A0A077Z1X2_TRITR Loading...

alpha-mannosidase

AlphaFold DB , UniProt , Accession A0A077Z1X2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,104 aa.

						>A0A077Z1X2_TRITR|A0A077Z1X2
MIEITCNDRLGKKVRIKCNPTDTIGDLKKLIAAQTGTRPEKVVLKKCVQWRLSTLINVAFEKMPMPKASLFKNERTTSERSQKFVSNVYFVDWNLRGRLYGPMAPVQLIYYNAGQQRISFNEAKAKLQSEGKSAYIGLEMGPTWSTHWFTVTCDIPSEWNGKIVHLVWNSGCEAMVWSTEGHPLQGLSGDAGKTTFELTKCADASKQGRYVLYLEVACNSRFGAGKGDVIAPAEPCLTFTVKTAQIAVFNENVYDLIMDFDVLNAMVSALPKDSPERYNAMYVANEMVNVASKWQPGSIESAHEIATKFLENAEGAHLDFRIYALGNCHIDTAWLWPFAETVRKCARSWSSVVRLMEDYADLHFACSQALQLSWMEEFYPSLFAQIRQKVHDGRFHIVGGSWVESDGCIPSGESLIRQHLYGQHYFLKAFGKYCTEAWLPDTFGYSGQLPQIYTACQMQHFMTQKLSWNVVNKFPNSSFIWRGIDGTEICAHLPPGDSYVMEVSVGDLMKTVNNFKDKGRTRSALLLYGYGDGGGGPDREMCERLKRSLRLPGGPLVKTGPPKLVFDHINANRSNMVTWVGELYLEMHNGTYTTHAMVKKSNRTCEFLLRDCEFLAFVLWLCSGKKQACRNFGAEWKLVLQNQFHDVLPGTCIELVYKDVMEMYSKVVANCNSFLKVSPDGRFFMNTLGWDRSVVVEQKCYVVPAFSIVAIDQAEVKADDSVEAKFSDNFLVLKNKFVEMEIDKHGHIVFLALPPDGRNLIAADKPANQFTVYDDVPLYWDAWDVMDYHLETRSLVGDVESELTLVTSTPACAVAEFKMRIGRESKLSQKITLRCRCPYVEFQTVVDWRESHKMLKVEFPLSLQSTEATYEIQFGHVRRPTHRNTSWDSAKYEVCAQKWADLSEWDSGVSVINDCKYGYSCYGNNLVLSLLRSSKSPDPNADMGVHSFTYALMPHRGRFQEATSPSPVSVIQAAYELNSPIRRIDFPADPKKDNLRPLKLLSVNNPLVVVEVVKISEKGDQLVLRLYESGGGHASAVITPICFEFKSFSLGYATEEPVSQVPVSNDGSIRLDLNPFEIMTIICDVEPLADVVSRYGNFFKLFTQ
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	70.1	Confident	77.7	Confident	157 Å²	157	99.7 Å²	99.7	77%	0.773	52%	0.519	S	S	*	.				0	140.3	0	-76.7	-157.6	-73.8	0	0	109.5	K17 C18	M1-K17 HydrophobicContact CE-CB 4.44Å; M1-K17 HydrophobicContact CE-CD 4.16Å; M1-K17 HydrophobicContact SD-CB 3.88Å; M1-C18 CarbonylContact C-O 3.45Å; M1-C18 VanDerWaalsContact CA-O 3.22Å; M1-C18 WeakPolarHBondContact CA-O 3.36Å
2	I	78.6	Confident	77.7	Confident	84 Å²	84	103.7 Å²	103.7	43%	0.431	53%	0.529	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	134.5	176.6	-54.3	174.7	0	0	0	106.7	I4 K17 C18 P20	I2-I4 HydrophobicContact CG2-CG1 4.29Å; I2-K17 WeakPolarHBondContact O-CA 3.48Å; I2-C18 PolarHBondContact N-O 2.88Å; I2-C18 PolarHBondContact O-N 3.46Å; I2-P20 HydrophobicContact CD1-CB 3.99Å; I2-P20 HydrophobicContact CD1-CG 3.99Å; I2-P20 HydrophobicContact CG1-CG 4.13Å
3	E	84.8	Confident	78.2	Confident	97 Å²	97	107.6 Å²	107.6	45%	0.453	54%	0.54	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	120.3	172.5	-173	169.7	117.7	0	0	109.5	R15 I16	E3-R15 HydrophobicContact CG-CB 4.37Å; E3-R15 WeakPolarHBondContact OE1-CD 3.09Å; E3-R15 IonicContact OE1-NH1 3.4Å; E3-R15 PolarHBondContact OE1-NH1 3.16Å; E3-I16 CarbonylContact C-O 2.93Å; E3-I16 WeakPolarHBondContact CA-O 3.39Å
4	I	82	Confident	78.6	Confident	57 Å²	57	101.7 Å²	101.7	29%	0.292	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	125.9	177.5	-57.7	-179.9	0	0	0	108.2	I2 I16 C18 L27	I2-I4 HydrophobicContact CG2-CG1 4.29Å; I4-I16 PolarHBondContact N-O 3.22Å; I4-I16 PolarHBondContact O-N 3.03Å; I4-C18 WeakPolarHBondContact CD1-SG 3.2Å; I4-L27 HydrophobicContact CD1-CD1 3.94Å; I4-L27 HydrophobicContact CD1-CD2 4.1Å
5	T	83.1	Confident	79.2	Confident	70 Å²	70	105.8 Å²	105.8	43%	0.429	52%	0.519	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	115	171.2	-59.6	0	0	0	0	109.7	K13 V14	T5-K13 HydrophobicContact CG2-CB 4.32Å; T5-K13 HydrophobicContact CG2-CG 4.11Å; T5-V14 WeakPolarHBondContact CA-O 3.42Å
6	C	80.6	Confident	79.7	Confident	24 Å²	24	99.4 Å²	99.4	16%	0.162	49%	0.488	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	127.8	173.3	-63.7	0	0	0	0	109.8	V14	C6-V14 PolarHBondContact N-O 2.67Å; C6-V14 PolarHBondContact O-N 3.32Å
7	N	79.9	Confident	80.2	Confident	103 Å²	103	101.1 Å²	101.1	55%	0.551	49%	0.492	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.2	128.5	171.5	-64.9	-44.2	0	0	0	109.1	K12 K13	N7-K12 WeakPolarHBondContact CA-O 3.25Å; N7-K13 WeakPolarHBondContact OD1-CG 3.36Å
8	D	78.8	Confident	80.5	Confident	78 Å²	78	96.1 Å²	96.1	42%	0.417	47%	0.468	S	S	.	.			trans	-79	176.5	167	76.4	11.2	0	0	0	111.7	L10 G11 K12	D8-L10 PolarHBondContact O-N 3.37Å; D8-L10 WeakPolarHBondContact OD1-CA 3.41Å; D8-L10 PolarHBondContact OD1-N 3.33Å; D8-G11 PolarHBondContact O-N 3.14Å; D8-G11 PolarHBondContact OD1-N 3.15Å; D8-K12 PolarHBondContact N-O 2.89Å; D8-K12 VanDerWaalsContact N-O 3.07Å; D8-K12 PolarHBondContact OD1-N 3.14Å; D8-K12 WeakPolarHBondContact OD2-CB 2.98Å
9	R	69.4	Low	80.7	Confident	210 Å²	210	95.1 Å²	95.1	79%	0.792	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-13.4	-179.3	-64.4	-167.6	-164.3	173.2	14.1	113.9	K45	R9-K45 VanDerWaalsContact CZ-NZ 3.34Å
10	L	74.5	Confident	80.6	Confident	164 Å²	164	95.3 Å²	95.3	86%	0.859	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.3	3	178.3	-61.4	175.8	0	0	0	111.8	D8	D8-L10 PolarHBondContact O-N 3.37Å; D8-L10 WeakPolarHBondContact OD1-CA 3.41Å; D8-L10 PolarHBondContact OD1-N 3.33Å
11	G	73.6	Confident	80.8	Confident	53 Å²	53	96.6 Å²	96.6	55%	0.546	49%	0.488	S	S	.	.			trans	85.7	8.4	178.3	0	0	0	0	0	114.6	D8 K13	D8-G11 PolarHBondContact O-N 3.14Å; D8-G11 PolarHBondContact OD1-N 3.15Å; G11-K13 PolarHBondContact O-N 3.49Å
12	K	77.6	Confident	81.4	Confident	147 Å²	147	91.8 Å²	91.8	64%	0.639	47%	0.465	S	S	*	.			trans	-74.5	123.8	176.2	-164.9	177.2	179.7	178.8	0	109.9	N7 D8	N7-K12 WeakPolarHBondContact CA-O 3.25Å; D8-K12 PolarHBondContact N-O 2.89Å; D8-K12 VanDerWaalsContact N-O 3.07Å; D8-K12 PolarHBondContact OD1-N 3.14Å; D8-K12 WeakPolarHBondContact OD2-CB 2.98Å
13	K	84.1	Confident	81.8	Confident	155 Å²	155	91.6 Å²	91.6	67%	0.674	47%	0.468	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90	128	179.1	-80.7	167.6	-177.1	-176.1	0	110.7	T5 N7 G11	T5-K13 HydrophobicContact CG2-CB 4.32Å; T5-K13 HydrophobicContact CG2-CG 4.11Å; N7-K13 WeakPolarHBondContact OD1-CG 3.36Å; G11-K13 PolarHBondContact O-N 3.49Å
14	V	83.2	Confident	81.6	Confident	25 Å²	25	92.8 Å²	92.8	15%	0.152	48%	0.476	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	123.6	173.6	-178.7	0	0	0	0	108.6	T5 C6 I16 Q34 T35	T5-V14 WeakPolarHBondContact CA-O 3.42Å; C6-V14 PolarHBondContact N-O 2.67Å; C6-V14 PolarHBondContact O-N 3.32Å; V14-I16 HydrophobicContact CG1-CD1 4.44Å; V14-I16 HydrophobicContact CG1-CG1 4.23Å; V14-Q34 HydrophobicContact CG1-CB 3.96Å; V14-Q34 HydrophobicContact CG1-CG 4.4Å; V14-T35 HydrophobicContact CG1-CG2 4.32Å; V14-T35 HydrophobicContact CG2-CG2 3.9Å
15	R	88.4	Confident	81.8	Confident	163 Å²	163	91.8 Å²	91.8	62%	0.615	48%	0.48	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.3	121.3	-178.6	-62.7	179.8	-175.3	-158.7	11.3	110.2	E3 Q34	E3-R15 HydrophobicContact CG-CB 4.37Å; E3-R15 WeakPolarHBondContact OE1-CD 3.09Å; E3-R15 IonicContact OE1-NH1 3.4Å; E3-R15 PolarHBondContact OE1-NH1 3.16Å; R15-Q34 PolarHBondContact O-NE2 3.47Å; R15-Q34 PolarHBondContact O-OE1 2.92Å; R15-Q34 VanDerWaalsContact O-OE1 3.05Å
16	I	86.6	Confident	82.1	Confident	3 Å²	3	90.9 Å²	90.9	2%	0.015	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	128.4	-175.4	-65.9	167.5	0	0	0	109	E3 I4 V14 L27 L30 I31	E3-I16 CarbonylContact C-O 2.93Å; E3-I16 WeakPolarHBondContact CA-O 3.39Å; I4-I16 PolarHBondContact N-O 3.22Å; I4-I16 PolarHBondContact O-N 3.03Å; V14-I16 HydrophobicContact CG1-CD1 4.44Å; V14-I16 HydrophobicContact CG1-CG1 4.23Å; I16-L27 HydrophobicContact CG2-CD1 4.17Å; I16-L30 HydrophobicContact CG2-CB 3.69Å; I16-L30 HydrophobicContact CG2-CD1 4.02Å; I16-L30 HydrophobicContact CG2-CG 4.44Å; I16-I31 VanDerWaalsContact CD1-CA 3.46Å; I16-I31 HydrophobicContact CD1-CB 3.78Å; I16-I31 HydrophobicContact CD1-CD1 4.29Å; I16-I31 HydrophobicContact CD1-CG1 3.04Å
17	K	87.7	Confident	82.4	Confident	129 Å²	129	91 Å²	91	56%	0.561	47%	0.471	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.4	121.7	168.7	-64.6	-178	-180	179.8	0	108.2	M1 I2	M1-K17 HydrophobicContact CE-CB 4.44Å; M1-K17 HydrophobicContact CE-CD 4.16Å; M1-K17 HydrophobicContact SD-CB 3.88Å; I2-K17 WeakPolarHBondContact O-CA 3.48Å
18	C	86.8	Confident	82.9	Confident	10 Å²	10	89 Å²	89	7%	0.068	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	162.6	176.4	69.4	0	0	0	0	110.5	M1 I2 I4 D22 L30	M1-C18 CarbonylContact C-O 3.45Å; M1-C18 VanDerWaalsContact CA-O 3.22Å; M1-C18 WeakPolarHBondContact CA-O 3.36Å; I2-C18 PolarHBondContact N-O 2.88Å; I2-C18 PolarHBondContact O-N 3.46Å; I4-C18 WeakPolarHBondContact CD1-SG 3.2Å; C18-D22 WeakPolarHBondContact CA-OD2 3.4Å; C18-D22 HydrophobicContact CB-CB 4.37Å; C18-D22 VanDerWaalsContact CB-OD2 3.27Å; C18-D22 WeakPolarHBondContact CB-OD2 3.45Å; C18-L30 HydrophobicContact CB-CD1 3.87Å
19	N	83.5	Confident	83.4	Confident	78 Å²	78	91.1 Å²	91.1	42%	0.417	46%	0.463	S	S	.	.			trans	-82.2	152.3	171.1	-71.3	-44.1	0	0	0	110.8	T21 D22	N19-T21 PolarHBondContact O-N 3.37Å; N19-D22 PolarHBondContact N-OD2 3Å; N19-D22 WeakPolarHBondContact O-CB 3.15Å; N19-D22 PolarHBondContact O-N 3.39Å; N19-D22 VanDerWaalsContact O-N 3.11Å
20	P	79.3	Confident	84.5	Confident	98 Å²	98	84.1 Å²	84.1	64%	0.636	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-19	175.7	-23.2	33	0	0	0	114.5	I2	I2-P20 HydrophobicContact CD1-CB 3.99Å; I2-P20 HydrophobicContact CD1-CG 3.99Å; I2-P20 HydrophobicContact CG1-CG 4.13Å
21	T	84.4	Confident	85.1	Confident	124 Å²	124	76.9 Å²	76.9	76%	0.761	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.1	-2.5	-178.7	53.7	0	0	0	0	113.8	N19	N19-T21 PolarHBondContact O-N 3.37Å
22	D	83.4	Confident	85.8	Confident	55 Å²	55	74.6 Å²	74.6	29%	0.294	38%	0.379	S	S	.	.			trans	-68	135.4	-178.4	-72.5	-14.1	0	0	0	110.9	C18 N19 D26	C18-D22 WeakPolarHBondContact CA-OD2 3.4Å; C18-D22 HydrophobicContact CB-CB 4.37Å; C18-D22 VanDerWaalsContact CB-OD2 3.27Å; C18-D22 WeakPolarHBondContact CB-OD2 3.45Å; N19-D22 PolarHBondContact N-OD2 3Å; N19-D22 WeakPolarHBondContact O-CB 3.15Å; N19-D22 PolarHBondContact O-N 3.39Å; N19-D22 VanDerWaalsContact O-N 3.11Å; D22-D26 HydrophobicContact CB-CB 4.12Å
23	T	85.7	Confident	86.3	Confident	81 Å²	81	71.7 Å²	71.7	50%	0.497	38%	0.382	S	S	.	.			trans	-76.6	166.9	178	71.5	0	0	0	0	111.3	G25 D26 L27	T23-G25 PolarHBondContact O-N 3.21Å; T23-G25 PolarHBondContact OG1-N 3.48Å; T23-D26 WeakPolarHBondContact CB-OD2 3.44Å; T23-D26 PolarHBondContact N-OD2 2.91Å; T23-D26 PolarHBondContact O-N 2.93Å; T23-D26 VanDerWaalsContact OG1-CG 3.28Å; T23-D26 PolarHBondContact OG1-N 3.31Å; T23-D26 PolarHBondContact OG1-OD2 3.39Å; T23-L27 PolarHBondContact O-N 3.21Å
24	I	82.4	Confident	86.3	Confident	122 Å²	122	69.7 Å²	69.7	63%	0.626	38%	0.376	S	S	*	.	H	α-helix	trans	-56.9	-33.8	170.7	-67.2	176.9	0	0	0	111.2	L27 K28 L44	I24-L27 PolarHBondContact O-N 3.29Å; I24-K28 WeakPolarHBondContact O-CG 3.37Å; I24-K28 PolarHBondContact O-N 3.47Å; I24-L44 HydrophobicContact CG2-CD1 3.99Å
25	G	85.8	Confident	86.3	Confident	35 Å²	35	71.2 Å²	71.2	36%	0.361	39%	0.385	S	S	.	.	H	α-helix	trans	-63.4	-42.4	175.3	0	0	0	0	0	112.1	T23 K28 K29	T23-G25 PolarHBondContact O-N 3.21Å; T23-G25 PolarHBondContact OG1-N 3.48Å; G25-K28 PolarHBondContact O-N 3.38Å; G25-K29 WeakPolarHBondContact O-CG 3.35Å; G25-K29 PolarHBondContact O-N 2.63Å; G25-K29 VanDerWaalsContact O-N 3.13Å
26	D	88.9	Confident	86.1	Confident	52 Å²	52	67.1 Å²	67.1	28%	0.278	39%	0.393	S	S	.	.	H	α-helix	trans	-69.5	-40.8	178	-55	-46.6	0	0	0	111.2	D22 T23 K28 K29 L30	D22-D26 HydrophobicContact CB-CB 4.12Å; T23-D26 WeakPolarHBondContact CB-OD2 3.44Å; T23-D26 PolarHBondContact N-OD2 2.91Å; T23-D26 PolarHBondContact O-N 2.93Å; T23-D26 VanDerWaalsContact OG1-CG 3.28Å; T23-D26 PolarHBondContact OG1-N 3.31Å; T23-D26 PolarHBondContact OG1-OD2 3.39Å; D26-K28 VanDerWaalsContact C-N 3.32Å; D26-K28 PolarHBondContact O-N 2.91Å; D26-K29 WeakPolarHBondContact O-CB 3.37Å; D26-K29 PolarHBondContact O-N 3.01Å; D26-K29 VanDerWaalsContact O-N 3.1Å; D26-K29 IonicContact OD1-NZ 3.74Å; D26-L30 WeakPolarHBondContact O-CG 3.41Å; D26-L30 PolarHBondContact O-N 3.23Å
27	L	86.8	Confident	86	Confident	25 Å²	25	70 Å²	70	13%	0.131	41%	0.411	C	S	.	.	H	α-helix	trans	-59.5	-41.8	173.9	-175	62.4	0	0	0	111.9	I4 I16 T23 I24 K29 L30 I31 L44	I4-L27 HydrophobicContact CD1-CD1 3.94Å; I4-L27 HydrophobicContact CD1-CD2 4.1Å; I16-L27 HydrophobicContact CG2-CD1 4.17Å; T23-L27 PolarHBondContact O-N 3.21Å; I24-L27 PolarHBondContact O-N 3.29Å; L27-K29 VanDerWaalsContact C-N 3.34Å; L27-K29 PolarHBondContact O-N 3.24Å; L27-L30 PolarHBondContact O-N 3.44Å; L27-I31 HydrophobicContact CG-CD1 4.12Å; L27-I31 VanDerWaalsContact O-CG1 3.26Å; L27-I31 WeakPolarHBondContact O-CG1 3.26Å; L27-I31 PolarHBondContact O-N 2.92Å; L27-L44 HydrophobicContact CD2-CD1 4.15Å
28	K	89.7	Confident	85.9	Confident	61 Å²	61	72.2 Å²	72.2	27%	0.265	42%	0.416	S	S	.	.	H	α-helix	trans	-62.9	-39	174.7	-75.6	-175.6	-179.8	-162.1	0	112.5	I24 G25 D26 I31 A32 V42 L44	I24-K28 WeakPolarHBondContact O-CG 3.37Å; I24-K28 PolarHBondContact O-N 3.47Å; G25-K28 PolarHBondContact O-N 3.38Å; D26-K28 VanDerWaalsContact C-N 3.32Å; D26-K28 PolarHBondContact O-N 2.91Å; K28-I31 PolarHBondContact O-N 3.1Å; K28-A32 WeakPolarHBondContact O-CB 3.37Å; K28-A32 PolarHBondContact O-N 3.13Å; K28-V42 HydrophobicContact CB-CB 4.36Å; K28-V42 HydrophobicContact CB-CG1 4.49Å; K28-V42 WeakPolarHBondContact CD-O 3.22Å; K28-V42 WeakPolarHBondContact CE-O 3.39Å; K28-V42 HydrophobicContact CG-CB 4.22Å; K28-V42 HydrophobicContact CG-CG1 4.11Å; K28-V42 PolarHBondContact NZ-O 2.92Å; K28-L44 HydrophobicContact CG-CD1 4.06Å; K28-L44 HydrophobicContact CG-CG 4.4Å
29	K	90.5	Very high	85.9	Confident	124 Å²	124	74 Å²	74	54%	0.539	43%	0.427	S	S	.	.	H	α-helix	trans	-64.8	-41.1	175.2	-69	171	-172.1	166.1	0	111.5	G25 D26 L27 A32 A33 P39	G25-K29 WeakPolarHBondContact O-CG 3.35Å; G25-K29 PolarHBondContact O-N 2.63Å; G25-K29 VanDerWaalsContact O-N 3.13Å; D26-K29 WeakPolarHBondContact O-CB 3.37Å; D26-K29 PolarHBondContact O-N 3.01Å; D26-K29 VanDerWaalsContact O-N 3.1Å; D26-K29 IonicContact OD1-NZ 3.74Å; L27-K29 VanDerWaalsContact C-N 3.34Å; L27-K29 PolarHBondContact O-N 3.24Å; K29-A32 WeakPolarHBondContact O-CB 3.27Å; K29-A32 PolarHBondContact O-N 3.04Å; K29-A33 WeakPolarHBondContact O-CB 3.38Å; K29-A33 PolarHBondContact O-N 2.88Å; K29-P39 HydrophobicContact CG-CB 4.12Å; K29-P39 HydrophobicContact CG-CG 4.07Å
30	L	90.9	Very high	86.1	Confident	63 Å²	63	76.5 Å²	76.5	33%	0.33	44%	0.436	S	S	.	.	H	α-helix	trans	-64.8	-43.3	176.1	-67.6	171.1	0	0	0	111.7	I16 C18 D26 L27 A33 Q34	I16-L30 HydrophobicContact CG2-CB 3.69Å; I16-L30 HydrophobicContact CG2-CD1 4.02Å; I16-L30 HydrophobicContact CG2-CG 4.44Å; C18-L30 HydrophobicContact CB-CD1 3.87Å; D26-L30 WeakPolarHBondContact O-CG 3.41Å; D26-L30 PolarHBondContact O-N 3.23Å; L27-L30 PolarHBondContact O-N 3.44Å; L30-A33 PolarHBondContact O-N 3.25Å; L30-Q34 PolarHBondContact O-N 2.88Å
31	I	88.2	Confident	86.4	Confident	11 Å²	11	79.3 Å²	79.3	6%	0.056	44%	0.439	C	S	.	.	H	α-helix	trans	-60.9	-48.3	173.6	-64.6	161	0	0	0	110.5	I16 L27 K28 A33 Q34 T35 V42 L44	I16-I31 VanDerWaalsContact CD1-CA 3.46Å; I16-I31 HydrophobicContact CD1-CB 3.78Å; I16-I31 HydrophobicContact CD1-CD1 4.29Å; I16-I31 HydrophobicContact CD1-CG1 3.04Å; L27-I31 HydrophobicContact CG-CD1 4.12Å; L27-I31 VanDerWaalsContact O-CG1 3.26Å; L27-I31 WeakPolarHBondContact O-CG1 3.26Å; L27-I31 PolarHBondContact O-N 2.92Å; K28-I31 PolarHBondContact O-N 3.1Å; I31-A33 VanDerWaalsContact C-N 3.35Å; I31-A33 PolarHBondContact O-N 3.22Å; I31-Q34 PolarHBondContact O-N 3.07Å; I31-T35 HydrophobicContact CG2-CG2 4.06Å; I31-T35 WeakPolarHBondContact O-CB 3.4Å; I31-T35 WeakPolarHBondContact O-CG2 3.49Å; I31-T35 PolarHBondContact O-N 3.05Å; I31-T35 PolarHBondContact O-OG1 3Å; I31-V42 HydrophobicContact CB-CG1 4.11Å; I31-V42 HydrophobicContact CD1-CG1 3.91Å; I31-V42 HydrophobicContact CG2-CG1 3.82Å; I31-V42 HydrophobicContact CG2-CG2 4.13Å; I31-L44 HydrophobicContact CD1-CD2 3.55Å; I31-L44 HydrophobicContact CD1-CG 4.38Å
32	A	88	Confident	86.4	Confident	5 Å²	5	74.1 Å²	74.1	4%	0.041	41%	0.407	C	S	.	.	H	α-helix	trans	-56.1	-47.9	179.6	0	0	0	0	0	112	K28 K29 Q34 T35 G36 T37 P39 V42	K28-A32 WeakPolarHBondContact O-CB 3.37Å; K28-A32 PolarHBondContact O-N 3.13Å; K29-A32 WeakPolarHBondContact O-CB 3.27Å; K29-A32 PolarHBondContact O-N 3.04Å; A32-Q34 VanDerWaalsContact C-N 3.33Å; A32-Q34 PolarHBondContact O-N 3.3Å; A32-T35 PolarHBondContact O-N 2.76Å; A32-T35 PolarHBondContact O-OG1 3.43Å; A32-G36 PolarHBondContact O-N 2.86Å; A32-T37 CarbonylContact C-O 3.49Å; A32-T37 VanDerWaalsContact CA-O 3.25Å; A32-T37 WeakPolarHBondContact CA-O 2.93Å; A32-T37 WeakPolarHBondContact CB-O 3.49Å; A32-T37 PolarHBondContact O-N 2.81Å; A32-T37 VanDerWaalsContact O-N 3.15Å; A32-P39 HydrophobicContact CB-CB 4.14Å; A32-P39 HydrophobicContact CB-CG 3.68Å; A32-V42 HydrophobicContact CB-CG2 4.21Å
33	A	87.5	Confident	86.3	Confident	86 Å²	86	76.6 Å²	76.6	71%	0.711	42%	0.423	S	S	*	.	H	α-helix	trans	-59.7	-41.4	178.1	0	0	0	0	0	112.5	K29 L30 I31	K29-A33 WeakPolarHBondContact O-CB 3.38Å; K29-A33 PolarHBondContact O-N 2.88Å; L30-A33 PolarHBondContact O-N 3.25Å; I31-A33 VanDerWaalsContact C-N 3.35Å; I31-A33 PolarHBondContact O-N 3.22Å
34	Q	85.1	Confident	86	Confident	114 Å²	114	75.9 Å²	75.9	53%	0.533	42%	0.416	S	S	.	.	H	α-helix	trans	-80.1	-23.1	-179.2	-117.3	178.1	2.7	0	0	114.1	V14 R15 L30 I31 A32	V14-Q34 HydrophobicContact CG1-CB 3.96Å; V14-Q34 HydrophobicContact CG1-CG 4.4Å; R15-Q34 PolarHBondContact O-NE2 3.47Å; R15-Q34 PolarHBondContact O-OE1 2.92Å; R15-Q34 VanDerWaalsContact O-OE1 3.05Å; L30-Q34 PolarHBondContact O-N 2.88Å; I31-Q34 PolarHBondContact O-N 3.07Å; A32-Q34 VanDerWaalsContact C-N 3.33Å; A32-Q34 PolarHBondContact O-N 3.3Å
35	T	83.2	Confident	85.4	Confident	57 Å²	57	77 Å²	77	35%	0.35	42%	0.417	S	S	.	.	H	α-helix	trans	-101.7	-6.4	-177.5	56.3	0	0	0	0	113.7	V14 I31 A32 T37	V14-T35 HydrophobicContact CG1-CG2 4.32Å; V14-T35 HydrophobicContact CG2-CG2 3.9Å; I31-T35 HydrophobicContact CG2-CG2 4.06Å; I31-T35 WeakPolarHBondContact O-CB 3.4Å; I31-T35 WeakPolarHBondContact O-CG2 3.49Å; I31-T35 PolarHBondContact O-N 3.05Å; I31-T35 PolarHBondContact O-OG1 3Å; A32-T35 PolarHBondContact O-N 2.76Å; A32-T35 PolarHBondContact O-OG1 3.43Å; T35-T37 PolarHBondContact O-N 3.11Å; T35-T37 WeakPolarHBondContact OG1-CB 3.47Å; T35-T37 PolarHBondContact OG1-OG1 2.86Å
36	G	84	Confident	84.3	Confident	76 Å²	76	84.1 Å²	84.1	78%	0.784	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	67	19.7	-172.7	0	0	0	0	0	113.6	A32	A32-G36 PolarHBondContact O-N 2.86Å
37	T	83.5	Confident	82.6	Confident	63 Å²	63	86.9 Å²	86.9	39%	0.387	46%	0.46	S	S	.	.			trans	-100.6	153.3	-178.6	-57.1	0	0	0	0	110.1	A32 T35 K41 V42	A32-T37 CarbonylContact C-O 3.49Å; A32-T37 VanDerWaalsContact CA-O 3.25Å; A32-T37 WeakPolarHBondContact CA-O 2.93Å; A32-T37 WeakPolarHBondContact CB-O 3.49Å; A32-T37 PolarHBondContact O-N 2.81Å; A32-T37 VanDerWaalsContact O-N 3.15Å; T35-T37 PolarHBondContact O-N 3.11Å; T35-T37 WeakPolarHBondContact OG1-CB 3.47Å; T35-T37 PolarHBondContact OG1-OG1 2.86Å; T37-K41 HydrophobicContact CG2-CB 3.74Å; T37-V42 HydrophobicContact CG2-CG2 4.2Å
38	R	86.2	Confident	80.9	Confident	177 Å²	177	90.9 Å²	90.9	67%	0.668	49%	0.485	S	S	*	.			trans	-73	138.5	172.4	-59.9	-171.2	-173.2	-179.7	-0.6	111	E40 K41	R38-E40 HydrophobicContact CB-CG 4.24Å; R38-E40 WeakPolarHBondContact CB-OE1 3.4Å; R38-E40 WeakPolarHBondContact CD-OE1 3.48Å; R38-E40 PolarHBondContact O-N 2.8Å; R38-E40 VanDerWaalsContact O-N 3.14Å; R38-K41 HydrophobicContact CB-CG 4.33Å; R38-K41 WeakPolarHBondContact O-CB 3.39Å; R38-K41 PolarHBondContact O-N 3.05Å
39	P	86.9	Confident	78.6	Confident	48 Å²	48	96 Å²	96	31%	0.312	51%	0.51	S	S	.	.	G	3₁₀ helix	trans	-52.6	-37.7	-177.6	-25.5	32.8	0	0	0	114.2	K29 A32 K41 V42	K29-P39 HydrophobicContact CG-CB 4.12Å; K29-P39 HydrophobicContact CG-CG 4.07Å; A32-P39 HydrophobicContact CB-CB 4.14Å; A32-P39 HydrophobicContact CB-CG 3.68Å; P39-K41 VanDerWaalsContact C-N 3.25Å; P39-K41 PolarHBondContact O-N 2.91Å; P39-V42 PolarHBondContact O-N 2.76Å; P39-V42 VanDerWaalsContact O-N 3.16Å
40	E	87.4	Confident	75.9	Confident	130 Å²	130	101.3 Å²	101.3	61%	0.607	53%	0.527	S	S	*	.	G	3₁₀ helix	trans	-65.8	-23	177.3	58.6	-89.4	-166.1	0	0	114.2	R38	R38-E40 HydrophobicContact CB-CG 4.24Å; R38-E40 WeakPolarHBondContact CB-OE1 3.4Å; R38-E40 WeakPolarHBondContact CD-OE1 3.48Å; R38-E40 PolarHBondContact O-N 2.8Å; R38-E40 VanDerWaalsContact O-N 3.14Å
41	K	86.1	Confident	73.1	Confident	157 Å²	157	109.7 Å²	109.7	68%	0.683	55%	0.554	S	S	*	*	G	3₁₀ helix	trans	-86	-12.6	176.5	-66.5	-84.4	-176.2	173.4	0	112.4	T37 R38 P39 V43	T37-K41 HydrophobicContact CG2-CB 3.74Å; R38-K41 HydrophobicContact CB-CG 4.33Å; R38-K41 WeakPolarHBondContact O-CB 3.39Å; R38-K41 PolarHBondContact O-N 3.05Å; P39-K41 VanDerWaalsContact C-N 3.25Å; P39-K41 PolarHBondContact O-N 2.91Å; K41-V43 PolarHBondContact O-N 3.06Å
42	V	83.9	Confident	70.3	Confident	15 Å²	15	116.5 Å²	116.5	9%	0.091	59%	0.59	C	S	.	*			trans	-78.5	105.1	177.8	-177.5	0	0	0	0	109.4	K28 I31 A32 T37 P39	K28-V42 HydrophobicContact CB-CB 4.36Å; K28-V42 HydrophobicContact CB-CG1 4.49Å; K28-V42 WeakPolarHBondContact CD-O 3.22Å; K28-V42 WeakPolarHBondContact CE-O 3.39Å; K28-V42 HydrophobicContact CG-CB 4.22Å; K28-V42 HydrophobicContact CG-CG1 4.11Å; K28-V42 PolarHBondContact NZ-O 2.92Å; I31-V42 HydrophobicContact CB-CG1 4.11Å; I31-V42 HydrophobicContact CD1-CG1 3.91Å; I31-V42 HydrophobicContact CG2-CG1 3.82Å; I31-V42 HydrophobicContact CG2-CG2 4.13Å; A32-V42 HydrophobicContact CB-CG2 4.21Å; T37-V42 HydrophobicContact CG2-CG2 4.2Å; P39-V42 PolarHBondContact O-N 2.76Å; P39-V42 VanDerWaalsContact O-N 3.16Å
43	V	82.1	Confident	67.5	Low	106 Å²	106	121.4 Å²	121.4	64%	0.642	62%	0.624	S	S	*	*			trans	-101.4	103.8	175	-175.9	0	0	0	0	109.4	K41 K45	K41-V43 PolarHBondContact O-N 3.06Å; V43-K45 HydrophobicContact CG1-CG 4.26Å; V43-K45 PolarHBondContact O-N 3.44Å; V43-K45 VanDerWaalsContact O-N 3.14Å
44	L	78	Confident	64.7	Low	67 Å²	67	123.3 Å²	123.3	35%	0.351	63%	0.627	S	S	.	*			trans	-73.8	100.2	172.7	-68.5	173.3	0	0	0	109.1	I24 L27 K28 I31	I24-L44 HydrophobicContact CG2-CD1 3.99Å; L27-L44 HydrophobicContact CD2-CD1 4.15Å; K28-L44 HydrophobicContact CG-CD1 4.06Å; K28-L44 HydrophobicContact CG-CG 4.4Å; I31-L44 HydrophobicContact CD1-CD2 3.55Å; I31-L44 HydrophobicContact CD1-CG 4.38Å
45	K	71	Confident	62.1	Low	146 Å²	146	125.6 Å²	125.6	64%	0.635	64%	0.641	S	S	*	*			trans	-79.1	-23.4	-175.8	-77.9	-159.2	164.2	-164.4	0	114.8	R9 V43	R9-K45 VanDerWaalsContact CZ-NZ 3.34Å; V43-K45 HydrophobicContact CG1-CG 4.26Å; V43-K45 PolarHBondContact O-N 3.44Å; V43-K45 VanDerWaalsContact O-N 3.14Å
46	K	62.2	Low	59.8	Low	184 Å²	184	129 Å²	129	80%	0.8	66%	0.657	S	S	*	*			trans	-154	114.3	-176.1	-132.6	174.8	-178.7	-179.5	0	108.5
47	C	53.6	Low	57.3	Low	110 Å²	110	133.2 Å²	133.2	74%	0.743	66%	0.661	S	S	*	*			trans	-97.5	116.5	166.2	-173.8	0	0	0	0	106.6
48	V	50.2	Low	55	Low	108 Å²	108	136.4 Å²	136.4	66%	0.655	68%	0.68	S	S	*	*			trans	-97.3	88.7	173.2	-174	0	0	0	0	106.7
49	Q	41.9	Very low	52.6	Low	170 Å²	170	132.4 Å²	132.4	79%	0.794	69%	0.685	S	S	*	*			trans	-86.7	107.6	175.6	-156	176.1	8.3	0	0	107.8	R51	Q49-R51 PolarHBondContact O-N 3.28Å
50	W	34.9	Very low	50.2	Low	235 Å²	235	137.5 Å²	137.5	89%	0.89	70%	0.702	S	S	*	*			trans	-81	96.5	167.5	-77.6	84.6	0	0	0	108.1
51	R	31.3	Very low	47.8	Very low	238 Å²	238	140.1 Å²	140.1	90%	0.898	71%	0.714	S	S	*	*			trans	-160.6	141.6	151.2	-110.3	170.9	-163.8	-159.4	3.1	111.9	Q49	Q49-R51 PolarHBondContact O-N 3.28Å
52	L	29.3	Very low	45.8	Very low	155 Å²	155	142.2 Å²	142.2	81%	0.812	72%	0.724	S	S	*	*			trans	-61.2	149	-166.6	-80.9	85	0	0	0	115.3
53	S	29.7	Very low	43.9	Very low	108 Å²	108	148.4 Å²	148.4	76%	0.755	75%	0.753	S	S	*	*			trans	64.7	129.5	146.5	72.9	0	0	0	0	115.8
54	T	29.2	Very low	42.5	Very low	126 Å²	126	149.2 Å²	149.2	77%	0.773	76%	0.761	S	S	*	*			cis	-167.2	161.2	29.3	-46.3	0	0	0	0	107.1
55	L	28.5	Very low	41.4	Very low	161 Å²	161	153.5 Å²	153.5	84%	0.843	78%	0.781	S	S	*	*			trans	104.8	64.9	169.4	-60.8	161.1	0	0	0	116.4
56	I	36	Very low	41.1	Very low	130 Å²	130	152.8 Å²	152.8	67%	0.667	79%	0.791	S	S	*	*			trans	-137.9	87.8	133.5	-57.4	-176.7	0	0	0	107.4
57	N	31.1	Very low	41.3	Very low	164 Å²	164	153.5 Å²	153.5	88%	0.877	79%	0.794	S	S	*	*			trans	-92.1	113.6	145.7	-95.1	-21.2	0	0	0	104.9
58	V	35.4	Very low	42.2	Very low	130 Å²	130	152 Å²	152	79%	0.788	79%	0.79	S	S	*	*	S	Bend	trans	144.1	111.2	160.2	171.4	0	0	0	0	107.6
59	A	35.4	Very low	43.4	Very low	93 Å²	93	150.7 Å²	150.7	77%	0.769	79%	0.785	S	S	*	*	S	Bend	trans	84.1	43.1	169.8	0	0	0	0	0	120.5
60	F	36.9	Very low	45.1	Very low	155 Å²	155	150.4 Å²	150.4	68%	0.68	79%	0.788	S	S	*	*			trans	-115.2	25.5	161.3	-97.8	-76.4	0	0	0	114.2	K62 M63	F60-K62 PolarHBondContact O-N 3.43Å; F60-M63 HydrophobicContact CE1-CG 4.5Å; F60-M63 HydrophobicContact CE1-SD 3.95Å
61	E	36.5	Very low	47.3	Very low	184 Å²	184	146.5 Å²	146.5	86%	0.86	78%	0.778	S	S	*	*	S	Bend	trans	-80.6	113.3	162	-74.4	-175.5	159.9	0	0	108.8
62	K	44.4	Very low	49.7	Very low	202 Å²	202	138 Å²	138	88%	0.878	75%	0.748	S	S	*	*			trans	92.8	39.6	169.6	-51.1	179.3	179.6	176.8	0	119.7	F60	F60-K62 PolarHBondContact O-N 3.43Å
63	M	45.2	Very low	52.6	Low	145 Å²	145	134 Å²	134	71%	0.714	73%	0.727	S	S	*	*			trans	-84.5	120.3	142.5	-80.2	-169	91.8	0	0	107.6	F60 M65	F60-M63 HydrophobicContact CE1-CG 4.5Å; F60-M63 HydrophobicContact CE1-SD 3.95Å; M63-M65 PolarHBondContact O-N 2.78Å
64	P	51.2	Low	55.4	Low	123 Å²	123	131.5 Å²	131.5	80%	0.799	70%	0.703	S	S	*	*			trans	-60.4	114.7	172.8	23.6	-29	0	0	0	107.2
65	M	55.5	Low	58.3	Low	157 Å²	157	133.8 Å²	133.8	77%	0.773	70%	0.698	S	S	*	*			trans	-47.1	132.2	169.3	-78.1	-107.8	-73.1	0	0	107.7	M63 K67	M63-M65 PolarHBondContact O-N 2.78Å; M65-K67 PolarHBondContact O-N 2.97Å
66	P	64.2	Low	61.3	Low	131 Å²	131	130.5 Å²	130.5	85%	0.851	69%	0.685	S	S	*	*			trans	-55.6	105.2	174.9	20.1	-28.9	0	0	0	107.9
67	K	67.5	Low	64.1	Low	199 Å²	199	124.6 Å²	124.6	87%	0.865	66%	0.655	S	S	*	*	P	Polyproline II helix	trans	-79.9	129.1	178	-72.6	-172.1	178.7	-177.3	0	107	M65	M65-K67 PolarHBondContact O-N 2.97Å
68	A	71	Confident	67	Low	79 Å²	79	117.6 Å²	117.6	65%	0.653	62%	0.618	S	S	*	*	P	Polyproline II helix	trans	-55	146.4	167.4	0	0	0	0	0	109.1	L70	A68-L70 PolarHBondContact O-N 3.16Å
69	S	76.9	Confident	69.9	Low	79 Å²	79	114 Å²	114	55%	0.552	59%	0.593	S	S	*	*	P	Polyproline II helix	trans	-50.5	136.1	175.6	-175.2	0	0	0	0	110.4	F71	S69-F71 PolarHBondContact O-N 3.43Å; S69-F71 WeakPolarHBondContact OG-CB 3.37Å; S69-F71 PolarHBondContact OG-N 3.08Å; S69-F71 VanDerWaalsContact OG-N 3.08Å
70	L	77.2	Confident	72.7	Confident	164 Å²	164	113.5 Å²	113.5	86%	0.859	57%	0.571	S	S	*	*	S	Bend	trans	-67.3	-22.9	168.9	-67.9	176.3	0	0	0	111	A68 K72	A68-L70 PolarHBondContact O-N 3.16Å; L70-K72 PolarHBondContact O-N 3.36Å; L70-K72 VanDerWaalsContact O-N 3.16Å
71	F	80.6	Confident	75.5	Confident	154 Å²	154	106.2 Å²	106.2	68%	0.675	54%	0.539	S	S	*	.			trans	-71.7	106.5	169	180	-98.1	0	0	0	109.8	S69 N73	S69-F71 PolarHBondContact O-N 3.43Å; S69-F71 WeakPolarHBondContact OG-CB 3.37Å; S69-F71 PolarHBondContact OG-N 3.08Å; S69-F71 VanDerWaalsContact OG-N 3.08Å; F71-N73 HydrophobicContact CE1-CB 4.2Å
72	K	82.5	Confident	78.4	Confident	59 Å²	59	101 Å²	101	26%	0.257	52%	0.515	S	S	.	.			trans	-91.7	114.7	170.9	-63.4	-67.8	-177.1	160.6	0	109.4	L70 E74 M281 Y282 N285	L70-K72 PolarHBondContact O-N 3.36Å; L70-K72 VanDerWaalsContact O-N 3.16Å; K72-E74 PolarHBondContact O-N 3.36Å; K72-M281 HydrophobicContact CB-CE 4.33Å; K72-Y282 HydrophobicContact CB-CE1 3.95Å; K72-Y282 HydrophobicContact CG-CD1 4.09Å; K72-Y282 HydrophobicContact CG-CE1 3.3Å; K72-N285 PolarHBondContact NZ-ND2 3.27Å
73	N	89.1	Confident	80.8	Confident	72 Å²	72	94.7 Å²	94.7	39%	0.385	49%	0.488	S	S	.	.			trans	-71.6	129.3	169.6	172.5	-85.2	0	0	0	109.3	F71 R75 T76 T77	F71-N73 HydrophobicContact CE1-CB 4.2Å; N73-R75 PolarHBondContact O-N 3.14Å; N73-R75 PolarHBondContact OD1-N 3.48Å; N73-T76 HydrophobicContact CB-CG2 4.47Å; N73-T76 WeakPolarHBondContact CB-OG1 3.44Å; N73-T76 PolarHBondContact O-N 3.18Å; N73-T76 PolarHBondContact O-OG1 3.1Å; N73-T76 PolarHBondContact OD1-N 3.04Å; N73-T76 VanDerWaalsContact OD1-N 3.1Å; N73-T77 WeakPolarHBondContact O-CB 3.47Å; N73-T77 PolarHBondContact O-N 2.74Å; N73-T77 PolarHBondContact O-OG1 3.42Å
74	E	88.9	Confident	83.3	Confident	54 Å²	54	87.8 Å²	87.8	25%	0.252	45%	0.454	S	S	.	.	H	α-helix	trans	-54.7	-55.2	-174	-175.7	177.4	-178.3	0	0	112.5	K72 T76 T77 S78 R277 M281	K72-E74 PolarHBondContact O-N 3.36Å; E74-T76 PolarHBondContact O-N 3.45Å; E74-T77 PolarHBondContact O-N 3.49Å; E74-T77 VanDerWaalsContact O-N 3.16Å; E74-S78 PolarHBondContact O-N 2.97Å; E74-S78 PolarHBondContact O-OG 3.45Å; E74-R277 IonicContact OE1-CZ 2.69Å; E74-R277 IonicContact OE1-NE 3.45Å; E74-R277 PolarHBondContact OE1-NE 3.33Å; E74-R277 IonicContact OE1-NH2 2.76Å; E74-R277 PolarHBondContact OE1-NH2 3.16Å; E74-M281 HydrophobicContact CB-SD 4.23Å; E74-M281 HydrophobicContact CG-SD 3.99Å
75	R	90.8	Very high	85.4	Confident	174 Å²	174	82.8 Å²	82.8	66%	0.657	42%	0.421	S	S	*	.	H	α-helix	trans	-56.5	-50.3	-179.1	179.9	-179.8	178.2	178.3	2.2	112.2	N73 T77 S78 E79	N73-R75 PolarHBondContact O-N 3.14Å; N73-R75 PolarHBondContact OD1-N 3.48Å; R75-T77 PolarHBondContact O-N 2.9Å; R75-S78 PolarHBondContact O-OG 3.49Å; R75-E79 HydrophobicContact CG-CG 4.43Å; R75-E79 WeakPolarHBondContact CG-OE1 3.36Å; R75-E79 IonicContact CZ-OE1 3.43Å; R75-E79 IonicContact NE-OE1 3.78Å; R75-E79 PolarHBondContact NE-OE1 3.36Å; R75-E79 IonicContact NH2-OE1 3.68Å; R75-E79 WeakPolarHBondContact O-CB 3.37Å; R75-E79 WeakPolarHBondContact O-CG 3.38Å; R75-E79 PolarHBondContact O-N 3.38Å
76	T	91.9	Very high	87.3	Confident	93 Å²	93	76.4 Å²	76.4	57%	0.571	39%	0.391	S	S	*	.	H	α-helix	trans	-66.1	-30.5	-177.3	59.5	0	0	0	0	112.7	N73 E74 R80	N73-T76 HydrophobicContact CB-CG2 4.47Å; N73-T76 WeakPolarHBondContact CB-OG1 3.44Å; N73-T76 PolarHBondContact O-N 3.18Å; N73-T76 PolarHBondContact O-OG1 3.1Å; N73-T76 PolarHBondContact OD1-N 3.04Å; N73-T76 VanDerWaalsContact OD1-N 3.1Å; E74-T76 PolarHBondContact O-N 3.45Å; T76-R80 PolarHBondContact O-N 3.03Å
77	T	93.3	Very high	88.5	Confident	6 Å²	6	75.7 Å²	75.7	4%	0.037	38%	0.381	C	S	.	.	H	α-helix	trans	-81	-43.2	-177	-51.4	0	0	0	0	110.7	N73 E74 R75 R80 S81 M281 N285	N73-T77 WeakPolarHBondContact O-CB 3.47Å; N73-T77 PolarHBondContact O-N 2.74Å; N73-T77 PolarHBondContact O-OG1 3.42Å; E74-T77 PolarHBondContact O-N 3.49Å; E74-T77 VanDerWaalsContact O-N 3.16Å; R75-T77 PolarHBondContact O-N 2.9Å; T77-R80 WeakPolarHBondContact O-CB 3.41Å; T77-R80 PolarHBondContact O-N 2.74Å; T77-S81 PolarHBondContact O-N 3.48Å; T77-M281 HydrophobicContact CG2-CE 4.39Å; T77-M281 HydrophobicContact CG2-CG 3.68Å; T77-M281 HydrophobicContact CG2-SD 4.09Å; T77-N285 HydrophobicContact CG2-CB 3.59Å
78	S	92.7	Very high	89.8	Confident	16 Å²	16	71.6 Å²	71.6	11%	0.112	37%	0.372	C	S	.	.	H	α-helix	trans	-69.2	-42.5	177.6	79.1	0	0	0	0	112.4	E74 R75 R80 S81 Q82	E74-S78 PolarHBondContact O-N 2.97Å; E74-S78 PolarHBondContact O-OG 3.45Å; R75-S78 PolarHBondContact O-OG 3.49Å; S78-R80 PolarHBondContact O-N 3.07Å; S78-S81 PolarHBondContact O-N 3.47Å; S78-S81 PolarHBondContact O-OG 2.79Å; S78-Q82 VanDerWaalsContact O-CG 3.3Å; S78-Q82 WeakPolarHBondContact O-CG 3.3Å; S78-Q82 PolarHBondContact O-N 2.89Å
79	E	95.2	Very high	90.9	Very high	54 Å²	54	74.3 Å²	74.3	25%	0.252	37%	0.366	S	S	.	.	H	α-helix	trans	-63.2	-29.4	178.5	-78	-171.2	-149.8	0	0	111.4	R75 K83	R75-E79 HydrophobicContact CG-CG 4.43Å; R75-E79 WeakPolarHBondContact CG-OE1 3.36Å; R75-E79 IonicContact CZ-OE1 3.43Å; R75-E79 IonicContact NE-OE1 3.78Å; R75-E79 PolarHBondContact NE-OE1 3.36Å; R75-E79 IonicContact NH2-OE1 3.68Å; R75-E79 WeakPolarHBondContact O-CB 3.37Å; R75-E79 WeakPolarHBondContact O-CG 3.38Å; R75-E79 PolarHBondContact O-N 3.38Å; E79-K83 VanDerWaalsContact O-CB 3.3Å; E79-K83 WeakPolarHBondContact O-CB 3.47Å; E79-K83 WeakPolarHBondContact O-CD 3.43Å; E79-K83 WeakPolarHBondContact O-CG 3.29Å; E79-K83 PolarHBondContact O-N 3.48Å; E79-K83 IonicContact OE2-NZ 2.8Å; E79-K83 PolarHBondContact OE2-NZ 3.27Å
80	R	95.4	Very high	91.8	Very high	84 Å²	84	76 Å²	76	32%	0.317	36%	0.364	S	S	.	.	H	α-helix	trans	-64.5	-49.3	176.5	-177.8	-175	179.4	-138.4	0.8	111.3	T76 T77 S78 K83 F84 N285 N289	T76-R80 PolarHBondContact O-N 3.03Å; T77-R80 WeakPolarHBondContact O-CB 3.41Å; T77-R80 PolarHBondContact O-N 2.74Å; S78-R80 PolarHBondContact O-N 3.07Å; R80-K83 PolarHBondContact O-N 3.2Å; R80-F84 PolarHBondContact O-N 3.35Å; R80-N285 PolarHBondContact NH1-O 2.81Å; R80-N285 PolarHBondContact NH1-OD1 3.09Å; R80-N289 VanDerWaalsContact CZ-OD1 3.32Å; R80-N289 PolarHBondContact NH1-OD1 3.1Å; R80-N289 PolarHBondContact NH2-OD1 3.44Å
81	S	95.9	Very high	92.5	Very high	1 Å²	1	70.8 Å²	70.8	1%	0.007	34%	0.339	C	S	.	.	H	α-helix	trans	-67.6	-39.5	178.7	51.3	0	0	0	0	111.6	T77 S78 K83 F84 N264	T77-S81 PolarHBondContact O-N 3.48Å; S78-S81 PolarHBondContact O-N 3.47Å; S78-S81 PolarHBondContact O-OG 2.79Å; S81-K83 PolarHBondContact O-N 2.92Å; S81-F84 WeakPolarHBondContact O-CB 3.21Å; S81-F84 PolarHBondContact O-N 3.38Å; S81-F84 VanDerWaalsContact O-N 3.16Å; S81-N264 VanDerWaalsContact CB-OD1 3.3Å; S81-N264 WeakPolarHBondContact CB-OD1 3.37Å; S81-N264 PolarHBondContact OG-OD1 3.29Å
82	Q	96.1	Very high	93	Very high	74 Å²	74	70 Å²	70	35%	0.346	34%	0.342	S	S	.	.	H	α-helix	trans	-59.7	-44.8	174.6	-70.4	171	-6.6	0	0	112.3	S78 F84 V85 S86 N264	S78-Q82 VanDerWaalsContact O-CG 3.3Å; S78-Q82 WeakPolarHBondContact O-CG 3.3Å; S78-Q82 PolarHBondContact O-N 2.89Å; Q82-F84 PolarHBondContact O-N 2.87Å; Q82-V85 PolarHBondContact O-N 2.97Å; Q82-S86 PolarHBondContact O-N 3.03Å; Q82-N264 HydrophobicContact CG-CB 4.29Å
83	K	95.9	Very high	93.5	Very high	70 Å²	70	72.1 Å²	72.1	30%	0.304	35%	0.348	S	S	.	.	H	α-helix	trans	-68.5	-22.8	178	-72.8	165.2	-172.8	166.7	0	112.8	E79 R80 S81 V85 F90 N94	E79-K83 VanDerWaalsContact O-CB 3.3Å; E79-K83 WeakPolarHBondContact O-CB 3.47Å; E79-K83 WeakPolarHBondContact O-CD 3.43Å; E79-K83 WeakPolarHBondContact O-CG 3.29Å; E79-K83 PolarHBondContact O-N 3.48Å; E79-K83 IonicContact OE2-NZ 2.8Å; E79-K83 PolarHBondContact OE2-NZ 3.27Å; R80-K83 PolarHBondContact O-N 3.2Å; S81-K83 PolarHBondContact O-N 2.92Å; K83-V85 VanDerWaalsContact C-N 3.26Å; K83-V85 PolarHBondContact O-N 3.17Å; K83-F90 HydrophobicContact CB-CD2 4.12Å; K83-F90 HydrophobicContact CB-CE2 4.06Å; K83-F90 HydrophobicContact CD-CE2 4.07Å; K83-F90 HydrophobicContact CG-CE2 4.32Å; K83-N94 PolarHBondContact O-ND2 2.74Å
84	F	96.8	Very high	93.9	Very high	1 Å²	1	68.7 Å²	68.7	0%	0.004	33%	0.33	C	S	.	.	H	α-helix	trans	-73.2	-16.1	176.5	-162.1	-118.7	0	0	0	113.9	R80 S81 Q82 W93 N94 L95 F260 V288 A291 W294	R80-F84 PolarHBondContact O-N 3.35Å; S81-F84 WeakPolarHBondContact O-CB 3.21Å; S81-F84 PolarHBondContact O-N 3.38Å; S81-F84 VanDerWaalsContact O-N 3.16Å; Q82-F84 PolarHBondContact O-N 2.87Å; F84-W93 HydrophobicContact CD2-CE3 4.11Å; F84-W93 AromaticContact CD2-CH2 3.68Å; F84-W93 HydrophobicContact CD2-CH2 3.68Å; F84-W93 AromaticContact CD2-CZ3 3.44Å; F84-W93 HydrophobicContact CD2-CZ3 3.44Å; F84-W93 VanDerWaalsContact CD2-CZ3 3.44Å; F84-W93 HydrophobicContact CE2-CE3 4.27Å; F84-W93 AromaticContact CE2-CH2 3.67Å; F84-W93 HydrophobicContact CE2-CH2 3.67Å; F84-W93 HydrophobicContact CE2-CZ2 4.1Å; F84-W93 AromaticContact CE2-CZ3 3.78Å; F84-W93 HydrophobicContact CE2-CZ3 3.78Å; F84-N94 HydrophobicContact CD2-CB 4.49Å; F84-N94 VanDerWaalsContact O-CB 3.3Å; F84-N94 WeakPolarHBondContact O-CB 3.12Å; F84-L95 HydrophobicContact CD1-CD1 3.66Å; F84-L95 HydrophobicContact CD1-CG 3.88Å; F84-L95 HydrophobicContact CE1-CD1 3.55Å; F84-L95 HydrophobicContact CE1-CD2 4.09Å; F84-L95 HydrophobicContact CE1-CG 3.53Å; F84-L95 HydrophobicContact CZ-CD2 4.41Å; F84-L95 HydrophobicContact CZ-CG 4.08Å; F84-L95 PolarHBondContact O-N 3.22Å; F84-F260 HydrophobicContact CD1-CD2 4.42Å; F84-F260 AromaticContact CD1-CE2 3.68Å; F84-F260 HydrophobicContact CD1-CE2 3.68Å; F84-F260 AromaticContact CD1-CZ 3.8Å; F84-F260 HydrophobicContact CD1-CZ 3.8Å; F84-F260 HydrophobicContact CE1-CE2 4.05Å; F84-F260 HydrophobicContact CE1-CZ 4.31Å; F84-V288 HydrophobicContact CB-CG2 4.07Å; F84-V288 HydrophobicContact CD1-CG1 4.41Å; F84-V288 HydrophobicContact CD1-CG2 3.95Å; F84-V288 HydrophobicContact CD2-CG1 4.13Å; F84-V288 HydrophobicContact CE2-CG1 4.38Å; F84-V288 HydrophobicContact CG-CG1 4.14Å; F84-V288 HydrophobicContact CG-CG2 4.04Å; F84-A291 HydrophobicContact CE1-CB 3.75Å; F84-A291 HydrophobicContact CZ-CB 3.96Å; F84-W294 HydrophobicContact CE1-CH2 4.44Å; F84-W294 AromaticContact CE2-CH2 3.93Å; F84-W294 HydrophobicContact CE2-CH2 3.93Å; F84-W294 AromaticContact CE2-CZ2 3.64Å; F84-W294 HydrophobicContact CE2-CZ2 3.64Å; F84-W294 AromaticContact CZ-CH2 3.51Å; F84-W294 HydrophobicContact CZ-CH2 3.51Å; F84-W294 AromaticContact CZ-CZ2 3.61Å; F84-W294 HydrophobicContact CZ-CZ2 3.61Å
85	V	96.1	Very high	94.2	Very high	18 Å²	18	66.1 Å²	66.1	11%	0.109	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122.1	15.1	175.6	-65.5	0	0	0	0	113.2	Q82 K83 L95 R96 I257 F260	Q82-V85 PolarHBondContact O-N 2.97Å; K83-V85 VanDerWaalsContact C-N 3.26Å; K83-V85 PolarHBondContact O-N 3.17Å; V85-L95 HydrophobicContact CG1-CB 4.44Å; V85-L95 HydrophobicContact CG1-CD1 3.84Å; V85-R96 WeakPolarHBondContact O-CG 3.49Å; V85-R96 PolarHBondContact O-NE 3.47Å; V85-I257 HydrophobicContact CG1-CB 4.49Å; V85-I257 HydrophobicContact CG1-CG1 4.09Å; V85-F260 HydrophobicContact CB-CB 4.46Å; V85-F260 HydrophobicContact CG1-CB 3.58Å; V85-F260 HydrophobicContact CG1-CD2 3.72Å; V85-F260 HydrophobicContact CG1-CG 3.79Å; V85-F260 HydrophobicContact CG2-CB 4.14Å
86	S	94.9	Very high	94.4	Very high	22 Å²	22	60.7 Å²	60.7	15%	0.154	30%	0.297	C	S	.	.			trans	-72	137.2	-177.7	-177.9	0	0	0	0	112.2	Q82 V88 Y89 N94	Q82-S86 PolarHBondContact O-N 3.03Å; S86-V88 PolarHBondContact O-N 3.21Å; S86-V88 PolarHBondContact OG-N 2.61Å; S86-V88 VanDerWaalsContact OG-N 3.11Å; S86-Y89 WeakPolarHBondContact OG-CD2 3.39Å; S86-Y89 PolarHBondContact OG-N 3Å; S86-N94 PolarHBondContact O-ND2 3.15Å
87	N	90.8	Very high	94.4	Very high	117 Å²	117	58 Å²	58	63%	0.626	29%	0.289	S	S	*	.	S	Bend	trans	-71.9	-8.5	170	-69.7	-32.3	0	0	0	113.4	V91 R96	N87-V91 WeakPolarHBondContact O-CG2 3.22Å; N87-R96 WeakPolarHBondContact OD1-CD 3.29Å; N87-R96 WeakPolarHBondContact OD1-CG 3.37Å; N87-R96 PolarHBondContact OD1-NE 3.49Å
88	V	93.7	Very high	94.4	Very high	112 Å²	112	61.3 Å²	61.3	68%	0.679	30%	0.3	S	S	*	.	S	Bend	trans	-121	-45	-172.1	-178.6	0	0	0	0	111.7	S86	S86-V88 PolarHBondContact O-N 3.21Å; S86-V88 PolarHBondContact OG-N 2.61Å; S86-V88 VanDerWaalsContact OG-N 3.11Å
89	Y	94.7	Very high	94.5	Very high	137 Å²	137	61.2 Å²	61.2	54%	0.537	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	127.2	-172.2	-65	-71.8	0	0	0	112.1	S86 V91 N94	S86-Y89 WeakPolarHBondContact OG-CD2 3.39Å; S86-Y89 PolarHBondContact OG-N 3Å; Y89-V91 VanDerWaalsContact C-N 3.27Å; Y89-V91 PolarHBondContact O-N 3.27Å; Y89-N94 PolarHBondContact O-ND2 3.35Å
90	F	94.8	Very high	94.5	Very high	113 Å²	113	61.7 Å²	61.7	50%	0.496	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.8	36.6	174.8	-42.8	-69.8	0	0	0	113.5	K83 D92 W93 N94	K83-F90 HydrophobicContact CB-CD2 4.12Å; K83-F90 HydrophobicContact CB-CE2 4.06Å; K83-F90 HydrophobicContact CD-CE2 4.07Å; K83-F90 HydrophobicContact CG-CE2 4.32Å; F90-D92 VanDerWaalsContact C-OD1 3.22Å; F90-D92 WeakPolarHBondContact CA-OD1 2.97Å; F90-D92 PolarHBondContact O-N 2.83Å; F90-D92 VanDerWaalsContact O-N 3.15Å; F90-W93 HydrophobicContact CB-CB 4.36Å; F90-W93 HydrophobicContact CB-CE3 4.33Å; F90-W93 CarbonylContact O-C 3.56Å; F90-W93 WeakPolarHBondContact O-CA 3.22Å; F90-W93 PolarHBondContact O-N 2.78Å; F90-N94 HydrophobicContact CB-CB 4.49Å; F90-N94 WeakPolarHBondContact O-CB 3.48Å; F90-N94 VanDerWaalsContact O-CG 3.28Å; F90-N94 PolarHBondContact O-N 3.15Å
91	V	92.7	Very high	94.3	Very high	56 Å²	56	59.3 Å²	59.3	34%	0.339	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-29.8	-178.4	-176.3	0	0	0	0	111.4	N87 Y89 W93 G97	N87-V91 WeakPolarHBondContact O-CG2 3.22Å; Y89-V91 VanDerWaalsContact C-N 3.27Å; Y89-V91 PolarHBondContact O-N 3.27Å; V91-W93 VanDerWaalsContact C-N 3.25Å; V91-W93 PolarHBondContact O-N 3.08Å; V91-G97 VanDerWaalsContact O-CA 3.22Å; V91-G97 WeakPolarHBondContact O-CA 3.35Å
92	D	91.8	Very high	94.2	Very high	137 Å²	137	62.9 Å²	62.9	73%	0.733	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-30	171.7	62.8	-48.2	0	0	0	113.6	F90 R98	F90-D92 VanDerWaalsContact C-OD1 3.22Å; F90-D92 WeakPolarHBondContact CA-OD1 2.97Å; F90-D92 PolarHBondContact O-N 2.83Å; F90-D92 VanDerWaalsContact O-N 3.15Å; D92-R98 PolarHBondContact O-NH1 2.94Å; D92-R98 PolarHBondContact O-NH2 3.41Å
93	W	92.8	Very high	94.2	Very high	103 Å²	103	64 Å²	64	39%	0.39	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.9	-26.5	-174.9	178.6	75.5	0	0	0	114.7	F84 F90 V91 R98 W294	F84-W93 HydrophobicContact CD2-CE3 4.11Å; F84-W93 AromaticContact CD2-CH2 3.68Å; F84-W93 HydrophobicContact CD2-CH2 3.68Å; F84-W93 AromaticContact CD2-CZ3 3.44Å; F84-W93 HydrophobicContact CD2-CZ3 3.44Å; F84-W93 VanDerWaalsContact CD2-CZ3 3.44Å; F84-W93 HydrophobicContact CE2-CE3 4.27Å; F84-W93 AromaticContact CE2-CH2 3.67Å; F84-W93 HydrophobicContact CE2-CH2 3.67Å; F84-W93 HydrophobicContact CE2-CZ2 4.1Å; F84-W93 AromaticContact CE2-CZ3 3.78Å; F84-W93 HydrophobicContact CE2-CZ3 3.78Å; F90-W93 HydrophobicContact CB-CB 4.36Å; F90-W93 HydrophobicContact CB-CE3 4.33Å; F90-W93 CarbonylContact O-C 3.56Å; F90-W93 WeakPolarHBondContact O-CA 3.22Å; F90-W93 PolarHBondContact O-N 2.78Å; V91-W93 VanDerWaalsContact C-N 3.25Å; V91-W93 PolarHBondContact O-N 3.08Å; W93-R98 PolarHBondContact O-NH1 3.32Å; W93-R98 VanDerWaalsContact O-NH1 3.1Å; W93-R98 PolarHBondContact O-NH2 3.33Å; W93-W294 AromaticContact NE1-NE1 3.61Å; W93-W294 WeakPolarHBondContact O-CZ2 3.38Å
94	N	95.8	Very high	94.2	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	32%	0.323	C	S	.	.	S	Bend	trans	-87.8	-176	-168.7	84.7	5.8	0	0	0	112.9	K83 F84 S86 Y89 F90 R96 G97 R98	K83-N94 PolarHBondContact O-ND2 2.74Å; F84-N94 HydrophobicContact CD2-CB 4.49Å; F84-N94 VanDerWaalsContact O-CB 3.3Å; F84-N94 WeakPolarHBondContact O-CB 3.12Å; S86-N94 PolarHBondContact O-ND2 3.15Å; Y89-N94 PolarHBondContact O-ND2 3.35Å; F90-N94 HydrophobicContact CB-CB 4.49Å; F90-N94 WeakPolarHBondContact O-CB 3.48Å; F90-N94 VanDerWaalsContact O-CG 3.28Å; F90-N94 PolarHBondContact O-N 3.15Å; N94-R96 PolarHBondContact OD1-N 2.79Å; N94-G97 PolarHBondContact OD1-N 3.1Å; N94-R98 WeakPolarHBondContact O-CD 3.25Å; N94-R98 PolarHBondContact O-NH1 2.97Å
95	L	96	Very high	94.2	Very high	0 Å²	0	66.9 Å²	66.9	0%	0	36%	0.357	C	S	.	.	S	Bend	trans	-69.3	-34.4	-179	-70.6	171.3	0	0	0	113.6	F84 V85 G97 R98 L99 V253 L256 I257 F260 W294 I299	F84-L95 HydrophobicContact CD1-CD1 3.66Å; F84-L95 HydrophobicContact CD1-CG 3.88Å; F84-L95 HydrophobicContact CE1-CD1 3.55Å; F84-L95 HydrophobicContact CE1-CD2 4.09Å; F84-L95 HydrophobicContact CE1-CG 3.53Å; F84-L95 HydrophobicContact CZ-CD2 4.41Å; F84-L95 HydrophobicContact CZ-CG 4.08Å; F84-L95 PolarHBondContact O-N 3.22Å; V85-L95 HydrophobicContact CG1-CB 4.44Å; V85-L95 HydrophobicContact CG1-CD1 3.84Å; L95-G97 PolarHBondContact O-N 3.33Å; L95-R98 CarbonylContact O-C 3.52Å; L95-R98 PolarHBondContact O-N 2.74Å; L95-L99 PolarHBondContact O-N 2.83Å; L95-V253 HydrophobicContact CB-CG1 4.23Å; L95-V253 HydrophobicContact CD2-CG1 4.16Å; L95-V253 WeakPolarHBondContact O-CG1 3.19Å; L95-L256 HydrophobicContact CD1-CB 4.48Å; L95-L256 HydrophobicContact CD1-CD2 3.79Å; L95-L256 HydrophobicContact CD1-CG 3.88Å; L95-L256 HydrophobicContact CD2-CD2 3.92Å; L95-I257 HydrophobicContact CB-CD1 4.04Å; L95-I257 HydrophobicContact CB-CG1 3.71Å; L95-I257 HydrophobicContact CD1-CG1 4.18Å; L95-F260 HydrophobicContact CD1-CD2 3.72Å; L95-F260 HydrophobicContact CD1-CE2 3.72Å; L95-W294 HydrophobicContact CD2-CH2 3.8Å; L95-W294 HydrophobicContact CD2-CZ3 3.83Å; L95-W294 HydrophobicContact CG-CH2 4.32Å; L95-I299 HydrophobicContact CD2-CD1 3.78Å
96	R	94.2	Very high	94.2	Very high	60 Å²	60	67.1 Å²	67.1	23%	0.226	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-64.3	-39.9	-176.8	-72.6	-68.5	-174.8	-176.3	2.3	112.5	V85 N87 N94 R98 L99 I257	V85-R96 WeakPolarHBondContact O-CG 3.49Å; V85-R96 PolarHBondContact O-NE 3.47Å; N87-R96 WeakPolarHBondContact OD1-CD 3.29Å; N87-R96 WeakPolarHBondContact OD1-CG 3.37Å; N87-R96 PolarHBondContact OD1-NE 3.49Å; N94-R96 PolarHBondContact OD1-N 2.79Å; R96-R98 PolarHBondContact O-N 3.27Å; R96-L99 WeakPolarHBondContact O-CB 3.44Å; R96-L99 PolarHBondContact O-N 2.66Å; R96-I257 VanDerWaalsContact NH2-CG2 3.27Å
97	G	93	Very high	94.3	Very high	38 Å²	38	71 Å²	71	39%	0.392	37%	0.374	S	S	.	.	G	3₁₀ helix	trans	-73.2	-0.6	174.3	0	0	0	0	0	115	V91 N94 L95	V91-G97 VanDerWaalsContact O-CA 3.22Å; V91-G97 WeakPolarHBondContact O-CA 3.35Å; N94-G97 PolarHBondContact OD1-N 3.1Å; L95-G97 PolarHBondContact O-N 3.33Å
98	R	93.6	Very high	94.6	Very high	75 Å²	75	66.2 Å²	66.2	28%	0.283	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	-110.8	-2.3	175.1	-70.3	158.9	-180	55.3	9.1	113	D92 W93 N94 L95 R96 V253 W294	D92-R98 PolarHBondContact O-NH1 2.94Å; D92-R98 PolarHBondContact O-NH2 3.41Å; W93-R98 PolarHBondContact O-NH1 3.32Å; W93-R98 VanDerWaalsContact O-NH1 3.1Å; W93-R98 PolarHBondContact O-NH2 3.33Å; N94-R98 WeakPolarHBondContact O-CD 3.25Å; N94-R98 PolarHBondContact O-NH1 2.97Å; L95-R98 CarbonylContact O-C 3.52Å; L95-R98 PolarHBondContact O-N 2.74Å; R96-R98 PolarHBondContact O-N 3.27Å; R98-V253 HydrophobicContact CB-CG1 4.4Å; R98-W294 VanDerWaalsContact CD-CH2 3.46Å
99	L	94.8	Very high	94.8	Very high	14 Å²	14	64 Å²	64	7%	0.073	33%	0.332	C	S	.	.	S	Bend	trans	-64.9	-41.8	-178.4	-179	61	0	0	0	111.7	L95 R96 F249 N250 Y254 I257	L95-L99 PolarHBondContact O-N 2.83Å; R96-L99 WeakPolarHBondContact O-CB 3.44Å; R96-L99 PolarHBondContact O-N 2.66Å; L99-F249 HydrophobicContact CD1-CD2 4.2Å; L99-F249 HydrophobicContact CD1-CE2 3.6Å; L99-F249 HydrophobicContact CD1-CZ 4.17Å; L99-F249 HydrophobicContact CG-CD2 4.42Å; L99-F249 HydrophobicContact CG-CE2 4.07Å; L99-N250 WeakPolarHBondContact O-CB 3.43Å; L99-N250 PolarHBondContact O-N 2.93Å; L99-Y254 HydrophobicContact CD1-CD2 4.07Å; L99-Y254 HydrophobicContact CD1-CG 4.38Å; L99-I257 HydrophobicContact CD1-CD1 4.28Å
100	Y	94.1	Very high	95	Very high	63 Å²	63	59.4 Å²	59.4	25%	0.247	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	126.8	173.4	-65.8	-73.8	0	0	0	109.9	M103 H165 V167 T195 A247 V248 F249	Y100-M103 HydrophobicContact CG-CE 4.4Å; Y100-H165 HydrophobicContact CE1-CB 4.45Å; Y100-V167 HydrophobicContact CE1-CG2 4.38Å; Y100-T195 WeakPolarHBondContact OH-CG2 3.5Å; Y100-A247 HydrophobicContact CD1-CB 3.68Å; Y100-A247 HydrophobicContact CE1-CB 4.49Å; Y100-A247 HydrophobicContact CG-CB 4.27Å; Y100-V248 CarbonylContact C-O 3.51Å; Y100-V248 WeakPolarHBondContact CA-O 3.42Å; Y100-F249 HydrophobicContact CD1-CD2 4.27Å; Y100-F249 HydrophobicContact CE1-CB 4.37Å; Y100-F249 AromaticContact CE1-CD2 3.62Å; Y100-F249 HydrophobicContact CE1-CD2 3.62Å; Y100-F249 HydrophobicContact CE1-CE2 4.45Å; Y100-F249 HydrophobicContact CE1-CG 4.48Å; Y100-F249 AromaticContact CZ-CD2 3.97Å
101	G	92.4	Very high	95.1	Very high	34 Å²	34	55.9 Å²	55.9	35%	0.351	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	-141.8	174.7	0	0	0	0	0	112.1	V248	G101-V248 PolarHBondContact N-O 2.91Å
102	P	94.1	Very high	95.3	Very high	76 Å²	76	56.4 Å²	56.4	49%	0.494	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.4	143.8	175.2	-26.4	35.5	0	0	0	112.7	W159 V248	P102-W159 HydrophobicContact CB-CZ2 3.63Å; P102-V248 PolarHBondContact O-N 3.16Å
103	M	95.8	Very high	95.6	Very high	99 Å²	99	50.3 Å²	50.3	49%	0.488	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	149.4	-179	-58.5	175.9	177.8	0	0	109.9	Y100 Q245 I246 A247	Y100-M103 HydrophobicContact CG-CE 4.4Å; M103-Q245 PolarHBondContact SD-NE2 3.01Å; M103-I246 CarbonylContact C-O 3.57Å; M103-I246 WeakPolarHBondContact CA-O 3.42Å; M103-A247 HydrophobicContact CE-CB 4.47Å; M103-A247 HydrophobicContact CG-CB 3.81Å
104	A	95.6	Very high	95.7	Very high	19 Å²	19	46.7 Å²	46.7	16%	0.157	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	146.2	178	0	0	0	0	0	110.4	W159 Q245 I246	A104-W159 HydrophobicContact CB-CH2 3.59Å; A104-W159 HydrophobicContact CB-CZ2 4.21Å; A104-W159 HydrophobicContact CB-CZ3 4.34Å; A104-Q245 WeakPolarHBondContact O-CB 3.44Å; A104-I246 HydrophobicContact CB-CD1 4.14Å; A104-I246 HydrophobicContact CB-CG1 3.82Å; A104-I246 PolarHBondContact N-O 3Å; A104-I246 WeakPolarHBondContact O-CG1 3.31Å; A104-I246 PolarHBondContact O-N 3.12Å
105	P	95.9	Very high	95.5	Very high	112 Å²	112	51.6 Å²	51.6	73%	0.727	29%	0.285	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.5	160.4	179.5	30.8	-35.7	0	0	0	111.7
106	V	96.2	Very high	95.3	Very high	22 Å²	22	57.7 Å²	57.7	13%	0.133	31%	0.313	C	S	.	.			trans	-113.3	157.6	172.2	-63	0	0	0	0	110.6	L108 V151 T152 C153 L166 A244 I246	V106-L108 HydrophobicContact CG2-CD2 3.76Å; V106-L108 HydrophobicContact CG2-CG 4.16Å; V106-V151 HydrophobicContact CB-CG1 3.98Å; V106-V151 HydrophobicContact CG1-CG1 4.26Å; V106-V151 HydrophobicContact CG2-CG1 3.92Å; V106-T152 WeakPolarHBondContact CB-O 3.3Å; V106-C153 HydrophobicContact CG1-CB 4.35Å; V106-L166 HydrophobicContact CG1-CD1 4.36Å; V106-A244 HydrophobicContact CG2-CB 4.01Å; V106-A244 WeakPolarHBondContact CG2-O 3.36Å; V106-I246 HydrophobicContact CG1-CG2 3.77Å
107	Q	96.9	Very high	95.3	Very high	105 Å²	105	59.2 Å²	59.2	49%	0.491	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	131	171.6	-50.8	174.9	-8.8	0	0	109.3	T152	Q107-T152 PolarHBondContact N-O 3.32Å; Q107-T152 PolarHBondContact O-N 2.75Å
108	L	98	Very high	95.3	Very high	16 Å²	16	58.2 Å²	58.2	8%	0.084	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	126.3	-177.7	-58.3	177.9	0	0	0	110.9	V106 S133 A134 T150 V151 W168 A244	V106-L108 HydrophobicContact CG2-CD2 3.76Å; V106-L108 HydrophobicContact CG2-CG 4.16Å; L108-S133 WeakPolarHBondContact O-CA 3.27Å; L108-A134 HydrophobicContact CB-CB 3.76Å; L108-A134 HydrophobicContact CD1-CB 4.4Å; L108-A134 PolarHBondContact O-N 2.86Å; L108-T150 WeakPolarHBondContact CA-O 3.38Å; L108-V151 HydrophobicContact CD2-CB 4.25Å; L108-V151 HydrophobicContact CD2-CG1 3.98Å; L108-V151 HydrophobicContact CD2-CG2 3.81Å; L108-W168 HydrophobicContact CD1-CZ3 4.29Å; L108-W168 HydrophobicContact CD2-CZ3 3.99Å; L108-A244 HydrophobicContact CD1-CB 3.87Å; L108-A244 HydrophobicContact CD2-CB 4.44Å
109	I	98.1	Very high	95.4	Very high	65 Å²	65	57.8 Å²	57.8	33%	0.333	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	139.4	162.5	-55.7	177.2	0	0	0	106.9	L127 K132 F149 T150	I109-L127 HydrophobicContact CG2-CD2 4.16Å; I109-K132 CarbonylContact C-O 3.49Å; I109-K132 WeakPolarHBondContact CA-O 3.3Å; I109-F149 CarbonylContact O-C 3.59Å; I109-F149 WeakPolarHBondContact O-CA 3.47Å; I109-T150 PolarHBondContact N-O 3.5Å; I109-T150 PolarHBondContact O-N 2.89Å
110	Y	97.5	Very high	95.5	Very high	40 Å²	40	58 Å²	58	16%	0.157	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	143.3	-170.4	148	-106.1	0	0	0	111.2	N112 G131 K132 A134 L138 H147 W148 F149	Y110-N112 HydrophobicContact CE2-CB 4.12Å; Y110-N112 WeakPolarHBondContact OH-CB 3.41Å; Y110-G131 WeakPolarHBondContact O-CA 3.32Å; Y110-K132 PolarHBondContact N-O 3.25Å; Y110-K132 PolarHBondContact O-N 3.11Å; Y110-A134 HydrophobicContact CG-CB 4.41Å; Y110-L138 HydrophobicContact CD1-CD2 4.12Å; Y110-L138 HydrophobicContact CD2-CD2 4.04Å; Y110-L138 HydrophobicContact CE1-CD2 4.32Å; Y110-L138 HydrophobicContact CE2-CD2 4.28Å; Y110-L138 HydrophobicContact CG-CD2 3.94Å; Y110-H147 HydrophobicContact CE2-CB 4.22Å; Y110-H147 AromaticContact CE2-ND1 3.44Å; Y110-H147 WeakPolarHBondContact CE2-ND1 3.25Å; Y110-W148 CarbonylContact C-O 3.52Å; Y110-W148 WeakPolarHBondContact CA-O 3.46Å; Y110-F149 AromaticContact CD2-CE1 3.97Å; Y110-F149 HydrophobicContact CD2-CE1 3.97Å; Y110-F149 HydrophobicContact CD2-CE2 4.49Å; Y110-F149 AromaticContact CD2-CZ 3.92Å; Y110-F149 HydrophobicContact CD2-CZ 3.92Å; Y110-F149 HydrophobicContact CG-CE1 4.22Å
111	Y	97.9	Very high	95.5	Very high	39 Å²	39	60.8 Å²	60.8	15%	0.153	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	135.7	171.2	-179.4	-104	0	0	0	110.9	A113 I118 K126 E130 W148	Y111-A113 HydrophobicContact CD1-CB 4.46Å; Y111-A113 HydrophobicContact CE1-CB 4.21Å; Y111-I118 HydrophobicContact CE1-CD1 4.26Å; Y111-K126 HydrophobicContact CD1-CB 3.75Å; Y111-K126 HydrophobicContact CD1-CG 4.41Å; Y111-K126 HydrophobicContact CD2-CB 4.1Å; Y111-K126 HydrophobicContact CE1-CB 3.61Å; Y111-K126 HydrophobicContact CE1-CD 4.37Å; Y111-K126 HydrophobicContact CE1-CG 3.77Å; Y111-K126 HydrophobicContact CE2-CB 3.98Å; Y111-K126 HydrophobicContact CE2-CD 4.26Å; Y111-K126 HydrophobicContact CE2-CG 4.38Å; Y111-K126 HydrophobicContact CG-CB 3.98Å; Y111-K126 WeakPolarHBondContact OH-CE 3.38Å; Y111-E130 HydrophobicContact CD2-CB 4.04Å; Y111-E130 HydrophobicContact CE2-CB 3.89Å; Y111-E130 WeakPolarHBondContact CE2-OE2 3.3Å; Y111-W148 PolarHBondContact N-O 3.41Å; Y111-W148 PolarHBondContact O-N 2.87Å
112	N	97.1	Very high	95.8	Very high	67 Å²	67	63.1 Å²	63.1	36%	0.358	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	112.5	175.4	-171.2	-12.4	0	0	0	109.8	Y110 G114 H147	Y110-N112 HydrophobicContact CE2-CB 4.12Å; Y110-N112 WeakPolarHBondContact OH-CB 3.41Å; N112-G114 VanDerWaalsContact C-N 3.29Å; N112-G114 WeakPolarHBondContact OD1-CA 3.28Å; N112-G114 PolarHBondContact OD1-N 3.42Å; N112-H147 PolarHBondContact OD1-CE1 3.24Å
113	A	97.1	Very high	95.9	Very high	10 Å²	10	59.5 Å²	59.5	8%	0.083	31%	0.311	C	S	.	.			trans	-86.3	-0.4	175.8	0	0	0	0	0	112.8	Y111 Q116 I118 T146	Y111-A113 HydrophobicContact CD1-CB 4.46Å; Y111-A113 HydrophobicContact CE1-CB 4.21Å; A113-Q116 PolarHBondContact O-N 3.3Å; A113-I118 HydrophobicContact CB-CD1 3.88Å; A113-I118 HydrophobicContact CB-CG1 4.06Å; A113-T146 WeakPolarHBondContact CB-O 3.27Å; A113-T146 PolarHBondContact N-O 3.31Å
114	G	95.2	Very high	96	Very high	26 Å²	26	57.7 Å²	57.7	27%	0.268	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.9	-138.1	-176.6	0	0	0	0	0	111.1	N112 Q116 S145 T146	N112-G114 VanDerWaalsContact C-N 3.29Å; N112-G114 WeakPolarHBondContact OD1-CA 3.28Å; N112-G114 PolarHBondContact OD1-N 3.42Å; G114-Q116 PolarHBondContact O-N 3.05Å; G114-S145 CarbonylContact O-C 3.59Å; G114-S145 WeakPolarHBondContact O-CA 3.38Å; G114-S145 WeakPolarHBondContact O-CB 3.44Å; G114-T146 PolarHBondContact O-N 3.14Å
115	Q	92.3	Very high	96	Very high	103 Å²	103	59.1 Å²	59.1	48%	0.481	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-4	178.9	-66.4	-65.2	-27.2	0	0	113.5	T143	Q115-T143 PolarHBondContact NE2-O 3.18Å
116	Q	91.3	Very high	96.1	Very high	129 Å²	129	56.6 Å²	56.6	60%	0.603	29%	0.29	S	S	*	.			trans	-82.5	129.9	-178.1	-62.6	-176.8	-14.3	0	0	110.8	A113 G114 I118	A113-Q116 PolarHBondContact O-N 3.3Å; G114-Q116 PolarHBondContact O-N 3.05Å; Q116-I118 HydrophobicContact CB-CG2 3.91Å; Q116-I118 PolarHBondContact O-N 3.07Å
117	R	93.5	Very high	96.2	Very high	91 Å²	91	55.9 Å²	55.9	34%	0.343	29%	0.285	S	S	.	.			trans	-91.1	75.8	171.3	-59.5	-177.2	-176.2	90.2	0.8	109	A339 E340	R117-A339 VanDerWaalsContact NH1-CB 3.29Å; R117-E340 IonicContact NE-OE2 3.94Å
118	I	94.8	Very high	96.1	Very high	17 Å²	17	57.8 Å²	57.8	9%	0.087	29%	0.294	C	S	.	.			trans	-74	155.5	-176.3	62	174.3	0	0	0	112.5	Y111 A113 Q116 E122 A123	Y111-I118 HydrophobicContact CE1-CD1 4.26Å; A113-I118 HydrophobicContact CB-CD1 3.88Å; A113-I118 HydrophobicContact CB-CG1 4.06Å; Q116-I118 HydrophobicContact CB-CG2 3.91Å; Q116-I118 PolarHBondContact O-N 3.07Å; I118-E122 HydrophobicContact CB-CB 4.37Å; I118-E122 HydrophobicContact CB-CG 4.26Å; I118-E122 HydrophobicContact CD1-CG 4.33Å; I118-A123 HydrophobicContact CD1-CB 3.81Å; I118-A123 HydrophobicContact CG1-CB 4.15Å
119	S	94.4	Very high	96.1	Very high	67 Å²	67	61.1 Å²	61.1	47%	0.469	32%	0.319	S	S	.	.			trans	-68.2	158.5	176.8	72.6	0	0	0	0	112.4	N121 E122 A123	S119-N121 VanDerWaalsContact C-N 3.3Å; S119-N121 PolarHBondContact O-N 3.33Å; S119-E122 PolarHBondContact O-N 2.88Å; S119-E122 WeakPolarHBondContact OG-CB 3.06Å; S119-E122 PolarHBondContact OG-N 3.01Å; S119-A123 WeakPolarHBondContact O-CB 3.3Å; S119-A123 PolarHBondContact O-N 2.91Å
120	F	96.4	Very high	96	Very high	18 Å²	18	62.4 Å²	62.4	8%	0.079	32%	0.323	C	S	.	.	H	α-helix	trans	-54.7	-44.1	175.5	171.7	-93.4	0	0	0	112.8	E122 A123 K124 W148 W177 S178 G181 Y213	F120-E122 VanDerWaalsContact C-N 3.33Å; F120-E122 PolarHBondContact O-N 3.3Å; F120-A123 PolarHBondContact O-N 3.25Å; F120-K124 HydrophobicContact CE1-CB 4.49Å; F120-K124 HydrophobicContact CE1-CD 3.91Å; F120-K124 HydrophobicContact CZ-CD 4.03Å; F120-K124 WeakPolarHBondContact O-CB 3.19Å; F120-K124 PolarHBondContact O-N 2.72Å; F120-W148 HydrophobicContact CB-CH2 4.33Å; F120-W148 HydrophobicContact CD2-CH2 4.18Å; F120-W148 AromaticContact CD2-CZ3 3.97Å; F120-W148 HydrophobicContact CD2-CZ3 3.97Å; F120-W177 HydrophobicContact CB-CE3 4.33Å; F120-W177 HydrophobicContact CB-CH2 4.38Å; F120-W177 HydrophobicContact CB-CZ3 4.15Å; F120-W177 HydrophobicContact CD2-CB 4.01Å; F120-W177 AromaticContact CD2-CD2 3.95Å; F120-W177 HydrophobicContact CD2-CD2 3.95Å; F120-W177 AromaticContact CD2-CE3 3.92Å; F120-W177 HydrophobicContact CD2-CE3 3.92Å; F120-W177 HydrophobicContact CD2-CG 4.03Å; F120-W177 HydrophobicContact CE2-CB 3.82Å; F120-W177 HydrophobicContact CE2-CG 4.35Å; F120-W177 HydrophobicContact CG-CE3 4.27Å; F120-S178 VanDerWaalsContact CZ-O 3.27Å; F120-S178 WeakPolarHBondContact CZ-O 3.46Å; F120-G181 VanDerWaalsContact CZ-CA 3.49Å; F120-Y213 AromaticContact CE2-CD2 3.81Å; F120-Y213 HydrophobicContact CE2-CD2 3.81Å; F120-Y213 AromaticContact CE2-CG 3.9Å; F120-Y213 HydrophobicContact CE2-CG 3.9Å; F120-Y213 AromaticContact CZ-CD2 3.93Å; F120-Y213 HydrophobicContact CZ-CD2 3.93Å; F120-Y213 HydrophobicContact CZ-CE2 4.23Å; F120-Y213 HydrophobicContact CZ-CG 4.41Å
121	N	95.9	Very high	96	Very high	121 Å²	121	61.8 Å²	61.8	65%	0.647	33%	0.33	S	S	*	.	H	α-helix	trans	-64.7	-40.3	-178	-72.7	-29.2	0	0	0	111.7	S119 A125	S119-N121 VanDerWaalsContact C-N 3.3Å; S119-N121 PolarHBondContact O-N 3.33Å; N121-A125 PolarHBondContact O-N 3.16Å; N121-A125 VanDerWaalsContact O-N 3.11Å
122	E	97	Very high	95.9	Very high	84 Å²	84	67 Å²	67	39%	0.393	35%	0.353	S	S	.	.	H	α-helix	trans	-65.8	-46.3	174.8	-174	177.8	178	0	0	111.2	I118 S119 F120 K124 A125 K126	I118-E122 HydrophobicContact CB-CB 4.37Å; I118-E122 HydrophobicContact CB-CG 4.26Å; I118-E122 HydrophobicContact CD1-CG 4.33Å; S119-E122 PolarHBondContact O-N 2.88Å; S119-E122 WeakPolarHBondContact OG-CB 3.06Å; S119-E122 PolarHBondContact OG-N 3.01Å; F120-E122 VanDerWaalsContact C-N 3.33Å; F120-E122 PolarHBondContact O-N 3.3Å; E122-K124 VanDerWaalsContact C-N 3.33Å; E122-K124 PolarHBondContact O-N 3.07Å; E122-A125 PolarHBondContact O-N 2.96Å; E122-K126 WeakPolarHBondContact O-CG 3.44Å; E122-K126 PolarHBondContact O-N 2.9Å
123	A	97.4	Very high	95.9	Very high	0 Å²	0	69 Å²	69	0%	0	37%	0.372	C	S	.	.	H	α-helix	trans	-59.5	-42.8	177.1	0	0	0	0	0	112.6	I118 S119 F120 A125 K126 L127 W148	I118-A123 HydrophobicContact CD1-CB 3.81Å; I118-A123 HydrophobicContact CG1-CB 4.15Å; S119-A123 WeakPolarHBondContact O-CB 3.3Å; S119-A123 PolarHBondContact O-N 2.91Å; F120-A123 PolarHBondContact O-N 3.25Å; A123-A125 PolarHBondContact O-N 2.64Å; A123-K126 PolarHBondContact O-N 3.16Å; A123-L127 WeakPolarHBondContact O-CB 3.29Å; A123-L127 WeakPolarHBondContact O-CG 3.4Å; A123-L127 PolarHBondContact O-N 3.46Å; A123-W148 HydrophobicContact CB-CB 4.44Å; A123-W148 HydrophobicContact CB-CD2 3.32Å; A123-W148 HydrophobicContact CB-CE3 3.74Å; A123-W148 HydrophobicContact CB-CG 3.65Å; A123-W148 HydrophobicContact CB-CH2 4.14Å; A123-W148 HydrophobicContact CB-CZ2 3.77Å; A123-W148 HydrophobicContact CB-CZ3 4.12Å
124	K	96.7	Very high	95.8	Very high	60 Å²	60	69.3 Å²	69.3	26%	0.261	38%	0.375	S	S	.	.	H	α-helix	trans	-61.5	-43.7	176.3	-176.9	173.9	179.1	-178.5	0	111.6	F120 E122 Q128 T179 Y213	F120-K124 HydrophobicContact CE1-CB 4.49Å; F120-K124 HydrophobicContact CE1-CD 3.91Å; F120-K124 HydrophobicContact CZ-CD 4.03Å; F120-K124 WeakPolarHBondContact O-CB 3.19Å; F120-K124 PolarHBondContact O-N 2.72Å; E122-K124 VanDerWaalsContact C-N 3.33Å; E122-K124 PolarHBondContact O-N 3.07Å; K124-Q128 VanDerWaalsContact O-CG 3.32Å; K124-Q128 WeakPolarHBondContact O-CG 3.45Å; K124-Q128 PolarHBondContact O-N 3.43Å; K124-T179 PolarHBondContact NZ-O 3.32Å; K124-Y213 HydrophobicContact CB-CE1 4.45Å; K124-Y213 HydrophobicContact CG-CE1 4.11Å
125	A	97.4	Very high	95.8	Very high	50 Å²	50	75.4 Å²	75.4	41%	0.413	39%	0.391	S	S	.	.	H	α-helix	trans	-62.8	-45	175.2	0	0	0	0	0	111.5	N121 E122 A123 Q128 S129	N121-A125 PolarHBondContact O-N 3.16Å; N121-A125 VanDerWaalsContact O-N 3.11Å; E122-A125 PolarHBondContact O-N 2.96Å; A123-A125 PolarHBondContact O-N 2.64Å; A125-Q128 WeakPolarHBondContact O-CB 3.34Å; A125-Q128 PolarHBondContact O-N 3.35Å; A125-S129 PolarHBondContact O-N 3.36Å; A125-S129 PolarHBondContact O-OG 3.48Å
126	K	97.9	Very high	96	Very high	59 Å²	59	75 Å²	75	26%	0.257	39%	0.391	S	S	.	.	H	α-helix	trans	-63.2	-41	177.5	-72	-59.2	-163.3	-179.7	0	113.4	Y111 E122 A123 Q128 S129 E130 G131	Y111-K126 HydrophobicContact CD1-CB 3.75Å; Y111-K126 HydrophobicContact CD1-CG 4.41Å; Y111-K126 HydrophobicContact CD2-CB 4.1Å; Y111-K126 HydrophobicContact CE1-CB 3.61Å; Y111-K126 HydrophobicContact CE1-CD 4.37Å; Y111-K126 HydrophobicContact CE1-CG 3.77Å; Y111-K126 HydrophobicContact CE2-CB 3.98Å; Y111-K126 HydrophobicContact CE2-CD 4.26Å; Y111-K126 HydrophobicContact CE2-CG 4.38Å; Y111-K126 HydrophobicContact CG-CB 3.98Å; Y111-K126 WeakPolarHBondContact OH-CE 3.38Å; E122-K126 WeakPolarHBondContact O-CG 3.44Å; E122-K126 PolarHBondContact O-N 2.9Å; A123-K126 PolarHBondContact O-N 3.16Å; K126-Q128 VanDerWaalsContact C-N 3.26Å; K126-Q128 PolarHBondContact O-N 3.22Å; K126-S129 PolarHBondContact O-N 3.43Å; K126-E130 VanDerWaalsContact CD-OE1 3.3Å; K126-E130 WeakPolarHBondContact CD-OE1 3.31Å; K126-E130 IonicContact NZ-OE1 3.83Å; K126-E130 PolarHBondContact NZ-OE1 3.04Å; K126-E130 IonicContact NZ-OE2 2.97Å; K126-E130 CarbonylContact O-C 3.57Å; K126-E130 WeakPolarHBondContact O-CA 3.36Å; K126-E130 WeakPolarHBondContact O-CB 3.41Å; K126-E130 PolarHBondContact O-N 3.27Å; K126-G131 PolarHBondContact O-N 3.43Å
127	L	97.6	Very high	96.2	Very high	6 Å²	6	70.9 Å²	70.9	3%	0.031	38%	0.383	C	S	.	.	H	α-helix	trans	-62.3	-33.9	174.3	-81.6	164.5	0	0	0	112.3	I109 A123 G131 W148 Y213	I109-L127 HydrophobicContact CG2-CD2 4.16Å; A123-L127 WeakPolarHBondContact O-CB 3.29Å; A123-L127 WeakPolarHBondContact O-CG 3.4Å; A123-L127 PolarHBondContact O-N 3.46Å; L127-G131 VanDerWaalsContact O-CA 3.28Å; L127-G131 WeakPolarHBondContact O-CA 3.29Å; L127-G131 PolarHBondContact O-N 3.05Å; L127-W148 HydrophobicContact CD1-CB 4Å; L127-W148 HydrophobicContact CG-CB 4.34Å; L127-Y213 HydrophobicContact CD1-CD1 3.56Å; L127-Y213 HydrophobicContact CD1-CE1 3.82Å
128	Q	95.6	Very high	96.4	Very high	146 Å²	146	67.4 Å²	67.4	68%	0.682	37%	0.371	S	S	*	.	H	α-helix	trans	-75.7	-40.9	177.2	-71.2	173.5	-11.9	0	0	112.7	K124 A125 K126	K124-Q128 VanDerWaalsContact O-CG 3.32Å; K124-Q128 WeakPolarHBondContact O-CG 3.45Å; K124-Q128 PolarHBondContact O-N 3.43Å; A125-Q128 WeakPolarHBondContact O-CB 3.34Å; A125-Q128 PolarHBondContact O-N 3.35Å; K126-Q128 VanDerWaalsContact C-N 3.26Å; K126-Q128 PolarHBondContact O-N 3.22Å
129	S	96.8	Very high	96.5	Very high	86 Å²	86	72.5 Å²	72.5	60%	0.601	39%	0.394	S	S	*	.	H	α-helix	trans	-87	-34.2	-175.4	62.5	0	0	0	0	114	A125 K126	A125-S129 PolarHBondContact O-N 3.36Å; A125-S129 PolarHBondContact O-OG 3.48Å; K126-S129 PolarHBondContact O-N 3.43Å
130	E	97.1	Very high	96.6	Very high	91 Å²	91	69.4 Å²	69.4	43%	0.425	37%	0.373	S	S	.	.	H	α-helix	trans	-128.3	-0.5	-168.4	-65.1	171.3	-134.3	0	0	113.2	Y111 K126	Y111-E130 HydrophobicContact CD2-CB 4.04Å; Y111-E130 HydrophobicContact CE2-CB 3.89Å; Y111-E130 WeakPolarHBondContact CE2-OE2 3.3Å; K126-E130 VanDerWaalsContact CD-OE1 3.3Å; K126-E130 WeakPolarHBondContact CD-OE1 3.31Å; K126-E130 IonicContact NZ-OE1 3.83Å; K126-E130 PolarHBondContact NZ-OE1 3.04Å; K126-E130 IonicContact NZ-OE2 2.97Å; K126-E130 CarbonylContact O-C 3.57Å; K126-E130 WeakPolarHBondContact O-CA 3.36Å; K126-E130 WeakPolarHBondContact O-CB 3.41Å; K126-E130 PolarHBondContact O-N 3.27Å
131	G	96.3	Very high	96.5	Very high	28 Å²	28	69.4 Å²	69.4	29%	0.289	38%	0.377	S	S	.	.			trans	-63.3	141.1	-177.3	0	0	0	0	0	113.4	Y110 K126 L127	Y110-G131 WeakPolarHBondContact O-CA 3.32Å; K126-G131 PolarHBondContact O-N 3.43Å; L127-G131 VanDerWaalsContact O-CA 3.28Å; L127-G131 WeakPolarHBondContact O-CA 3.29Å; L127-G131 PolarHBondContact O-N 3.05Å
132	K	97	Very high	96.5	Very high	149 Å²	149	66.5 Å²	66.5	65%	0.648	37%	0.365	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.1	152.2	178.3	-61.3	177.1	-174.7	174.3	0	110.4	I109 Y110 A134	I109-K132 CarbonylContact C-O 3.49Å; I109-K132 WeakPolarHBondContact CA-O 3.3Å; Y110-K132 PolarHBondContact N-O 3.25Å; Y110-K132 PolarHBondContact O-N 3.11Å; K132-A134 PolarHBondContact O-N 3.31Å
133	S	96.6	Very high	96.4	Very high	108 Å²	108	62.6 Å²	62.6	76%	0.755	35%	0.347	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.2	136.1	173	-58.1	0	0	0	0	111.3	L108	L108-S133 WeakPolarHBondContact O-CA 3.27Å
134	A	95.5	Very high	96.4	Very high	17 Å²	17	63.7 Å²	63.7	14%	0.14	35%	0.351	C	S	.	.			trans	-113	164.4	175.3	0	0	0	0	0	112.1	L108 Y110 K132 L138 F149	L108-A134 HydrophobicContact CB-CB 3.76Å; L108-A134 HydrophobicContact CD1-CB 4.4Å; L108-A134 PolarHBondContact O-N 2.86Å; Y110-A134 HydrophobicContact CG-CB 4.41Å; K132-A134 PolarHBondContact O-N 3.31Å; A134-L138 HydrophobicContact CB-CD2 3.93Å; A134-F149 HydrophobicContact CB-CD1 4.27Å; A134-F149 HydrophobicContact CB-CE1 4Å
135	Y	94.7	Very high	96.4	Very high	153 Å²	153	60.8 Å²	60.8	60%	0.6	34%	0.339	S	S	*	.			trans	-144.6	159.1	-176.8	53.8	-88.7	0	0	0	111.1	G137 L138	Y135-G137 PolarHBondContact O-N 2.76Å; Y135-L138 VanDerWaalsContact O-CB 3.27Å; Y135-L138 WeakPolarHBondContact O-CB 3.45Å; Y135-L138 PolarHBondContact O-N 3.27Å; Y135-L138 VanDerWaalsContact O-N 3.12Å
136	I	96.3	Very high	96.4	Very high	96 Å²	96	58.4 Å²	58.4	49%	0.492	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	130.2	171.7	-63	173.2	0	0	0	108.5	K242 A244	I136-K242 WeakPolarHBondContact CG2-O 3.37Å; I136-A244 HydrophobicContact CG1-CB 4.49Å
137	G	96.2	Very high	96.4	Very high	41 Å²	41	55.7 Å²	55.7	42%	0.423	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	98.7	-2.7	-170.7	0	0	0	0	0	114.1	Y135 E139 T240 V241	Y135-G137 PolarHBondContact O-N 2.76Å; G137-E139 PolarHBondContact O-N 3.43Å; G137-T240 VanDerWaalsContact C-CG2 3.44Å; G137-T240 WeakPolarHBondContact O-CG2 3.31Å; G137-V241 PolarHBondContact N-O 2.88Å
138	L	96.9	Very high	96.4	Very high	19 Å²	19	55.4 Å²	55.4	10%	0.099	31%	0.306	C	S	.	.			trans	-58.8	122.9	172.4	178.7	68.6	0	0	0	110.3	Y110 A134 Y135 F149 T240 V241	Y110-L138 HydrophobicContact CD1-CD2 4.12Å; Y110-L138 HydrophobicContact CD2-CD2 4.04Å; Y110-L138 HydrophobicContact CE1-CD2 4.32Å; Y110-L138 HydrophobicContact CE2-CD2 4.28Å; Y110-L138 HydrophobicContact CG-CD2 3.94Å; A134-L138 HydrophobicContact CB-CD2 3.93Å; Y135-L138 VanDerWaalsContact O-CB 3.27Å; Y135-L138 WeakPolarHBondContact O-CB 3.45Å; Y135-L138 PolarHBondContact O-N 3.27Å; Y135-L138 VanDerWaalsContact O-N 3.12Å; L138-F149 HydrophobicContact CD2-CE1 3.83Å; L138-F149 HydrophobicContact CD2-CZ 4.01Å; L138-T240 WeakPolarHBondContact O-CA 3.42Å; L138-V241 HydrophobicContact CB-CG2 4.28Å; L138-V241 PolarHBondContact O-N 2.98Å
139	E	97	Very high	96.6	Very high	124 Å²	124	48.5 Å²	48.5	58%	0.579	27%	0.273	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.6	137.1	173.7	-168.5	176.7	99.7	0	0	110.8	G137 T238 F239	G137-E139 PolarHBondContact O-N 3.43Å; E139-T238 HydrophobicContact CG-CG2 4.22Å; E139-F239 CarbonylContact C-O 3.53Å; E139-F239 WeakPolarHBondContact CA-O 3.39Å
140	M	96.3	Very high	96.6	Very high	2 Å²	2	45 Å²	45	1%	0.01	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	139.2	-178.5	-62.8	173.2	-64.4	0	0	109	H147 F149 V216 T238 F239 V241	M140-H147 HydrophobicContact CG-CB 4.41Å; M140-H147 HydrophobicContact SD-CB 4.01Å; M140-F149 HydrophobicContact SD-CE2 3.74Å; M140-F149 HydrophobicContact SD-CZ 3.56Å; M140-F149 VanDerWaalsContact SD-CZ 3.56Å; M140-V216 HydrophobicContact CE-CG1 4.01Å; M140-V216 HydrophobicContact SD-CB 4.43Å; M140-V216 HydrophobicContact SD-CG1 3.98Å; M140-T238 CarbonylContact O-C 3.55Å; M140-T238 VanDerWaalsContact O-CA 3.26Å; M140-T238 WeakPolarHBondContact O-CA 3.17Å; M140-F239 HydrophobicContact CE-CB 4.43Å; M140-F239 PolarHBondContact N-O 3.14Å; M140-F239 PolarHBondContact O-N 3.22Å; M140-V241 HydrophobicContact CE-CG2 3.7Å; M140-V241 HydrophobicContact SD-CG2 4.01Å
141	G	94.6	Very high	96.6	Very high	17 Å²	17	40.7 Å²	40.7	18%	0.175	23%	0.228	C	C	.	.			trans	168.3	180	-179.3	0	0	0	0	0	110.4	S145 H147	G141-S145 WeakPolarHBondContact CA-OG 3.22Å; G141-S145 PolarHBondContact O-OG 2.89Å; G141-H147 PolarHBondContact N-NE2 3.42Å
142	P	96	Very high	96.6	Very high	61 Å²	61	40 Å²	40	40%	0.396	22%	0.218	S	C	.	.	S	Bend	cis	-79.2	-170.3	0.9	34.1	-36.5	0	0	0	112.7	S145 C218 P235 L237	P142-S145 WeakPolarHBondContact O-CB 3.33Å; P142-S145 PolarHBondContact O-N 3.04Å; P142-S145 VanDerWaalsContact O-N 3.08Å; P142-S145 PolarHBondContact O-OG 3.23Å; P142-C218 WeakPolarHBondContact O-CB 3.5Å; P142-P235 WeakPolarHBondContact CB-O 3.39Å; P142-L237 CarbonylContact C-O 3.5Å; P142-L237 WeakPolarHBondContact CA-O 3.33Å
143	T	95.4	Very high	96.4	Very high	2 Å²	2	32.9 Å²	32.9	1%	0.012	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48	140.1	177.3	-53.1	0	0	0	0	112.2	Q115 S145 A224 E234 P235 L237	Q115-T143 PolarHBondContact NE2-O 3.18Å; T143-S145 PolarHBondContact O-N 3.45Å; T143-S145 VanDerWaalsContact O-N 3.14Å; T143-A224 HydrophobicContact CG2-CB 3.22Å; T143-E234 VanDerWaalsContact CB-O 3.31Å; T143-E234 WeakPolarHBondContact CB-O 3.47Å; T143-E234 PolarHBondContact OG1-O 2.9Å; T143-P235 WeakPolarHBondContact CB-O 3.45Å; T143-P235 PolarHBondContact N-O 3Å; T143-P235 PolarHBondContact OG1-O 3.21Å; T143-L237 PolarHBondContact N-O 3.15Å; T143-L237 VanDerWaalsContact OG1-CB 3.32Å; T143-L237 WeakPolarHBondContact OG1-CB 3.25Å; T143-L237 PolarHBondContact OG1-N 3.2Å
144	W	95.5	Very high	96.2	Very high	22 Å²	22	30.6 Å²	30.6	8%	0.083	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.8	-2.1	-177.5	-45.2	119.6	0	0	0	115.9	C218 N219 A224 A233 L335 W336 E340 I653	W144-C218 PolarHBondContact N-O 3.12Å; W144-N219 HydrophobicContact CE3-CB 3.68Å; W144-N219 HydrophobicContact CH2-CB 4.09Å; W144-N219 HydrophobicContact CZ3-CB 3.35Å; W144-A224 HydrophobicContact CH2-CB 4.09Å; W144-A224 HydrophobicContact CZ2-CB 3.67Å; W144-A233 HydrophobicContact CZ2-CB 4.38Å; W144-L335 VanDerWaalsContact CH2-O 3.24Å; W144-L335 WeakPolarHBondContact CH2-O 3.33Å; W144-W336 HydrophobicContact CH2-CB 3.71Å; W144-W336 HydrophobicContact CZ3-CB 3.81Å; W144-E340 HydrophobicContact CZ3-CG 4.5Å; W144-I653 HydrophobicContact CZ2-CD1 4.05Å
145	S	97.2	Very high	96	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.165	C	C	.	.			trans	-67.2	150.3	174	65.7	0	0	0	0	112.5	G114 G141 P142 T143 H147 C218	G114-S145 CarbonylContact O-C 3.59Å; G114-S145 WeakPolarHBondContact O-CA 3.38Å; G114-S145 WeakPolarHBondContact O-CB 3.44Å; G141-S145 WeakPolarHBondContact CA-OG 3.22Å; G141-S145 PolarHBondContact O-OG 2.89Å; P142-S145 WeakPolarHBondContact O-CB 3.33Å; P142-S145 PolarHBondContact O-N 3.04Å; P142-S145 VanDerWaalsContact O-N 3.08Å; P142-S145 PolarHBondContact O-OG 3.23Å; T143-S145 PolarHBondContact O-N 3.45Å; T143-S145 VanDerWaalsContact O-N 3.14Å; S145-H147 PolarHBondContact OG-NE2 3.33Å; S145-C218 WeakPolarHBondContact O-CB 3.37Å; S145-C218 PolarHBondContact O-N 3.4Å; S145-C218 PolarHBondContact OG-SG 3.03Å; S145-C218 VanDerWaalsContact OG-SG 3.37Å
146	T	98	Very high	95.8	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	130	-179.4	-54.5	0	0	0	0	110.4	A113 G114 E215 V216 R343	A113-T146 WeakPolarHBondContact CB-O 3.27Å; A113-T146 PolarHBondContact N-O 3.31Å; G114-T146 PolarHBondContact O-N 3.14Å; T146-E215 HydrophobicContact CG2-CG 3.77Å; T146-V216 WeakPolarHBondContact CA-O 3.28Å; T146-R343 PolarHBondContact OG1-NH1 2.89Å; T146-R343 PolarHBondContact OG1-NH2 2.8Å
147	H	97.9	Very high	95.4	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.005	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	129.6	-178.3	-60.8	-100.6	0	0	0	109	Y110 N112 M140 G141 S145 F149 V216 C218	Y110-H147 HydrophobicContact CE2-CB 4.22Å; Y110-H147 AromaticContact CE2-ND1 3.44Å; Y110-H147 WeakPolarHBondContact CE2-ND1 3.25Å; N112-H147 PolarHBondContact OD1-CE1 3.24Å; M140-H147 HydrophobicContact CG-CB 4.41Å; M140-H147 HydrophobicContact SD-CB 4.01Å; G141-H147 PolarHBondContact N-NE2 3.42Å; S145-H147 PolarHBondContact OG-NE2 3.33Å; H147-F149 HydrophobicContact CB-CE2 3.92Å; H147-F149 HydrophobicContact CB-CZ 4.48Å; H147-V216 HydrophobicContact CB-CB 4.33Å; H147-V216 PolarHBondContact N-O 2.95Å; H147-V216 PolarHBondContact O-N 3.19Å; H147-C218 PolarHBondContact CD2-SG 2.73Å
148	W	98.2	Very high	95.2	Very high	1 Å²	1	30.2 Å²	30.2	0%	0.004	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	141.2	-178.4	-77.5	88.9	0	0	0	110.6	Y110 Y111 F120 A123 L127 W177 L214 E215	Y110-W148 CarbonylContact C-O 3.52Å; Y110-W148 WeakPolarHBondContact CA-O 3.46Å; Y111-W148 PolarHBondContact N-O 3.41Å; Y111-W148 PolarHBondContact O-N 2.87Å; F120-W148 HydrophobicContact CB-CH2 4.33Å; F120-W148 HydrophobicContact CD2-CH2 4.18Å; F120-W148 AromaticContact CD2-CZ3 3.97Å; F120-W148 HydrophobicContact CD2-CZ3 3.97Å; A123-W148 HydrophobicContact CB-CB 4.44Å; A123-W148 HydrophobicContact CB-CD2 3.32Å; A123-W148 HydrophobicContact CB-CE3 3.74Å; A123-W148 HydrophobicContact CB-CG 3.65Å; A123-W148 HydrophobicContact CB-CH2 4.14Å; A123-W148 HydrophobicContact CB-CZ2 3.77Å; A123-W148 HydrophobicContact CB-CZ3 4.12Å; L127-W148 HydrophobicContact CD1-CB 4Å; L127-W148 HydrophobicContact CG-CB 4.34Å; W148-W177 HydrophobicContact CH2-CD2 4.48Å; W148-W177 AromaticContact CH2-CE2 3.87Å; W148-W177 HydrophobicContact CH2-CZ2 4.23Å; W148-W177 AromaticContact CH2-NE1 3.55Å; W148-W177 AromaticContact CZ3-CD1 3.72Å; W148-W177 HydrophobicContact CZ3-CG 4.27Å; W148-W177 AromaticContact CZ3-NE1 3.75Å; W148-L214 CarbonylContact C-O 3.57Å; W148-L214 VanDerWaalsContact CA-O 3.32Å; W148-L214 WeakPolarHBondContact CA-O 3.19Å; W148-E215 HydrophobicContact CD2-CB 4.07Å; W148-E215 HydrophobicContact CD2-CG 4.29Å; W148-E215 HydrophobicContact CE3-CB 3.99Å; W148-E215 HydrophobicContact CH2-CB 3.69Å; W148-E215 HydrophobicContact CH2-CG 4.07Å; W148-E215 HydrophobicContact CZ2-CB 3.76Å; W148-E215 HydrophobicContact CZ2-CG 3.62Å; W148-E215 HydrophobicContact CZ3-CB 3.81Å
149	F	98.3	Very high	94.9	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	137.4	176.4	-59.8	-100.4	0	0	0	111.3	I109 Y110 A134 L138 M140 H147 V151 W168 Y213 L214 V216 V241	I109-F149 CarbonylContact O-C 3.59Å; I109-F149 WeakPolarHBondContact O-CA 3.47Å; Y110-F149 AromaticContact CD2-CE1 3.97Å; Y110-F149 HydrophobicContact CD2-CE1 3.97Å; Y110-F149 HydrophobicContact CD2-CE2 4.49Å; Y110-F149 AromaticContact CD2-CZ 3.92Å; Y110-F149 HydrophobicContact CD2-CZ 3.92Å; Y110-F149 HydrophobicContact CG-CE1 4.22Å; A134-F149 HydrophobicContact CB-CD1 4.27Å; A134-F149 HydrophobicContact CB-CE1 4Å; L138-F149 HydrophobicContact CD2-CE1 3.83Å; L138-F149 HydrophobicContact CD2-CZ 4.01Å; M140-F149 HydrophobicContact SD-CE2 3.74Å; M140-F149 HydrophobicContact SD-CZ 3.56Å; M140-F149 VanDerWaalsContact SD-CZ 3.56Å; H147-F149 HydrophobicContact CB-CE2 3.92Å; H147-F149 HydrophobicContact CB-CZ 4.48Å; F149-V151 HydrophobicContact CB-CG2 4.3Å; F149-W168 AromaticContact CD1-CH2 3.93Å; F149-W168 HydrophobicContact CD1-CH2 3.93Å; F149-W168 HydrophobicContact CD2-CH2 4Å; F149-W168 HydrophobicContact CD2-CZ2 4.19Å; F149-W168 HydrophobicContact CE1-CH2 4.08Å; F149-W168 HydrophobicContact CE2-CH2 4.17Å; F149-W168 HydrophobicContact CE2-CZ2 4.18Å; F149-W168 AromaticContact CG-CH2 3.89Å; F149-W168 HydrophobicContact CG-CH2 3.89Å; F149-W168 HydrophobicContact CZ-CH2 4.21Å; F149-W168 HydrophobicContact CZ-CZ2 4.49Å; F149-Y213 CarbonylContact O-C 3.32Å; F149-Y213 WeakPolarHBondContact O-CA 3.16Å; F149-L214 HydrophobicContact CB-CB 4.21Å; F149-L214 PolarHBondContact N-O 2.85Å; F149-L214 PolarHBondContact O-N 3.19Å; F149-V216 HydrophobicContact CD2-CG2 3.83Å; F149-V216 HydrophobicContact CE2-CB 4.21Å; F149-V216 HydrophobicContact CE2-CG2 3.68Å; F149-V241 HydrophobicContact CE1-CG2 4.35Å; F149-V241 HydrophobicContact CZ-CG2 4.07Å
150	T	98.1	Very high	94.4	Very high	14 Å²	14	29.9 Å²	29.9	9%	0.086	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	123.1	155.6	-50.6	0	0	0	0	107.6	L108 I109 V211 Y213	L108-T150 WeakPolarHBondContact CA-O 3.38Å; I109-T150 PolarHBondContact N-O 3.5Å; I109-T150 PolarHBondContact O-N 2.89Å; T150-V211 HydrophobicContact CG2-CG1 3.69Å; T150-Y213 HydrophobicContact CG2-CE1 4.23Å; T150-Y213 WeakPolarHBondContact OG1-CE1 3.23Å
151	V	96.7	Very high	93.9	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	113.3	176.6	-171.5	0	0	0	0	108.5	V106 L108 F149 L166 V211 L212 L214	V106-V151 HydrophobicContact CB-CG1 3.98Å; V106-V151 HydrophobicContact CG1-CG1 4.26Å; V106-V151 HydrophobicContact CG2-CG1 3.92Å; L108-V151 HydrophobicContact CD2-CB 4.25Å; L108-V151 HydrophobicContact CD2-CG1 3.98Å; L108-V151 HydrophobicContact CD2-CG2 3.81Å; F149-V151 HydrophobicContact CB-CG2 4.3Å; V151-L166 HydrophobicContact CG1-CD1 4.11Å; V151-V211 WeakPolarHBondContact O-CA 3.48Å; V151-L212 PolarHBondContact N-O 3.41Å; V151-L212 PolarHBondContact O-N 3.19Å; V151-L214 HydrophobicContact CG2-CD1 3.54Å; V151-L214 HydrophobicContact CG2-CG 3.91Å
152	T	95.3	Very high	93.7	Very high	12 Å²	12	38.9 Å²	38.9	7%	0.074	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	120.3	173.2	-54	0	0	0	0	109.3	V106 Q107 R209 Y210 V211	V106-T152 WeakPolarHBondContact CB-O 3.3Å; Q107-T152 PolarHBondContact N-O 3.32Å; Q107-T152 PolarHBondContact O-N 2.75Å; T152-R209 HydrophobicContact CG2-CG 4.1Å; T152-R209 VanDerWaalsContact CG2-CZ 3.41Å; T152-Y210 CarbonylContact C-O 3.32Å; T152-Y210 WeakPolarHBondContact CA-O 3.5Å; T152-V211 HydrophobicContact CG2-CG2 4.26Å
153	C	93.9	Very high	93.6	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	117.6	179.3	-57	0	0	0	0	109.2	V106 L198 R209 Y210 I246	V106-C153 HydrophobicContact CG1-CB 4.35Å; C153-L198 HydrophobicContact CB-CD1 4.14Å; C153-R209 WeakPolarHBondContact O-CA 3.49Å; C153-Y210 PolarHBondContact N-O 3.25Å; C153-Y210 PolarHBondContact O-N 3.28Å; C153-I246 HydrophobicContact CB-CG2 3.81Å
154	D	92.2	Very high	93.5	Very high	61 Å²	61	37.8 Å²	37.8	33%	0.326	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	103.4	172.1	-65.2	-63.9	0	0	0	108.3	P156 R209 I246	D154-P156 WeakPolarHBondContact O-CD 3.27Å; D154-R209 WeakPolarHBondContact OD1-CD 3.37Å; D154-R209 WeakPolarHBondContact OD1-CG 3.45Å; D154-R209 IonicContact OD1-CZ 2.66Å; D154-R209 IonicContact OD1-NE 2.91Å; D154-R209 IonicContact OD1-NH1 2.91Å; D154-R209 PolarHBondContact OD1-NH1 3.22Å; D154-R209 IonicContact OD2-NH1 4Å; D154-R209 PolarHBondContact OD2-NH1 3.35Å; D154-R209 VanDerWaalsContact OD2-NH1 3.1Å; D154-I246 WeakPolarHBondContact O-CD1 3.18Å
155	I	90.8	Very high	93.5	Very high	19 Å²	19	37.1 Å²	37.1	10%	0.097	22%	0.219	C	C	.	.			trans	-74.9	119.7	177.8	-58.7	-170.2	0	0	0	109	W159 V164 T199 G208 Y210 I246	I155-W159 HydrophobicContact CG2-CB 3.96Å; I155-W159 HydrophobicContact CG2-CE3 4.2Å; I155-V164 HydrophobicContact CD1-CB 3.98Å; I155-V164 HydrophobicContact CD1-CG1 4.08Å; I155-V164 HydrophobicContact CD1-CG2 4.11Å; I155-V164 HydrophobicContact CG1-CG1 4.43Å; I155-V164 HydrophobicContact CG2-CG2 4.24Å; I155-T199 HydrophobicContact CD1-CG2 4.45Å; I155-G208 WeakPolarHBondContact CB-O 3.2Å; I155-G208 PolarHBondContact N-O 2.89Å; I155-Y210 HydrophobicContact CB-CE2 4.49Å; I155-Y210 HydrophobicContact CD1-CD2 3.73Å; I155-Y210 HydrophobicContact CD1-CE2 3.4Å; I155-Y210 HydrophobicContact CG1-CD2 3.89Å; I155-Y210 HydrophobicContact CG1-CE2 3.82Å; I155-I246 HydrophobicContact CG1-CD1 4.2Å
156	P	91.1	Very high	93.5	Very high	37 Å²	37	37.1 Å²	37.1	24%	0.24	22%	0.219	C	C	.	.			trans	-57.9	141.4	174.9	-25.3	36	0	0	0	111.9	D154 E158 W159	D154-P156 WeakPolarHBondContact O-CD 3.27Å; P156-E158 HydrophobicContact CB-CG 3.53Å; P156-E158 PolarHBondContact O-N 2.87Å; P156-E158 VanDerWaalsContact O-N 3.13Å; P156-W159 HydrophobicContact CB-CD2 4.38Å; P156-W159 HydrophobicContact CB-CG 4.4Å; P156-W159 HydrophobicContact CG-CD2 4.07Å; P156-W159 HydrophobicContact CG-CE3 4.37Å; P156-W159 HydrophobicContact CG-CH2 4.34Å; P156-W159 HydrophobicContact CG-CZ2 4.02Å; P156-W159 WeakPolarHBondContact O-CB 3.32Å; P156-W159 PolarHBondContact O-N 3.31Å
157	S	88.7	Confident	93.4	Very high	99 Å²	99	38 Å²	38	69%	0.692	22%	0.224	S	C	*	.	G	3₁₀ helix	trans	-59.3	-27.9	-179.5	53.6	0	0	0	0	113.6	W159 N160	S157-W159 PolarHBondContact O-N 2.87Å; S157-N160 WeakPolarHBondContact O-CB 3.48Å; S157-N160 VanDerWaalsContact O-CG 3.26Å; S157-N160 PolarHBondContact O-N 3.18Å; S157-N160 PolarHBondContact O-ND2 3.17Å
158	E	91	Very high	93.4	Very high	144 Å²	144	38.1 Å²	38.1	67%	0.673	22%	0.224	S	C	*	.	G	3₁₀ helix	trans	-62.4	-16.7	172.4	48.3	172.1	-127.7	0	0	114.1	P156	P156-E158 HydrophobicContact CB-CG 3.53Å; P156-E158 PolarHBondContact O-N 2.87Å; P156-E158 VanDerWaalsContact O-N 3.13Å
159	W	91.6	Very high	93.3	Very high	12 Å²	12	39.6 Å²	39.6	5%	0.045	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-99.9	6.6	178.2	-55.7	-2	0	0	0	112.9	P102 A104 I155 P156 S157 G161 K162 V164 I246 V248	P102-W159 HydrophobicContact CB-CZ2 3.63Å; A104-W159 HydrophobicContact CB-CH2 3.59Å; A104-W159 HydrophobicContact CB-CZ2 4.21Å; A104-W159 HydrophobicContact CB-CZ3 4.34Å; I155-W159 HydrophobicContact CG2-CB 3.96Å; I155-W159 HydrophobicContact CG2-CE3 4.2Å; P156-W159 HydrophobicContact CB-CD2 4.38Å; P156-W159 HydrophobicContact CB-CG 4.4Å; P156-W159 HydrophobicContact CG-CD2 4.07Å; P156-W159 HydrophobicContact CG-CE3 4.37Å; P156-W159 HydrophobicContact CG-CH2 4.34Å; P156-W159 HydrophobicContact CG-CZ2 4.02Å; P156-W159 WeakPolarHBondContact O-CB 3.32Å; P156-W159 PolarHBondContact O-N 3.31Å; S157-W159 PolarHBondContact O-N 2.87Å; W159-G161 PolarHBondContact O-N 3.46Å; W159-K162 HydrophobicContact CB-CB 4.47Å; W159-K162 HydrophobicContact CB-CG 4.33Å; W159-K162 WeakPolarHBondContact O-CB 3.49Å; W159-K162 VanDerWaalsContact O-CG 3.28Å; W159-K162 WeakPolarHBondContact O-CG 3.26Å; W159-K162 PolarHBondContact O-N 3.49Å; W159-V164 HydrophobicContact CB-CG2 4.48Å; W159-V164 HydrophobicContact CE3-CG1 4.19Å; W159-V164 HydrophobicContact CE3-CG2 4.05Å; W159-V164 HydrophobicContact CZ3-CG1 4.22Å; W159-I246 HydrophobicContact CE3-CD1 4.44Å; W159-I246 HydrophobicContact CH2-CD1 4.4Å; W159-I246 HydrophobicContact CH2-CG1 4.24Å; W159-I246 HydrophobicContact CZ3-CB 4.42Å; W159-I246 HydrophobicContact CZ3-CD1 3.71Å; W159-I246 HydrophobicContact CZ3-CG1 3.8Å; W159-V248 HydrophobicContact CB-CG2 4.27Å; W159-V248 HydrophobicContact CD2-CG2 3.39Å; W159-V248 HydrophobicContact CE3-CG2 3.6Å; W159-V248 HydrophobicContact CG-CG2 3.67Å; W159-V248 HydrophobicContact CH2-CG2 4.49Å; W159-V248 HydrophobicContact CZ2-CG2 4.36Å; W159-V248 HydrophobicContact CZ3-CG2 4.14Å
160	N	86.2	Confident	93.1	Very high	123 Å²	123	39.6 Å²	39.6	66%	0.658	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.5	131.3	176.4	-79.5	-10.5	0	0	0	111.4	S157 K162	S157-N160 WeakPolarHBondContact O-CB 3.48Å; S157-N160 VanDerWaalsContact O-CG 3.26Å; S157-N160 PolarHBondContact O-N 3.18Å; S157-N160 PolarHBondContact O-ND2 3.17Å; N160-K162 VanDerWaalsContact C-N 3.27Å; N160-K162 PolarHBondContact O-N 3.08Å
161	G	85.1	Confident	92.8	Very high	91 Å²	91	39.6 Å²	39.6	94%	0.938	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.6	0.4	-176.9	0	0	0	0	0	115.2	W159	W159-G161 PolarHBondContact O-N 3.46Å
162	K	90.5	Very high	92.7	Very high	118 Å²	118	39.6 Å²	39.6	51%	0.513	24%	0.236	S	C	.	.	S	Bend	trans	-88.2	154.9	171.2	-56.1	-81.9	-177.3	170.2	0	110.2	W159 N160 T199 V248	W159-K162 HydrophobicContact CB-CB 4.47Å; W159-K162 HydrophobicContact CB-CG 4.33Å; W159-K162 WeakPolarHBondContact O-CB 3.49Å; W159-K162 VanDerWaalsContact O-CG 3.28Å; W159-K162 WeakPolarHBondContact O-CG 3.26Å; W159-K162 PolarHBondContact O-N 3.49Å; N160-K162 VanDerWaalsContact C-N 3.27Å; N160-K162 PolarHBondContact O-N 3.08Å; K162-T199 WeakPolarHBondContact O-CG2 3.46Å; K162-V248 HydrophobicContact CB-CG1 4.02Å; K162-V248 HydrophobicContact CD-CG1 4.11Å; K162-V248 HydrophobicContact CG-CG1 4.28Å
163	I	93.2	Very high	92.7	Very high	39 Å²	39	39.1 Å²	39.1	20%	0.2	23%	0.232	C	C	.	.			trans	-78.2	126.7	167.5	-59	171.5	0	0	0	108.1	E197 F249 E251	I163-E197 HydrophobicContact CG2-CG 3.94Å; I163-F249 HydrophobicContact CG2-CB 4.14Å; I163-F249 HydrophobicContact CG2-CD1 4.17Å; I163-F249 PolarHBondContact O-N 2.93Å; I163-E251 HydrophobicContact CD1-CB 3.98Å; I163-E251 WeakPolarHBondContact CD1-OE2 3.25Å
164	V	94.6	Very high	92.8	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.006	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	128.3	-177.5	-175.8	0	0	0	0	109.5	I155 W159 L198 T199 I246 A247	I155-V164 HydrophobicContact CD1-CB 3.98Å; I155-V164 HydrophobicContact CD1-CG1 4.08Å; I155-V164 HydrophobicContact CD1-CG2 4.11Å; I155-V164 HydrophobicContact CG1-CG1 4.43Å; I155-V164 HydrophobicContact CG2-CG2 4.24Å; W159-V164 HydrophobicContact CB-CG2 4.48Å; W159-V164 HydrophobicContact CE3-CG1 4.19Å; W159-V164 HydrophobicContact CE3-CG2 4.05Å; W159-V164 HydrophobicContact CZ3-CG1 4.22Å; V164-L198 HydrophobicContact CG1-CD1 4.33Å; V164-L198 WeakPolarHBondContact O-CB 3.5Å; V164-L198 PolarHBondContact O-N 3.23Å; V164-T199 HydrophobicContact CB-CG2 3.87Å; V164-T199 HydrophobicContact CG2-CG2 4.05Å; V164-T199 PolarHBondContact N-OG1 3.13Å; V164-I246 HydrophobicContact CG1-CB 3.99Å; V164-A247 WeakPolarHBondContact CA-O 3.48Å
165	H	95.7	Very high	93	Very high	7 Å²	7	36.3 Å²	36.3	3%	0.032	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	142.2	176.8	-70.3	-162.3	0	0	0	110.4	Y100 F196 I246 A247 F249	Y100-H165 HydrophobicContact CE1-CB 4.45Å; H165-F196 CarbonylContact C-O 3.54Å; H165-F196 VanDerWaalsContact CA-O 3.3Å; H165-F196 WeakPolarHBondContact CA-O 3.35Å; H165-I246 CarbonylContact O-C 3.6Å; H165-I246 VanDerWaalsContact O-CA 3.28Å; H165-I246 WeakPolarHBondContact O-CA 3.11Å; H165-A247 PolarHBondContact N-O 2.99Å; H165-A247 PolarHBondContact O-N 3.43Å; H165-F249 AromaticContact CE1-CD1 3.72Å; H165-F249 AromaticContact CE1-CD2 3.61Å; H165-F249 AromaticContact CE1-CE2 3.94Å; H165-F249 AromaticContact CE1-CG 3.46Å; H165-F249 VanDerWaalsContact CE1-CG 3.46Å; H165-F249 WeakPolarHBondContact CE1-CG 3.38Å; H165-F249 AromaticContact ND1-CD2 3.86Å; H165-F249 AromaticContact ND1-CG 3.95Å; H165-F249 AromaticContact NE2-CD1 3.6Å; H165-F249 AromaticContact NE2-CG 3.52Å
166	L	96.5	Very high	93.3	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.005	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	125.4	154.7	173.3	64.9	0	0	0	107.8	V106 V151 W168 T195 F196 L198 L212	V106-L166 HydrophobicContact CG1-CD1 4.36Å; V151-L166 HydrophobicContact CG1-CD1 4.11Å; L166-W168 HydrophobicContact CG-CB 4.41Å; L166-T195 CarbonylContact O-C 3.58Å; L166-T195 VanDerWaalsContact O-CA 3.26Å; L166-T195 WeakPolarHBondContact O-CA 3.27Å; L166-F196 HydrophobicContact CB-CB 4.34Å; L166-F196 PolarHBondContact N-O 3.02Å; L166-F196 PolarHBondContact O-N 3.13Å; L166-L198 HydrophobicContact CB-CD1 3.92Å; L166-L198 HydrophobicContact CB-CD2 4.21Å; L166-L198 HydrophobicContact CB-CG 3.94Å; L166-L212 HydrophobicContact CD2-CD1 4.22Å
167	V	96.7	Very high	93.6	Very high	19 Å²	19	34.4 Å²	34.4	12%	0.115	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	106.9	173.1	-174.5	0	0	0	0	108	Y100 T195 A244 Q245 A247	Y100-V167 HydrophobicContact CE1-CG2 4.38Å; V167-T195 HydrophobicContact CG2-CG2 4.44Å; V167-A244 WeakPolarHBondContact O-CA 3.34Å; V167-Q245 HydrophobicContact CB-CG 4.15Å; V167-Q245 PolarHBondContact N-O 3.48Å; V167-Q245 PolarHBondContact O-N 3.24Å; V167-Q245 VanDerWaalsContact O-N 3.14Å; V167-A247 HydrophobicContact CG2-CB 3.98Å
168	W	96.7	Very high	93.9	Very high	2 Å²	2	30.2 Å²	30.2	1%	0.008	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	127.9	-177.2	177.6	-86.2	0	0	0	111.1	L108 F149 L166 S170 L187 T194 L214 V216 V241 T243 A244	L108-W168 HydrophobicContact CD1-CZ3 4.29Å; L108-W168 HydrophobicContact CD2-CZ3 3.99Å; F149-W168 AromaticContact CD1-CH2 3.93Å; F149-W168 HydrophobicContact CD1-CH2 3.93Å; F149-W168 HydrophobicContact CD2-CH2 4Å; F149-W168 HydrophobicContact CD2-CZ2 4.19Å; F149-W168 HydrophobicContact CE1-CH2 4.08Å; F149-W168 HydrophobicContact CE2-CH2 4.17Å; F149-W168 HydrophobicContact CE2-CZ2 4.18Å; F149-W168 AromaticContact CG-CH2 3.89Å; F149-W168 HydrophobicContact CG-CH2 3.89Å; F149-W168 HydrophobicContact CZ-CH2 4.21Å; F149-W168 HydrophobicContact CZ-CZ2 4.49Å; L166-W168 HydrophobicContact CG-CB 4.41Å; W168-S170 PolarHBondContact NE1-OG 3.44Å; W168-L187 HydrophobicContact CB-CD1 3.97Å; W168-L187 HydrophobicContact CG-CD1 4.19Å; W168-T194 PolarHBondContact N-O 2.82Å; W168-T194 CarbonylContact O-C 3.55Å; W168-T194 VanDerWaalsContact O-CA 3.25Å; W168-T194 WeakPolarHBondContact O-CA 3.3Å; W168-T194 WeakPolarHBondContact O-CB 3.36Å; W168-L214 HydrophobicContact CD2-CD1 3.32Å; W168-L214 HydrophobicContact CE3-CD1 3.34Å; W168-L214 HydrophobicContact CG-CD1 3.88Å; W168-L214 HydrophobicContact CH2-CD1 3.9Å; W168-L214 HydrophobicContact CZ2-CD1 3.9Å; W168-L214 HydrophobicContact CZ3-CD1 3.63Å; W168-V216 HydrophobicContact CZ2-CG2 3.87Å; W168-V241 HydrophobicContact CH2-CG1 3.92Å; W168-V241 HydrophobicContact CH2-CG2 4.13Å; W168-V241 HydrophobicContact CZ2-CG1 4.26Å; W168-V241 HydrophobicContact CZ2-CG2 4.18Å; W168-V241 HydrophobicContact CZ3-CG1 4.15Å; W168-T243 WeakPolarHBondContact CA-O 3.48Å; W168-A244 HydrophobicContact CE3-CB 3.66Å; W168-A244 HydrophobicContact CZ3-CB 3.69Å
169	N	96.4	Very high	93.9	Very high	32 Å²	32	25 Å²	25	17%	0.171	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	111.9	173.5	-171.5	-12.6	0	0	0	110	G171 T194 K242 T243	N169-G171 PolarHBondContact OD1-N 3.33Å; N169-T194 HydrophobicContact CB-CG2 3.81Å; N169-K242 HydrophobicContact CB-CB 4.37Å; N169-K242 WeakPolarHBondContact O-CA 3.2Å; N169-K242 WeakPolarHBondContact O-CB 3.47Å; N169-K242 PolarHBondContact O-N 2.86Å; N169-T243 WeakPolarHBondContact CB-OG1 3.41Å; N169-T243 PolarHBondContact N-O 2.81Å; N169-T243 PolarHBondContact N-OG1 3.1Å; N169-T243 VanDerWaalsContact N-OG1 3.15Å; N169-T243 PolarHBondContact O-N 3.01Å
170	S	94.6	Very high	93.9	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.007	18%	0.178	C	C	.	.			trans	-104.1	3.2	173.3	46.3	0	0	0	0	113.1	W168 C172 T240	W168-S170 PolarHBondContact NE1-OG 3.44Å; S170-C172 VanDerWaalsContact CB-SG 3.54Å; S170-C172 PolarHBondContact O-N 3.24Å; S170-C172 PolarHBondContact O-SG 3.24Å; S170-C172 PolarHBondContact OG-SG 3.07Å; S170-T240 CarbonylContact C-O 3.48Å; S170-T240 WeakPolarHBondContact CA-O 3.36Å
171	G	91.8	Very high	94.3	Very high	14 Å²	14	25 Å²	25	14%	0.144	15%	0.153	C	C	.	.	S	Bend	trans	66.5	10.5	-173.8	0	0	0	0	0	114.8	N169 F239	N169-G171 PolarHBondContact OD1-N 3.33Å; G171-F239 WeakPolarHBondContact O-CD1 3.47Å; G171-F239 WeakPolarHBondContact O-CE1 3.31Å
172	C	93.1	Very high	94.8	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.125	C	C	.	.	S	Bend	trans	-143.5	-177.8	-177.7	50.8	0	0	0	0	110.2	S170 G189 V216 A217 N219 F239	S170-C172 VanDerWaalsContact CB-SG 3.54Å; S170-C172 PolarHBondContact O-N 3.24Å; S170-C172 PolarHBondContact O-SG 3.24Å; S170-C172 PolarHBondContact OG-SG 3.07Å; C172-G189 PolarHBondContact O-N 2.99Å; C172-V216 WeakPolarHBondContact SG-CG1 3.38Å; C172-A217 WeakPolarHBondContact CB-O 3.48Å; C172-N219 WeakPolarHBondContact CA-O 3.21Å; C172-N219 VanDerWaalsContact CB-O 3.23Å; C172-N219 WeakPolarHBondContact CB-O 3.34Å; C172-F239 HydrophobicContact CB-CB 4.49Å; C172-F239 HydrophobicContact CB-CD1 3.63Å; C172-F239 HydrophobicContact CB-CD2 4.44Å; C172-F239 HydrophobicContact CB-CE1 3.88Å; C172-F239 HydrophobicContact CB-CG 3.93Å; C172-F239 HydrophobicContact CB-CZ 4.4Å
173	E	95.5	Very high	95.1	Very high	1 Å²	1	18.9 Å²	18.9	1%	0.005	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	138.7	179.1	-59.3	-87.1	73.1	0	0	111.1	L187 S188 A217 N219 K344 R347	E173-L187 CarbonylContact C-O 3.57Å; E173-S188 VanDerWaalsContact OE1-CB 3.23Å; E173-S188 WeakPolarHBondContact OE1-CB 3.22Å; E173-S188 PolarHBondContact OE1-OG 3.06Å; E173-A217 HydrophobicContact CB-CB 4.48Å; E173-A217 PolarHBondContact O-N 3.29Å; E173-N219 WeakPolarHBondContact CG-O 3.28Å; E173-N219 PolarHBondContact N-O 2.94Å; E173-K344 IonicContact OE2-NZ 3.74Å; E173-K344 PolarHBondContact OE2-NZ 3.09Å; E173-R347 IonicContact OE1-NH1 2.75Å; E173-R347 PolarHBondContact OE1-NH1 3.17Å; E173-R347 IonicContact OE2-CZ 2.7Å; E173-R347 IonicContact OE2-NH1 2.84Å; E173-R347 PolarHBondContact OE2-NH1 3.3Å; E173-R347 IonicContact OE2-NH2 3.67Å; E173-R347 PolarHBondContact OE2-NH2 2.89Å
174	A	96.3	Very high	95.1	Very high	1 Å²	1	18.8 Å²	18.8	1%	0.008	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	157.5	174.6	0	0	0	0	0	112.9	G186 L187 E215 V216 R347	A174-G186 CarbonylContact O-C 3.55Å; A174-G186 WeakPolarHBondContact O-CA 3.27Å; A174-L187 HydrophobicContact CB-CB 4.26Å; A174-L187 PolarHBondContact N-O 3.34Å; A174-L187 PolarHBondContact O-N 3.46Å; A174-E215 CarbonylContact C-O 3.4Å; A174-E215 WeakPolarHBondContact CA-O 3.47Å; A174-V216 HydrophobicContact CB-CG2 4.04Å; A174-R347 WeakPolarHBondContact O-CD 3.4Å
175	M	97.2	Very high	95.2	Very high	2 Å²	2	20.2 Å²	20.2	1%	0.01	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	130.8	174.1	176.3	67.2	97.9	0	0	110.1	W177 P183 L214 E215 A346 R347	M175-W177 HydrophobicContact CG-CD2 4.14Å; M175-W177 HydrophobicContact CG-CG 4.16Å; M175-W177 HydrophobicContact CG-CZ2 4.19Å; M175-P183 HydrophobicContact CE-CB 3.49Å; M175-P183 VanDerWaalsContact CE-CB 3.49Å; M175-P183 HydrophobicContact CG-CB 4.46Å; M175-P183 HydrophobicContact SD-CB 3.83Å; M175-L214 VanDerWaalsContact O-CA 3.3Å; M175-L214 WeakPolarHBondContact O-CA 3.4Å; M175-E215 HydrophobicContact CB-CB 4.26Å; M175-E215 PolarHBondContact N-O 2.85Å; M175-E215 PolarHBondContact O-N 2.91Å; M175-A346 HydrophobicContact CE-CB 3.55Å; M175-A346 WeakPolarHBondContact CE-O 3.46Å; M175-R347 HydrophobicContact CB-CG 3.83Å; M175-R347 HydrophobicContact CE-CB 4.21Å; M175-R347 HydrophobicContact CE-CG 3.62Å; M175-R347 HydrophobicContact CG-CG 4.37Å; M175-R347 HydrophobicContact SD-CG 3.9Å
176	V	97.3	Very high	95.2	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	130.3	169	-169.2	0	0	0	0	109.8	L184 Q185 L187 F196 L212 L214	V176-L184 HydrophobicContact CB-CB 4.39Å; V176-L184 HydrophobicContact CG1-CB 4.44Å; V176-L184 HydrophobicContact CG1-CD1 4.32Å; V176-L184 PolarHBondContact O-N 3.27Å; V176-Q185 PolarHBondContact N-O 2.87Å; V176-L187 HydrophobicContact CG2-CD1 3.87Å; V176-L187 HydrophobicContact CG2-CG 4.03Å; V176-F196 HydrophobicContact CB-CD2 4.36Å; V176-F196 HydrophobicContact CG1-CD1 4.23Å; V176-F196 HydrophobicContact CG1-CD2 4.21Å; V176-F196 HydrophobicContact CG1-CE1 4.22Å; V176-F196 HydrophobicContact CG1-CE2 4.2Å; V176-F196 HydrophobicContact CG1-CG 4.21Å; V176-F196 HydrophobicContact CG1-CZ 4.2Å; V176-F196 HydrophobicContact CG2-CB 4.29Å; V176-F196 HydrophobicContact CG2-CD2 4.16Å; V176-F196 HydrophobicContact CG2-CG 4.22Å; V176-L212 HydrophobicContact CG1-CD1 4.02Å; V176-L212 HydrophobicContact CG1-CD2 4.42Å; V176-L214 HydrophobicContact CB-CD2 4.2Å; V176-L214 HydrophobicContact CG1-CD2 4.43Å; V176-L214 HydrophobicContact CG2-CD2 3.69Å
177	W	96.8	Very high	95.1	Very high	15 Å²	15	20.2 Å²	20.2	6%	0.057	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	143.5	-178.7	-65.7	90.1	0	0	0	111.7	F120 W148 M175 G181 H182 P183 Y213 E215 Y379	F120-W177 HydrophobicContact CB-CE3 4.33Å; F120-W177 HydrophobicContact CB-CH2 4.38Å; F120-W177 HydrophobicContact CB-CZ3 4.15Å; F120-W177 HydrophobicContact CD2-CB 4.01Å; F120-W177 AromaticContact CD2-CD2 3.95Å; F120-W177 HydrophobicContact CD2-CD2 3.95Å; F120-W177 AromaticContact CD2-CE3 3.92Å; F120-W177 HydrophobicContact CD2-CE3 3.92Å; F120-W177 HydrophobicContact CD2-CG 4.03Å; F120-W177 HydrophobicContact CE2-CB 3.82Å; F120-W177 HydrophobicContact CE2-CG 4.35Å; F120-W177 HydrophobicContact CG-CE3 4.27Å; W148-W177 HydrophobicContact CH2-CD2 4.48Å; W148-W177 AromaticContact CH2-CE2 3.87Å; W148-W177 HydrophobicContact CH2-CZ2 4.23Å; W148-W177 AromaticContact CH2-NE1 3.55Å; W148-W177 AromaticContact CZ3-CD1 3.72Å; W148-W177 HydrophobicContact CZ3-CG 4.27Å; W148-W177 AromaticContact CZ3-NE1 3.75Å; M175-W177 HydrophobicContact CG-CD2 4.14Å; M175-W177 HydrophobicContact CG-CG 4.16Å; M175-W177 HydrophobicContact CG-CZ2 4.19Å; W177-G181 VanDerWaalsContact CZ3-O 3.31Å; W177-G181 WeakPolarHBondContact CZ3-O 3.13Å; W177-H182 WeakPolarHBondContact CA-O 3.22Å; W177-P183 HydrophobicContact CE3-CB 4.25Å; W177-P183 HydrophobicContact CZ3-CB 4.22Å; W177-P183 HydrophobicContact CZ3-CG 4.48Å; W177-Y213 PolarHBondContact N-O 2.98Å; W177-Y213 PolarHBondContact O-N 3.49Å; W177-E215 PolarHBondContact NE1-OE2 2.97Å; W177-Y379 AromaticContact CH2-CD1 3.87Å; W177-Y379 HydrophobicContact CH2-CD1 3.87Å; W177-Y379 AromaticContact CH2-CE1 3.39Å; W177-Y379 HydrophobicContact CH2-CE1 3.39Å; W177-Y379 AromaticContact CZ2-CE1 3.87Å; W177-Y379 HydrophobicContact CZ2-CE1 3.87Å; W177-Y379 HydrophobicContact CZ3-CD1 4.44Å; W177-Y379 HydrophobicContact CZ3-CE1 4.36Å
178	S	94.2	Very high	94.9	Very high	12 Å²	12	19.6 Å²	19.6	8%	0.084	11%	0.107	C	C	.	.			trans	-73.5	170.4	171.7	91.1	0	0	0	0	112.2	F120 E180 G181 H182	F120-S178 VanDerWaalsContact CZ-O 3.27Å; F120-S178 WeakPolarHBondContact CZ-O 3.46Å; S178-E180 WeakPolarHBondContact CB-OE2 3.38Å; S178-E180 PolarHBondContact O-N 2.95Å; S178-E180 PolarHBondContact OG-N 3.43Å; S178-E180 PolarHBondContact OG-OE2 2.89Å; S178-G181 PolarHBondContact O-N 3.08Å; S178-G181 PolarHBondContact OG-N 3.28Å; S178-H182 PolarHBondContact N-O 2.91Å; S178-H182 PolarHBondContact OG-N 3.38Å
179	T	92.5	Very high	94.4	Very high	34 Å²	34	20.1 Å²	20.1	21%	0.209	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-21.7	175.6	34.9	0	0	0	0	113.9	K124 V211 Y213	K124-T179 PolarHBondContact NZ-O 3.32Å; T179-V211 HydrophobicContact CG2-CB 4.16Å; T179-V211 HydrophobicContact CG2-CG1 4.31Å; T179-Y213 HydrophobicContact CG2-CE2 4.17Å
180	E	91.9	Very high	93.7	Very high	120 Å²	120	21.9 Å²	21.9	56%	0.561	12%	0.122	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.3	-7.4	179.5	-55.6	66.9	-136.4	0	0	112.4	S178	S178-E180 WeakPolarHBondContact CB-OE2 3.38Å; S178-E180 PolarHBondContact O-N 2.95Å; S178-E180 PolarHBondContact OG-N 3.43Å; S178-E180 PolarHBondContact OG-OE2 2.89Å
181	G	94	Very high	93.2	Very high	14 Å²	14	23.1 Å²	23.1	14%	0.144	13%	0.132	C	C	.	.	S	Bend	trans	89.1	25.8	179.8	0	0	0	0	0	114.5	F120 W177 S178	F120-G181 VanDerWaalsContact CZ-CA 3.49Å; W177-G181 VanDerWaalsContact CZ3-O 3.31Å; W177-G181 WeakPolarHBondContact CZ3-O 3.13Å; S178-G181 PolarHBondContact O-N 3.08Å; S178-G181 PolarHBondContact OG-N 3.28Å
182	H	94.8	Very high	92.8	Very high	76 Å²	76	24.9 Å²	24.9	35%	0.352	15%	0.15	S	C	.	.			trans	-88.3	130.3	171	-59.7	-53.2	0	0	0	110.5	W177 S178 S381	W177-H182 WeakPolarHBondContact CA-O 3.22Å; S178-H182 PolarHBondContact N-O 2.91Å; S178-H182 PolarHBondContact OG-N 3.38Å; H182-S381 WeakPolarHBondContact ND1-CB 3.4Å; H182-S381 PolarHBondContact ND1-OG 2.86Å
183	P	96.4	Very high	92.7	Very high	5 Å²	5	26.3 Å²	26.3	3%	0.032	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	129.9	171	30.5	-34.8	0	0	0	109.5	M175 W177 Y379 L382	M175-P183 HydrophobicContact CE-CB 3.49Å; M175-P183 VanDerWaalsContact CE-CB 3.49Å; M175-P183 HydrophobicContact CG-CB 4.46Å; M175-P183 HydrophobicContact SD-CB 3.83Å; W177-P183 HydrophobicContact CE3-CB 4.25Å; W177-P183 HydrophobicContact CZ3-CB 4.22Å; W177-P183 HydrophobicContact CZ3-CG 4.48Å; P183-Y379 HydrophobicContact CG-CD1 4.08Å; P183-L382 HydrophobicContact CG-CB 3.88Å; P183-L382 HydrophobicContact CG-CD2 4.02Å; P183-L382 HydrophobicContact CG-CG 4.46Å
184	L	95	Very high	92.7	Very high	37 Å²	37	27.6 Å²	27.6	19%	0.194	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	-45.4	-172.4	-59.8	179.6	0	0	0	112.8	V176 F196 L212	V176-L184 HydrophobicContact CB-CB 4.39Å; V176-L184 HydrophobicContact CG1-CB 4.44Å; V176-L184 HydrophobicContact CG1-CD1 4.32Å; V176-L184 PolarHBondContact O-N 3.27Å; L184-F196 HydrophobicContact CB-CE2 3.9Å; L184-F196 HydrophobicContact CB-CZ 4.18Å; L184-F196 HydrophobicContact CD1-CE2 4.4Å; L184-F196 HydrophobicContact CD1-CZ 3.83Å; L184-L212 HydrophobicContact CD1-CD2 4.14Å
185	Q	95.7	Very high	92.6	Very high	32 Å²	32	29.4 Å²	29.4	15%	0.15	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.6	142	-178.9	-158.7	-174.1	-62.4	0	0	111.2	V176 T195 F196 S351	V176-Q185 PolarHBondContact N-O 2.87Å; Q185-T195 PolarHBondContact NE2-O 2.91Å; Q185-F196 HydrophobicContact CB-CD2 3.84Å; Q185-F196 HydrophobicContact CB-CE2 4.13Å; Q185-S351 WeakPolarHBondContact CG-OG 3.4Å
186	G	95.8	Very high	92.5	Very high	5 Å²	5	29.4 Å²	29.4	5%	0.052	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	144.5	165.2	0	0	0	0	0	112.2	A174 R347 S351	A174-G186 CarbonylContact O-C 3.55Å; A174-G186 WeakPolarHBondContact O-CA 3.27Å; G186-R347 PolarHBondContact N-O 2.77Å; G186-S351 PolarHBondContact N-OG 3.02Å
187	L	95	Very high	92.3	Very high	3 Å²	3	30.4 Å²	30.4	2%	0.016	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	141.1	169	-57.6	177.8	0	0	0	108.6	W168 E173 A174 V176 K193 L214	W168-L187 HydrophobicContact CB-CD1 3.97Å; W168-L187 HydrophobicContact CG-CD1 4.19Å; E173-L187 CarbonylContact C-O 3.57Å; A174-L187 HydrophobicContact CB-CB 4.26Å; A174-L187 PolarHBondContact N-O 3.34Å; A174-L187 PolarHBondContact O-N 3.46Å; V176-L187 HydrophobicContact CG2-CD1 3.87Å; V176-L187 HydrophobicContact CG2-CG 4.03Å; L187-K193 CarbonylContact C-O 3.53Å; L187-K193 VanDerWaalsContact CA-O 3.3Å; L187-K193 WeakPolarHBondContact CA-O 3.42Å; L187-K193 WeakPolarHBondContact CB-O 3.15Å; L187-L214 HydrophobicContact CD1-CD2 4.36Å
188	S	92.2	Very high	92.1	Very high	5 Å²	5	29.8 Å²	29.8	4%	0.035	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	92.5	-179.2	-61.4	0	0	0	0	107.3	E173 D190 A191 G192 K193	E173-S188 VanDerWaalsContact OE1-CB 3.23Å; E173-S188 WeakPolarHBondContact OE1-CB 3.22Å; E173-S188 PolarHBondContact OE1-OG 3.06Å; S188-D190 PolarHBondContact O-N 3.49Å; S188-A191 CarbonylContact O-C 3.56Å; S188-A191 PolarHBondContact O-N 3.17Å; S188-A191 VanDerWaalsContact O-N 3.08Å; S188-G192 PolarHBondContact O-N 3.25Å; S188-G192 VanDerWaalsContact O-N 3.16Å; S188-K193 PolarHBondContact N-O 3.24Å; S188-K193 PolarHBondContact O-N 2.84Å
189	G	85.3	Confident	91.8	Very high	13 Å²	13	31.1 Å²	31.1	13%	0.134	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-63.7	-27.6	-172.1	0	0	0	0	0	113.9	C172	C172-G189 PolarHBondContact O-N 2.99Å
190	D	82.6	Confident	91.3	Very high	70 Å²	70	33.4 Å²	33.4	37%	0.374	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	-72.6	-31.2	174	61.1	-30.3	0	0	0	113.1	S188 S220 R221	S188-D190 PolarHBondContact O-N 3.49Å; D190-S220 WeakPolarHBondContact OD2-CB 3.43Å; D190-R221 VanDerWaalsContact OD2-CB 3.27Å; D190-R221 WeakPolarHBondContact OD2-CB 3.35Å; D190-R221 PolarHBondContact OD2-N 3.15Å
191	A	83.3	Confident	90.6	Very high	26 Å²	26	30.3 Å²	30.3	22%	0.215	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-93.3	7.1	175.1	0	0	0	0	0	113.7	S188 K193 Y530	S188-A191 CarbonylContact O-C 3.56Å; S188-A191 PolarHBondContact O-N 3.17Å; S188-A191 VanDerWaalsContact O-N 3.08Å; A191-K193 PolarHBondContact O-N 3.35Å; A191-Y530 HydrophobicContact CB-CE1 4.47Å
192	G	84.4	Confident	89	Confident	51 Å²	51	31.8 Å²	31.8	53%	0.526	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.4	-2.5	-179.6	0	0	0	0	0	115.5	S188 T194	S188-G192 PolarHBondContact O-N 3.25Å; S188-G192 VanDerWaalsContact O-N 3.16Å; G192-T194 VanDerWaalsContact C-N 3.31Å; G192-T194 PolarHBondContact O-N 3.28Å; G192-T194 PolarHBondContact O-OG1 3.22Å; G192-T194 VanDerWaalsContact O-OG1 3.07Å
193	K	91.3	Very high	87.3	Confident	31 Å²	31	31.6 Å²	31.6	14%	0.135	20%	0.196	C	C	.	.	B	Isolated β-bridge	trans	-73.7	80.8	176.1	-65	-173.3	179.3	-166.9	0	110.5	L187 S188 A191 Y530 G535 G536	L187-K193 CarbonylContact C-O 3.53Å; L187-K193 VanDerWaalsContact CA-O 3.3Å; L187-K193 WeakPolarHBondContact CA-O 3.42Å; L187-K193 WeakPolarHBondContact CB-O 3.15Å; S188-K193 PolarHBondContact N-O 3.24Å; S188-K193 PolarHBondContact O-N 2.84Å; A191-K193 PolarHBondContact O-N 3.35Å; K193-Y530 VanDerWaalsContact NZ-CD2 3.3Å; K193-G535 VanDerWaalsContact NZ-C 3.31Å; K193-G535 PolarHBondContact NZ-O 3.27Å; K193-G536 PolarHBondContact NZ-O 2.92Å; K193-G536 VanDerWaalsContact NZ-O 3.09Å
194	T	94	Very high	85.3	Confident	28 Å²	28	36.6 Å²	36.6	17%	0.172	24%	0.238	C	C	.	.			trans	-120.2	10.1	-165	49.9	0	0	0	0	114.1	W168 N169 G192	W168-T194 PolarHBondContact N-O 2.82Å; W168-T194 CarbonylContact O-C 3.55Å; W168-T194 VanDerWaalsContact O-CA 3.25Å; W168-T194 WeakPolarHBondContact O-CA 3.3Å; W168-T194 WeakPolarHBondContact O-CB 3.36Å; N169-T194 HydrophobicContact CB-CG2 3.81Å; G192-T194 VanDerWaalsContact C-N 3.31Å; G192-T194 PolarHBondContact O-N 3.28Å; G192-T194 PolarHBondContact O-OG1 3.22Å; G192-T194 VanDerWaalsContact O-OG1 3.07Å
195	T	94.9	Very high	83.4	Confident	39 Å²	39	39.1 Å²	39.1	24%	0.239	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	143.2	-171.6	67.4	0	0	0	0	112.8	Y100 L166 V167 Q185	Y100-T195 WeakPolarHBondContact OH-CG2 3.5Å; L166-T195 CarbonylContact O-C 3.58Å; L166-T195 VanDerWaalsContact O-CA 3.26Å; L166-T195 WeakPolarHBondContact O-CA 3.27Å; V167-T195 HydrophobicContact CG2-CG2 4.44Å; Q185-T195 PolarHBondContact NE2-O 2.91Å
196	F	95.1	Very high	81.7	Confident	1 Å²	1	42.4 Å²	42.4	0%	0.004	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	120.6	175.3	174.9	-98	0	0	0	110.1	H165 L166 V176 L184 Q185 L198 L212	H165-F196 CarbonylContact C-O 3.54Å; H165-F196 VanDerWaalsContact CA-O 3.3Å; H165-F196 WeakPolarHBondContact CA-O 3.35Å; L166-F196 HydrophobicContact CB-CB 4.34Å; L166-F196 PolarHBondContact N-O 3.02Å; L166-F196 PolarHBondContact O-N 3.13Å; V176-F196 HydrophobicContact CB-CD2 4.36Å; V176-F196 HydrophobicContact CG1-CD1 4.23Å; V176-F196 HydrophobicContact CG1-CD2 4.21Å; V176-F196 HydrophobicContact CG1-CE1 4.22Å; V176-F196 HydrophobicContact CG1-CE2 4.2Å; V176-F196 HydrophobicContact CG1-CG 4.21Å; V176-F196 HydrophobicContact CG1-CZ 4.2Å; V176-F196 HydrophobicContact CG2-CB 4.29Å; V176-F196 HydrophobicContact CG2-CD2 4.16Å; V176-F196 HydrophobicContact CG2-CG 4.22Å; L184-F196 HydrophobicContact CB-CE2 3.9Å; L184-F196 HydrophobicContact CB-CZ 4.18Å; L184-F196 HydrophobicContact CD1-CE2 4.4Å; L184-F196 HydrophobicContact CD1-CZ 3.83Å; Q185-F196 HydrophobicContact CB-CD2 3.84Å; Q185-F196 HydrophobicContact CB-CE2 4.13Å; F196-L198 HydrophobicContact CD1-CD2 4.14Å; F196-L198 HydrophobicContact CD1-CG 4.43Å; F196-L198 HydrophobicContact CE1-CD2 4.26Å; F196-L198 PolarHBondContact O-N 2.89Å; F196-L198 VanDerWaalsContact O-N 3.15Å; F196-L212 HydrophobicContact CD1-CD1 3.9Å; F196-L212 HydrophobicContact CE1-CD1 3.77Å; F196-L212 HydrophobicContact CE1-CD2 4.45Å
197	E	93.9	Very high	80.3	Confident	21 Å²	21	51.5 Å²	51.5	10%	0.098	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	107.3	177.4	-174.1	-177.2	165.1	0	0	111.2	I163 K200 R354	I163-E197 HydrophobicContact CG2-CG 3.94Å; E197-K200 HydrophobicContact CG-CD 4.42Å; E197-K200 HydrophobicContact CG-CG 4.35Å; E197-K200 WeakPolarHBondContact OE1-CE 3.49Å; E197-K200 WeakPolarHBondContact OE1-CG 3.46Å; E197-K200 IonicContact OE1-NZ 2.69Å; E197-K200 WeakPolarHBondContact OE2-CD 3.46Å; E197-K200 WeakPolarHBondContact OE2-CE 3.44Å; E197-K200 IonicContact OE2-NZ 3.81Å; E197-K200 PolarHBondContact OE2-NZ 3.41Å; E197-R354 PolarHBondContact O-NH2 3.11Å
198	L	91.7	Very high	79.5	Confident	3 Å²	3	52 Å²	52	2%	0.016	32%	0.319	C	S	.	.	S	Bend	trans	-73	-36.5	-176.6	-74.9	165.7	0	0	0	112.5	C153 V164 L166 F196 K200 C201 L212 I246	C153-L198 HydrophobicContact CB-CD1 4.14Å; V164-L198 HydrophobicContact CG1-CD1 4.33Å; V164-L198 WeakPolarHBondContact O-CB 3.5Å; V164-L198 PolarHBondContact O-N 3.23Å; L166-L198 HydrophobicContact CB-CD1 3.92Å; L166-L198 HydrophobicContact CB-CD2 4.21Å; L166-L198 HydrophobicContact CB-CG 3.94Å; F196-L198 HydrophobicContact CD1-CD2 4.14Å; F196-L198 HydrophobicContact CD1-CG 4.43Å; F196-L198 HydrophobicContact CE1-CD2 4.26Å; F196-L198 PolarHBondContact O-N 2.89Å; F196-L198 VanDerWaalsContact O-N 3.15Å; L198-K200 PolarHBondContact O-N 2.81Å; L198-C201 PolarHBondContact O-N 3.42Å; L198-L212 HydrophobicContact CD2-CD1 3.42Å; L198-L212 VanDerWaalsContact CD2-CD1 3.42Å; L198-L212 HydrophobicContact CD2-CG 4.36Å; L198-I246 HydrophobicContact CD1-CB 4.3Å; L198-I246 HydrophobicContact CD1-CG2 3.31Å
199	T	87.7	Confident	79.4	Confident	39 Å²	39	57.3 Å²	57.3	24%	0.239	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-66	-20.7	-172.3	38.3	0	0	0	0	114	I155 K162 V164 C201 A202	I155-T199 HydrophobicContact CD1-CG2 4.45Å; K162-T199 WeakPolarHBondContact O-CG2 3.46Å; V164-T199 HydrophobicContact CB-CG2 3.87Å; V164-T199 HydrophobicContact CG2-CG2 4.05Å; V164-T199 PolarHBondContact N-OG1 3.13Å; T199-C201 VanDerWaalsContact C-N 3.33Å; T199-A202 WeakPolarHBondContact O-CB 3.27Å; T199-A202 PolarHBondContact O-N 2.89Å
200	K	82.9	Confident	79.5	Confident	82 Å²	82	58.3 Å²	58.3	36%	0.357	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-72.1	-25.8	171.5	-81.7	177.1	177.9	156.6	0	113.8	E197 L198 D358	E197-K200 HydrophobicContact CG-CD 4.42Å; E197-K200 HydrophobicContact CG-CG 4.35Å; E197-K200 WeakPolarHBondContact OE1-CE 3.49Å; E197-K200 WeakPolarHBondContact OE1-CG 3.46Å; E197-K200 IonicContact OE1-NZ 2.69Å; E197-K200 WeakPolarHBondContact OE2-CD 3.46Å; E197-K200 WeakPolarHBondContact OE2-CE 3.44Å; E197-K200 IonicContact OE2-NZ 3.81Å; E197-K200 PolarHBondContact OE2-NZ 3.41Å; L198-K200 PolarHBondContact O-N 2.81Å; K200-D358 WeakPolarHBondContact CE-OD1 3.49Å; K200-D358 IonicContact NZ-OD1 3.57Å; K200-D358 PolarHBondContact NZ-OD1 3.32Å; K200-D358 IonicContact NZ-OD2 3.94Å; K200-D358 PolarHBondContact NZ-OD2 2.63Å
201	C	75.8	Confident	80	Confident	56 Å²	56	57.2 Å²	57.2	38%	0.378	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-91.9	14.4	175.1	-60	0	0	0	0	111.7	L198 T199 D203	L198-C201 PolarHBondContact O-N 3.42Å; T199-C201 VanDerWaalsContact C-N 3.33Å; C201-D203 PolarHBondContact O-N 2.96Å; C201-D203 VanDerWaalsContact O-N 3.07Å
202	A	61.9	Low	80.6	Confident	44 Å²	44	56.4 Å²	56.4	36%	0.364	33%	0.326	S	S	.	.			trans	-71.3	105.4	-176.4	0	0	0	0	0	111.3	T199 A204 Y210	T199-A202 WeakPolarHBondContact O-CB 3.27Å; T199-A202 PolarHBondContact O-N 2.89Å; A202-A204 PolarHBondContact O-N 3.3Å; A202-Y210 HydrophobicContact CB-CE1 3.97Å; A202-Y210 WeakPolarHBondContact CB-OH 3.45Å
203	D	59	Low	81.2	Confident	73 Å²	73	54.8 Å²	54.8	39%	0.39	30%	0.304	S	S	.	.			trans	-69.9	113.7	161.7	-175.1	-15.7	0	0	0	108.1	C201 S205 K206	C201-D203 PolarHBondContact O-N 2.96Å; C201-D203 VanDerWaalsContact O-N 3.07Å; D203-S205 PolarHBondContact O-N 3.21Å; D203-S205 VanDerWaalsContact OD1-CB 3.31Å; D203-S205 WeakPolarHBondContact OD1-CB 3.31Å; D203-S205 PolarHBondContact OD1-N 3.39Å; D203-S205 PolarHBondContact OD1-OG 2.82Å; D203-S205 PolarHBondContact OD2-OG 3.19Å; D203-K206 HydrophobicContact CB-CB 4.44Å; D203-K206 HydrophobicContact CB-CD 4.35Å; D203-K206 HydrophobicContact CB-CG 4.23Å; D203-K206 PolarHBondContact O-N 2.98Å
204	A	54.6	Low	81.5	Confident	109 Å²	109	53.3 Å²	53.3	90%	0.901	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-19.1	179.9	0	0	0	0	0	113	A202	A202-A204 PolarHBondContact O-N 3.3Å
205	S	53.8	Low	81.7	Confident	90 Å²	90	52.6 Å²	52.6	63%	0.629	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-20.2	176.2	73.8	0	0	0	0	114.4	D203	D203-S205 PolarHBondContact O-N 3.21Å; D203-S205 VanDerWaalsContact OD1-CB 3.31Å; D203-S205 WeakPolarHBondContact OD1-CB 3.31Å; D203-S205 PolarHBondContact OD1-N 3.39Å; D203-S205 PolarHBondContact OD1-OG 2.82Å; D203-S205 PolarHBondContact OD2-OG 3.19Å
206	K	61.1	Low	81.8	Confident	102 Å²	102	50.7 Å²	50.7	44%	0.443	28%	0.281	S	S	.	.	S	Bend	trans	-97.6	102.2	-177.6	-65.1	-174.1	-175.2	172.4	0	109.5	D203 G208	D203-K206 HydrophobicContact CB-CB 4.44Å; D203-K206 HydrophobicContact CB-CD 4.35Å; D203-K206 HydrophobicContact CB-CG 4.23Å; D203-K206 PolarHBondContact O-N 2.98Å; K206-G208 VanDerWaalsContact C-N 3.3Å; K206-G208 PolarHBondContact O-N 3.28Å
207	Q	66.1	Low	81.9	Confident	196 Å²	196	50.9 Å²	50.9	92%	0.916	28%	0.282	S	S	*	.			trans	-59.6	80.1	-179.1	-71.2	178.2	-12.9	0	0	112.7	R209	Q207-R209 PolarHBondContact O-N 3.09Å
208	G	79	Confident	82	Confident	13 Å²	13	49.9 Å²	49.9	13%	0.134	28%	0.278	C	S	.	.	S	Bend	trans	73.7	-10.2	170.4	0	0	0	0	0	116.6	I155 K206 Y210	I155-G208 WeakPolarHBondContact CB-O 3.2Å; I155-G208 PolarHBondContact N-O 2.89Å; K206-G208 VanDerWaalsContact C-N 3.3Å; K206-G208 PolarHBondContact O-N 3.28Å; G208-Y210 WeakPolarHBondContact O-CD2 3.46Å; G208-Y210 WeakPolarHBondContact O-CE2 3.28Å
209	R	88.4	Confident	82.1	Confident	116 Å²	116	49.7 Å²	49.7	44%	0.438	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	120.1	178	-174.7	173.4	-173.2	103.9	-6.3	111.8	T152 C153 D154 Q207	T152-R209 HydrophobicContact CG2-CG 4.1Å; T152-R209 VanDerWaalsContact CG2-CZ 3.41Å; C153-R209 WeakPolarHBondContact O-CA 3.49Å; D154-R209 WeakPolarHBondContact OD1-CD 3.37Å; D154-R209 WeakPolarHBondContact OD1-CG 3.45Å; D154-R209 IonicContact OD1-CZ 2.66Å; D154-R209 IonicContact OD1-NE 2.91Å; D154-R209 IonicContact OD1-NH1 2.91Å; D154-R209 PolarHBondContact OD1-NH1 3.22Å; D154-R209 IonicContact OD2-NH1 4Å; D154-R209 PolarHBondContact OD2-NH1 3.35Å; D154-R209 VanDerWaalsContact OD2-NH1 3.1Å; Q207-R209 PolarHBondContact O-N 3.09Å
210	Y	88.9	Confident	82.3	Confident	35 Å²	35	49.4 Å²	49.4	14%	0.137	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	140.8	179	-57.4	-76.5	0	0	0	110.9	T152 C153 I155 A202 G208	T152-Y210 CarbonylContact C-O 3.32Å; T152-Y210 WeakPolarHBondContact CA-O 3.5Å; C153-Y210 PolarHBondContact N-O 3.25Å; C153-Y210 PolarHBondContact O-N 3.28Å; I155-Y210 HydrophobicContact CB-CE2 4.49Å; I155-Y210 HydrophobicContact CD1-CD2 3.73Å; I155-Y210 HydrophobicContact CD1-CE2 3.4Å; I155-Y210 HydrophobicContact CG1-CD2 3.89Å; I155-Y210 HydrophobicContact CG1-CE2 3.82Å; A202-Y210 HydrophobicContact CB-CE1 3.97Å; A202-Y210 WeakPolarHBondContact CB-OH 3.45Å; G208-Y210 WeakPolarHBondContact O-CD2 3.46Å; G208-Y210 WeakPolarHBondContact O-CE2 3.28Å
211	V	92.7	Very high	82.7	Confident	47 Å²	47	46.9 Å²	46.9	29%	0.285	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	129	176.9	-178.6	0	0	0	0	108.1	T150 V151 T152 T179	T150-V211 HydrophobicContact CG2-CG1 3.69Å; V151-V211 WeakPolarHBondContact O-CA 3.48Å; T152-V211 HydrophobicContact CG2-CG2 4.26Å; T179-V211 HydrophobicContact CG2-CB 4.16Å; T179-V211 HydrophobicContact CG2-CG1 4.31Å
212	L	94.9	Very high	83.4	Confident	9 Å²	9	46.3 Å²	46.3	5%	0.047	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	162.8	175	-63.2	173.1	0	0	0	109.6	V151 L166 V176 L184 F196 L198	V151-L212 PolarHBondContact N-O 3.41Å; V151-L212 PolarHBondContact O-N 3.19Å; L166-L212 HydrophobicContact CD2-CD1 4.22Å; V176-L212 HydrophobicContact CG1-CD1 4.02Å; V176-L212 HydrophobicContact CG1-CD2 4.42Å; L184-L212 HydrophobicContact CD1-CD2 4.14Å; F196-L212 HydrophobicContact CD1-CD1 3.9Å; F196-L212 HydrophobicContact CE1-CD1 3.77Å; F196-L212 HydrophobicContact CE1-CD2 4.45Å; L198-L212 HydrophobicContact CD2-CD1 3.42Å; L198-L212 VanDerWaalsContact CD2-CD1 3.42Å; L198-L212 HydrophobicContact CD2-CG 4.36Å
213	Y	97.5	Very high	84.8	Confident	16 Å²	16	44.2 Å²	44.2	6%	0.063	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	143.3	168.4	-61.8	-97.2	0	0	0	109.9	F120 K124 L127 F149 T150 W177 T179	F120-Y213 AromaticContact CE2-CD2 3.81Å; F120-Y213 HydrophobicContact CE2-CD2 3.81Å; F120-Y213 AromaticContact CE2-CG 3.9Å; F120-Y213 HydrophobicContact CE2-CG 3.9Å; F120-Y213 AromaticContact CZ-CD2 3.93Å; F120-Y213 HydrophobicContact CZ-CD2 3.93Å; F120-Y213 HydrophobicContact CZ-CE2 4.23Å; F120-Y213 HydrophobicContact CZ-CG 4.41Å; K124-Y213 HydrophobicContact CB-CE1 4.45Å; K124-Y213 HydrophobicContact CG-CE1 4.11Å; L127-Y213 HydrophobicContact CD1-CD1 3.56Å; L127-Y213 HydrophobicContact CD1-CE1 3.82Å; F149-Y213 CarbonylContact O-C 3.32Å; F149-Y213 WeakPolarHBondContact O-CA 3.16Å; T150-Y213 HydrophobicContact CG2-CE1 4.23Å; T150-Y213 WeakPolarHBondContact OG1-CE1 3.23Å; W177-Y213 PolarHBondContact N-O 2.98Å; W177-Y213 PolarHBondContact O-N 3.49Å; T179-Y213 HydrophobicContact CG2-CE2 4.17Å
214	L	97.7	Very high	86.5	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	128.6	171.4	-66.5	170.5	0	0	0	109.6	W148 F149 V151 W168 M175 V176 L187	W148-L214 CarbonylContact C-O 3.57Å; W148-L214 VanDerWaalsContact CA-O 3.32Å; W148-L214 WeakPolarHBondContact CA-O 3.19Å; F149-L214 HydrophobicContact CB-CB 4.21Å; F149-L214 PolarHBondContact N-O 2.85Å; F149-L214 PolarHBondContact O-N 3.19Å; V151-L214 HydrophobicContact CG2-CD1 3.54Å; V151-L214 HydrophobicContact CG2-CG 3.91Å; W168-L214 HydrophobicContact CD2-CD1 3.32Å; W168-L214 HydrophobicContact CE3-CD1 3.34Å; W168-L214 HydrophobicContact CG-CD1 3.88Å; W168-L214 HydrophobicContact CH2-CD1 3.9Å; W168-L214 HydrophobicContact CZ2-CD1 3.9Å; W168-L214 HydrophobicContact CZ3-CD1 3.63Å; M175-L214 VanDerWaalsContact O-CA 3.3Å; M175-L214 WeakPolarHBondContact O-CA 3.4Å; V176-L214 HydrophobicContact CB-CD2 4.2Å; V176-L214 HydrophobicContact CG1-CD2 4.43Å; V176-L214 HydrophobicContact CG2-CD2 3.69Å; L187-L214 HydrophobicContact CD1-CD2 4.36Å
215	E	98.1	Very high	88.2	Confident	13 Å²	13	36.8 Å²	36.8	6%	0.061	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	115.1	165.2	-179.3	-170.1	177.9	0	0	107.9	T146 W148 A174 M175 W177 R343	T146-E215 HydrophobicContact CG2-CG 3.77Å; W148-E215 HydrophobicContact CD2-CB 4.07Å; W148-E215 HydrophobicContact CD2-CG 4.29Å; W148-E215 HydrophobicContact CE3-CB 3.99Å; W148-E215 HydrophobicContact CH2-CB 3.69Å; W148-E215 HydrophobicContact CH2-CG 4.07Å; W148-E215 HydrophobicContact CZ2-CB 3.76Å; W148-E215 HydrophobicContact CZ2-CG 3.62Å; W148-E215 HydrophobicContact CZ3-CB 3.81Å; A174-E215 CarbonylContact C-O 3.4Å; A174-E215 WeakPolarHBondContact CA-O 3.47Å; M175-E215 HydrophobicContact CB-CB 4.26Å; M175-E215 PolarHBondContact N-O 2.85Å; M175-E215 PolarHBondContact O-N 2.91Å; W177-E215 PolarHBondContact NE1-OE2 2.97Å; E215-R343 WeakPolarHBondContact OE1-CD 3.21Å; E215-R343 IonicContact OE1-CZ 3.6Å; E215-R343 IonicContact OE1-NE 3.37Å; E215-R343 IonicContact OE1-NH1 2.55Å; E215-R343 PolarHBondContact OE1-NH1 3.02Å
216	V	97.3	Very high	89.6	Confident	0 Å²	0	39 Å²	39	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	125.5	179.2	179.8	0	0	0	0	109.1	M140 T146 H147 F149 W168 C172 A174	M140-V216 HydrophobicContact CE-CG1 4.01Å; M140-V216 HydrophobicContact SD-CB 4.43Å; M140-V216 HydrophobicContact SD-CG1 3.98Å; T146-V216 WeakPolarHBondContact CA-O 3.28Å; H147-V216 HydrophobicContact CB-CB 4.33Å; H147-V216 PolarHBondContact N-O 2.95Å; H147-V216 PolarHBondContact O-N 3.19Å; F149-V216 HydrophobicContact CD2-CG2 3.83Å; F149-V216 HydrophobicContact CE2-CB 4.21Å; F149-V216 HydrophobicContact CE2-CG2 3.68Å; W168-V216 HydrophobicContact CZ2-CG2 3.87Å; C172-V216 WeakPolarHBondContact SG-CG1 3.38Å; A174-V216 HydrophobicContact CB-CG2 4.04Å
217	A	96.7	Very high	90.7	Very high	4 Å²	4	38.6 Å²	38.6	3%	0.033	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	123.8	176.2	0	0	0	0	0	109.5	C172 E173 N219	C172-A217 WeakPolarHBondContact CB-O 3.48Å; E173-A217 HydrophobicContact CB-CB 4.48Å; E173-A217 PolarHBondContact O-N 3.29Å; A217-N219 VanDerWaalsContact CB-OD1 3.28Å; A217-N219 WeakPolarHBondContact CB-OD1 3.4Å; A217-N219 PolarHBondContact O-N 2.71Å
218	C	96	Very high	91.6	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.192	C	C	.	.	S	Bend	trans	-76.5	69	-177.4	-72.6	0	0	0	0	112.1	P142 W144 S145 H147 F239	P142-C218 WeakPolarHBondContact O-CB 3.5Å; W144-C218 PolarHBondContact N-O 3.12Å; S145-C218 WeakPolarHBondContact O-CB 3.37Å; S145-C218 PolarHBondContact O-N 3.4Å; S145-C218 PolarHBondContact OG-SG 3.03Å; S145-C218 VanDerWaalsContact OG-SG 3.37Å; H147-C218 PolarHBondContact CD2-SG 2.73Å; C218-F239 HydrophobicContact CB-CD2 3.79Å; C218-F239 HydrophobicContact CB-CE2 4.03Å
219	N	94.3	Very high	92	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	21%	0.205	C	C	.	.	S	Bend	trans	-158	157.3	172.5	55.1	-72.9	0	0	0	109.5	W144 C172 E173 A217	W144-N219 HydrophobicContact CE3-CB 3.68Å; W144-N219 HydrophobicContact CH2-CB 4.09Å; W144-N219 HydrophobicContact CZ3-CB 3.35Å; C172-N219 WeakPolarHBondContact CA-O 3.21Å; C172-N219 VanDerWaalsContact CB-O 3.23Å; C172-N219 WeakPolarHBondContact CB-O 3.34Å; E173-N219 WeakPolarHBondContact CG-O 3.28Å; E173-N219 PolarHBondContact N-O 2.94Å; A217-N219 VanDerWaalsContact CB-OD1 3.28Å; A217-N219 WeakPolarHBondContact CB-OD1 3.4Å; A217-N219 PolarHBondContact O-N 2.71Å
220	S	91.4	Very high	92.1	Very high	32 Å²	32	31.1 Å²	31.1	22%	0.224	19%	0.187	C	C	.	.	B	Isolated β-bridge	trans	-79.1	176	169.8	74	0	0	0	0	111.1	D190 F222 G223	D190-S220 WeakPolarHBondContact OD2-CB 3.43Å; S220-F222 PolarHBondContact O-N 3.44Å; S220-F222 PolarHBondContact OG-N 2.99Å; S220-G223 WeakPolarHBondContact CB-O 3.37Å; S220-G223 PolarHBondContact N-O 2.86Å; S220-G223 PolarHBondContact O-N 2.95Å; S220-G223 PolarHBondContact OG-N 3.02Å; S220-G223 PolarHBondContact OG-O 2.69Å
221	R	90.8	Very high	92.4	Very high	30 Å²	30	30.2 Å²	30.2	11%	0.113	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-35.9	171.5	-172.7	174.9	66.2	86	-8.5	111.9	D190 W336 K344 G531 G534	D190-R221 VanDerWaalsContact OD2-CB 3.27Å; D190-R221 WeakPolarHBondContact OD2-CB 3.35Å; D190-R221 PolarHBondContact OD2-N 3.15Å; R221-W336 WeakPolarHBondContact O-CZ3 3.39Å; R221-K344 PolarHBondContact O-NZ 3.18Å; R221-G531 PolarHBondContact NH1-O 3.37Å; R221-G534 WeakPolarHBondContact CD-O 3.42Å
222	F	91.2	Very high	92.5	Very high	43 Å²	43	30.3 Å²	30.3	19%	0.189	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96	21.1	177.1	-65.4	-72.6	0	0	0	113.7	S220 V229 W334 L335 D532	S220-F222 PolarHBondContact O-N 3.44Å; S220-F222 PolarHBondContact OG-N 2.99Å; F222-V229 HydrophobicContact CB-CB 4.36Å; F222-V229 HydrophobicContact CB-CG1 4.07Å; F222-V229 HydrophobicContact CD2-CG1 4.15Å; F222-V229 HydrophobicContact CG-CG1 4.21Å; F222-W334 AromaticContact CD1-CZ3 3.98Å; F222-W334 HydrophobicContact CD1-CZ3 3.98Å; F222-W334 HydrophobicContact CE1-CZ3 4.26Å; F222-L335 HydrophobicContact CB-CD1 4.38Å; F222-L335 VanDerWaalsContact O-CB 3.26Å; F222-L335 WeakPolarHBondContact O-CB 3.13Å; F222-L335 WeakPolarHBondContact O-CD1 3.44Å; F222-D532 HydrophobicContact CD1-CB 4.45Å; F222-D532 HydrophobicContact CE1-CB 3.72Å
223	G	92.2	Very high	92.4	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	20%	0.198	C	C	.	.	B	Isolated β-bridge	trans	85.5	-132.6	179	0	0	0	0	0	113	S220	S220-G223 WeakPolarHBondContact CB-O 3.37Å; S220-G223 PolarHBondContact N-O 2.86Å; S220-G223 PolarHBondContact O-N 2.95Å; S220-G223 PolarHBondContact OG-N 3.02Å; S220-G223 PolarHBondContact OG-O 2.69Å
224	A	93.3	Very high	92.3	Very high	2 Å²	2	32.9 Å²	32.9	2%	0.017	21%	0.206	C	C	.	.	S	Bend	trans	-133.8	21.7	-163.3	0	0	0	0	0	114.9	T143 W144 A233 E234 L237	T143-A224 HydrophobicContact CG2-CB 3.22Å; W144-A224 HydrophobicContact CH2-CB 4.09Å; W144-A224 HydrophobicContact CZ2-CB 3.67Å; A224-A233 HydrophobicContact CB-CB 4.08Å; A224-E234 PolarHBondContact O-N 3.01Å; A224-L237 HydrophobicContact CB-CD1 3.95Å; A224-L237 WeakPolarHBondContact O-CD1 3.4Å
225	G	90.6	Very high	92.1	Very high	24 Å²	24	37.1 Å²	37.1	25%	0.247	23%	0.233	C	C	.	.	B	Isolated β-bridge	trans	-63.1	139.9	172.1	0	0	0	0	0	111.5	D228	G225-D228 CarbonylContact C-O 3.47Å; G225-D228 WeakPolarHBondContact CA-O 3.35Å
226	K	83.3	Confident	91.9	Very high	137 Å²	137	40.8 Å²	40.8	60%	0.596	26%	0.26	S	S	*	.	S	Bend	trans	-102.3	116.5	179.8	-174.7	-179.2	-170.7	174.3	0	110.7	D228 E234	K226-D228 PolarHBondContact O-N 3.44Å; K226-D228 VanDerWaalsContact O-N 3.13Å; K226-E234 HydrophobicContact CB-CB 4.06Å; K226-E234 HydrophobicContact CD-CB 4.44Å; K226-E234 HydrophobicContact CD-CG 4.21Å; K226-E234 VanDerWaalsContact CD-OE2 3.27Å; K226-E234 WeakPolarHBondContact CD-OE2 3.45Å; K226-E234 IonicContact NZ-OE2 3.6Å; K226-E234 PolarHBondContact NZ-OE2 3.06Å
227	G	83.7	Confident	91.7	Very high	94 Å²	94	42.7 Å²	42.7	97%	0.969	27%	0.269	S	S	*	.	S	Bend	trans	81.6	-29.8	178.1	0	0	0	0	0	114.4
228	D	85.5	Confident	91.6	Very high	89 Å²	89	45.9 Å²	45.9	48%	0.476	29%	0.289	S	S	.	.	S	Bend	trans	-134.5	146	173.2	-164.3	-28.4	0	0	0	109.2	G225 K226 I230 A231	G225-D228 CarbonylContact C-O 3.47Å; G225-D228 WeakPolarHBondContact CA-O 3.35Å; K226-D228 PolarHBondContact O-N 3.44Å; K226-D228 VanDerWaalsContact O-N 3.13Å; D228-I230 VanDerWaalsContact C-N 3.34Å; D228-I230 PolarHBondContact OD1-N 2.87Å; D228-A231 HydrophobicContact CB-CB 4.18Å; D228-A231 WeakPolarHBondContact O-CB 3.5Å; D228-A231 PolarHBondContact O-N 3.34Å
229	V	86.6	Confident	91.5	Very high	68 Å²	68	47.3 Å²	47.3	41%	0.412	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-38.9	178.9	-69.3	0	0	0	0	111.4	F222 A231 L335	F222-V229 HydrophobicContact CB-CB 4.36Å; F222-V229 HydrophobicContact CB-CG1 4.07Å; F222-V229 HydrophobicContact CD2-CG1 4.15Å; F222-V229 HydrophobicContact CG-CG1 4.21Å; V229-A231 VanDerWaalsContact C-N 3.31Å; V229-A231 PolarHBondContact O-N 2.97Å; V229-L335 WeakPolarHBondContact O-CD1 3.37Å
230	I	92.1	Very high	91.6	Very high	11 Å²	11	49.9 Å²	49.9	6%	0.056	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	0.9	-178.9	68.8	175.5	0	0	0	113.4	D228 W334 W780 W783 S936 P937	D228-I230 VanDerWaalsContact C-N 3.34Å; D228-I230 PolarHBondContact OD1-N 2.87Å; I230-W334 HydrophobicContact CG2-CZ2 4.39Å; I230-W780 HydrophobicContact CD1-CG 4.46Å; I230-W783 HydrophobicContact CB-CZ3 4.47Å; I230-W783 HydrophobicContact CG2-CH2 4.19Å; I230-W783 HydrophobicContact CG2-CZ3 4.36Å; I230-S936 PolarHBondContact O-OG 3.5Å; I230-P937 VanDerWaalsContact O-CA 3.26Å; I230-P937 WeakPolarHBondContact O-CA 3.48Å; I230-P937 VanDerWaalsContact O-CB 3.26Å; I230-P937 WeakPolarHBondContact O-CB 3.42Å
231	A	94	Very high	91.9	Very high	16 Å²	16	48.4 Å²	48.4	13%	0.132	30%	0.3	C	S	.	.	S	Bend	trans	-63	151.8	177.3	0	0	0	0	0	110.4	D228 V229 A233	D228-A231 HydrophobicContact CB-CB 4.18Å; D228-A231 WeakPolarHBondContact O-CB 3.5Å; D228-A231 PolarHBondContact O-N 3.34Å; V229-A231 VanDerWaalsContact C-N 3.31Å; V229-A231 PolarHBondContact O-N 2.97Å; A231-A233 PolarHBondContact O-N 3.3Å
232	P	95.1	Very high	92.1	Very high	48 Å²	48	53 Å²	53	31%	0.312	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-49	142.1	169.9	-28.9	36.7	0	0	0	112.2	E234 P937 P939	P232-E234 PolarHBondContact O-N 3.44Å; P232-P937 WeakPolarHBondContact CA-O 3.46Å; P232-P939 HydrophobicContact CB-CG 4.25Å; P232-P939 HydrophobicContact CG-CB 4.26Å; P232-P939 HydrophobicContact CG-CG 4.26Å
233	A	93.8	Very high	92.4	Very high	32 Å²	32	53 Å²	53	26%	0.264	33%	0.325	S	S	.	.	B	Isolated β-bridge	trans	-59.9	120.5	-180	0	0	0	0	0	110.8	W144 A224 A231 P235 I653	W144-A233 HydrophobicContact CZ2-CB 4.38Å; A224-A233 HydrophobicContact CB-CB 4.08Å; A231-A233 PolarHBondContact O-N 3.3Å; A233-P235 WeakPolarHBondContact O-CD 3.27Å; A233-I653 HydrophobicContact CB-CD1 4.35Å; A233-I653 HydrophobicContact CB-CG2 4.42Å
234	E	94.4	Very high	92.6	Very high	48 Å²	48	53.2 Å²	53.2	22%	0.224	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-73.6	119	175.4	166.6	70.1	-103.8	0	0	108.6	T143 A224 K226 P232 C236 L237	T143-E234 VanDerWaalsContact CB-O 3.31Å; T143-E234 WeakPolarHBondContact CB-O 3.47Å; T143-E234 PolarHBondContact OG1-O 2.9Å; A224-E234 PolarHBondContact O-N 3.01Å; K226-E234 HydrophobicContact CB-CB 4.06Å; K226-E234 HydrophobicContact CD-CB 4.44Å; K226-E234 HydrophobicContact CD-CG 4.21Å; K226-E234 VanDerWaalsContact CD-OE2 3.27Å; K226-E234 WeakPolarHBondContact CD-OE2 3.45Å; K226-E234 IonicContact NZ-OE2 3.6Å; K226-E234 PolarHBondContact NZ-OE2 3.06Å; P232-E234 PolarHBondContact O-N 3.44Å; E234-C236 VanDerWaalsContact C-N 3.28Å; E234-C236 PolarHBondContact O-N 2.9Å; E234-C236 PolarHBondContact OE1-N 3.44Å; E234-L237 HydrophobicContact CB-CD1 4.19Å; E234-L237 HydrophobicContact CB-CD2 4.02Å; E234-L237 HydrophobicContact CB-CG 3.76Å; E234-L237 HydrophobicContact CG-CD2 3.62Å; E234-L237 HydrophobicContact CG-CG 3.6Å
235	P	93.6	Very high	92.8	Very high	89 Å²	89	55.5 Å²	55.5	58%	0.578	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-23.9	-173.5	25	-35.9	0	0	0	114	P142 T143 A233	P142-P235 WeakPolarHBondContact CB-O 3.39Å; T143-P235 WeakPolarHBondContact CB-O 3.45Å; T143-P235 PolarHBondContact N-O 3Å; T143-P235 PolarHBondContact OG1-O 3.21Å; A233-P235 WeakPolarHBondContact O-CD 3.27Å
236	C	94.4	Very high	93.1	Very high	90 Å²	90	54.3 Å²	54.3	61%	0.608	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.5	28.3	-169.8	-64.6	0	0	0	0	113.8	E234	E234-C236 VanDerWaalsContact C-N 3.28Å; E234-C236 PolarHBondContact O-N 2.9Å; E234-C236 PolarHBondContact OE1-N 3.44Å
237	L	92.5	Very high	93.7	Very high	39 Å²	39	47.8 Å²	47.8	20%	0.204	30%	0.296	C	S	.	.			trans	-64.5	139.4	174.9	-67.3	174.9	0	0	0	110.8	P142 T143 A224 E234 F239	P142-L237 CarbonylContact C-O 3.5Å; P142-L237 WeakPolarHBondContact CA-O 3.33Å; T143-L237 PolarHBondContact N-O 3.15Å; T143-L237 VanDerWaalsContact OG1-CB 3.32Å; T143-L237 WeakPolarHBondContact OG1-CB 3.25Å; T143-L237 PolarHBondContact OG1-N 3.2Å; A224-L237 HydrophobicContact CB-CD1 3.95Å; A224-L237 WeakPolarHBondContact O-CD1 3.4Å; E234-L237 HydrophobicContact CB-CD1 4.19Å; E234-L237 HydrophobicContact CB-CD2 4.02Å; E234-L237 HydrophobicContact CB-CG 3.76Å; E234-L237 HydrophobicContact CG-CD2 3.62Å; E234-L237 HydrophobicContact CG-CG 3.6Å; L237-F239 HydrophobicContact CB-CE2 4.12Å
238	T	94.6	Very high	94.3	Very high	72 Å²	72	44 Å²	44	44%	0.442	25%	0.254	S	S	.	.			trans	-119.2	149.2	172.6	61.7	0	0	0	0	110.6	E139 M140	E139-T238 HydrophobicContact CG-CG2 4.22Å; M140-T238 CarbonylContact O-C 3.55Å; M140-T238 VanDerWaalsContact O-CA 3.26Å; M140-T238 WeakPolarHBondContact O-CA 3.17Å
239	F	95	Very high	94.8	Very high	30 Å²	30	40.3 Å²	40.3	13%	0.132	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	162.2	179.8	-64.1	-89.1	0	0	0	109.2	E139 M140 G171 C172 C218 L237	E139-F239 CarbonylContact C-O 3.53Å; E139-F239 WeakPolarHBondContact CA-O 3.39Å; M140-F239 HydrophobicContact CE-CB 4.43Å; M140-F239 PolarHBondContact N-O 3.14Å; M140-F239 PolarHBondContact O-N 3.22Å; G171-F239 WeakPolarHBondContact O-CD1 3.47Å; G171-F239 WeakPolarHBondContact O-CE1 3.31Å; C172-F239 HydrophobicContact CB-CB 4.49Å; C172-F239 HydrophobicContact CB-CD1 3.63Å; C172-F239 HydrophobicContact CB-CD2 4.44Å; C172-F239 HydrophobicContact CB-CE1 3.88Å; C172-F239 HydrophobicContact CB-CG 3.93Å; C172-F239 HydrophobicContact CB-CZ 4.4Å; C218-F239 HydrophobicContact CB-CD2 3.79Å; C218-F239 HydrophobicContact CB-CE2 4.03Å; L237-F239 HydrophobicContact CB-CE2 4.12Å
240	T	96	Very high	95.2	Very high	53 Å²	53	40.1 Å²	40.1	33%	0.325	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	138.4	-176.2	-43.1	0	0	0	0	110.5	G137 L138 S170 K242	G137-T240 VanDerWaalsContact C-CG2 3.44Å; G137-T240 WeakPolarHBondContact O-CG2 3.31Å; L138-T240 WeakPolarHBondContact O-CA 3.42Å; S170-T240 CarbonylContact C-O 3.48Å; S170-T240 WeakPolarHBondContact CA-O 3.36Å; T240-K242 PolarHBondContact O-N 2.77Å
241	V	96.9	Very high	95.3	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.006	24%	0.243	C	C	.	.			trans	-67.9	99.8	168.9	-176.4	0	0	0	0	108.8	G137 L138 M140 F149 W168 A244	G137-V241 PolarHBondContact N-O 2.88Å; L138-V241 HydrophobicContact CB-CG2 4.28Å; L138-V241 PolarHBondContact O-N 2.98Å; M140-V241 HydrophobicContact CE-CG2 3.7Å; M140-V241 HydrophobicContact SD-CG2 4.01Å; F149-V241 HydrophobicContact CE1-CG2 4.35Å; F149-V241 HydrophobicContact CZ-CG2 4.07Å; W168-V241 HydrophobicContact CH2-CG1 3.92Å; W168-V241 HydrophobicContact CH2-CG2 4.13Å; W168-V241 HydrophobicContact CZ2-CG1 4.26Å; W168-V241 HydrophobicContact CZ2-CG2 4.18Å; W168-V241 HydrophobicContact CZ3-CG1 4.15Å; V241-A244 HydrophobicContact CG1-CB 4.25Å
242	K	96.2	Very high	95.4	Very high	128 Å²	128	45.5 Å²	45.5	56%	0.557	26%	0.255	S	S	*	.			trans	-81.3	-39.8	-177.8	-61.5	178.2	-176.7	174.8	0	112.4	I136 N169 T240	I136-K242 WeakPolarHBondContact CG2-O 3.37Å; N169-K242 HydrophobicContact CB-CB 4.37Å; N169-K242 WeakPolarHBondContact O-CA 3.2Å; N169-K242 WeakPolarHBondContact O-CB 3.47Å; N169-K242 PolarHBondContact O-N 2.86Å; T240-K242 PolarHBondContact O-N 2.77Å
243	T	96.3	Very high	95.4	Very high	42 Å²	42	43.4 Å²	43.4	26%	0.258	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	139.4	178.7	59.5	0	0	0	0	110.8	W168 N169	W168-T243 WeakPolarHBondContact CA-O 3.48Å; N169-T243 WeakPolarHBondContact CB-OG1 3.41Å; N169-T243 PolarHBondContact N-O 2.81Å; N169-T243 PolarHBondContact N-OG1 3.1Å; N169-T243 VanDerWaalsContact N-OG1 3.15Å; N169-T243 PolarHBondContact O-N 3.01Å
244	A	97	Very high	95.5	Very high	4 Å²	4	42.1 Å²	42.1	3%	0.033	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	98.9	171.2	0	0	0	0	0	108.3	V106 L108 I136 V167 W168 V241	V106-A244 HydrophobicContact CG2-CB 4.01Å; V106-A244 WeakPolarHBondContact CG2-O 3.36Å; L108-A244 HydrophobicContact CD1-CB 3.87Å; L108-A244 HydrophobicContact CD2-CB 4.44Å; I136-A244 HydrophobicContact CG1-CB 4.49Å; V167-A244 WeakPolarHBondContact O-CA 3.34Å; W168-A244 HydrophobicContact CE3-CB 3.66Å; W168-A244 HydrophobicContact CZ3-CB 3.69Å; V241-A244 HydrophobicContact CG1-CB 4.25Å
245	Q	97.2	Very high	95.6	Very high	50 Å²	50	41.2 Å²	41.2	23%	0.234	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.4	163.6	-176.2	61.3	-170.9	22	0	0	110.9	M103 A104 V167	M103-Q245 PolarHBondContact SD-NE2 3.01Å; A104-Q245 WeakPolarHBondContact O-CB 3.44Å; V167-Q245 HydrophobicContact CB-CG 4.15Å; V167-Q245 PolarHBondContact N-O 3.48Å; V167-Q245 PolarHBondContact O-N 3.24Å; V167-Q245 VanDerWaalsContact O-N 3.14Å
246	I	96.7	Very high	95.8	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	145.6	167.7	57.8	172	0	0	0	110.7	M103 A104 V106 C153 D154 I155 W159 V164 H165 L198	M103-I246 CarbonylContact C-O 3.57Å; M103-I246 WeakPolarHBondContact CA-O 3.42Å; A104-I246 HydrophobicContact CB-CD1 4.14Å; A104-I246 HydrophobicContact CB-CG1 3.82Å; A104-I246 PolarHBondContact N-O 3Å; A104-I246 WeakPolarHBondContact O-CG1 3.31Å; A104-I246 PolarHBondContact O-N 3.12Å; V106-I246 HydrophobicContact CG1-CG2 3.77Å; C153-I246 HydrophobicContact CB-CG2 3.81Å; D154-I246 WeakPolarHBondContact O-CD1 3.18Å; I155-I246 HydrophobicContact CG1-CD1 4.2Å; W159-I246 HydrophobicContact CE3-CD1 4.44Å; W159-I246 HydrophobicContact CH2-CD1 4.4Å; W159-I246 HydrophobicContact CH2-CG1 4.24Å; W159-I246 HydrophobicContact CZ3-CB 4.42Å; W159-I246 HydrophobicContact CZ3-CD1 3.71Å; W159-I246 HydrophobicContact CZ3-CG1 3.8Å; V164-I246 HydrophobicContact CG1-CB 3.99Å; H165-I246 CarbonylContact O-C 3.6Å; H165-I246 VanDerWaalsContact O-CA 3.28Å; H165-I246 WeakPolarHBondContact O-CA 3.11Å; L198-I246 HydrophobicContact CD1-CB 4.3Å; L198-I246 HydrophobicContact CD1-CG2 3.31Å
247	A	96.9	Very high	95.9	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	140.9	179.9	0	0	0	0	0	111.2	Y100 M103 V164 H165 V167 F249	Y100-A247 HydrophobicContact CD1-CB 3.68Å; Y100-A247 HydrophobicContact CE1-CB 4.49Å; Y100-A247 HydrophobicContact CG-CB 4.27Å; M103-A247 HydrophobicContact CE-CB 4.47Å; M103-A247 HydrophobicContact CG-CB 3.81Å; V164-A247 WeakPolarHBondContact CA-O 3.48Å; H165-A247 PolarHBondContact N-O 2.99Å; H165-A247 PolarHBondContact O-N 3.43Å; V167-A247 HydrophobicContact CG2-CB 3.98Å; A247-F249 PolarHBondContact O-N 2.85Å
248	V	96.2	Very high	96.1	Very high	14 Å²	14	31 Å²	31	9%	0.085	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	119.9	169.9	176.8	0	0	0	0	108.8	Y100 G101 P102 W159 K162	Y100-V248 CarbonylContact C-O 3.51Å; Y100-V248 WeakPolarHBondContact CA-O 3.42Å; G101-V248 PolarHBondContact N-O 2.91Å; P102-V248 PolarHBondContact O-N 3.16Å; W159-V248 HydrophobicContact CB-CG2 4.27Å; W159-V248 HydrophobicContact CD2-CG2 3.39Å; W159-V248 HydrophobicContact CE3-CG2 3.6Å; W159-V248 HydrophobicContact CG-CG2 3.67Å; W159-V248 HydrophobicContact CH2-CG2 4.49Å; W159-V248 HydrophobicContact CZ2-CG2 4.36Å; W159-V248 HydrophobicContact CZ3-CG2 4.14Å; K162-V248 HydrophobicContact CB-CG1 4.02Å; K162-V248 HydrophobicContact CD-CG1 4.11Å; K162-V248 HydrophobicContact CG-CG1 4.28Å
249	F	96.1	Very high	96.2	Very high	11 Å²	11	27.7 Å²	27.7	5%	0.048	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	131.4	178	-179.4	-106.3	0	0	0	110.5	L99 Y100 I163 H165 A247 E251 Y254	L99-F249 HydrophobicContact CD1-CD2 4.2Å; L99-F249 HydrophobicContact CD1-CE2 3.6Å; L99-F249 HydrophobicContact CD1-CZ 4.17Å; L99-F249 HydrophobicContact CG-CD2 4.42Å; L99-F249 HydrophobicContact CG-CE2 4.07Å; Y100-F249 HydrophobicContact CD1-CD2 4.27Å; Y100-F249 HydrophobicContact CE1-CB 4.37Å; Y100-F249 AromaticContact CE1-CD2 3.62Å; Y100-F249 HydrophobicContact CE1-CD2 3.62Å; Y100-F249 HydrophobicContact CE1-CE2 4.45Å; Y100-F249 HydrophobicContact CE1-CG 4.48Å; Y100-F249 AromaticContact CZ-CD2 3.97Å; I163-F249 HydrophobicContact CG2-CB 4.14Å; I163-F249 HydrophobicContact CG2-CD1 4.17Å; I163-F249 PolarHBondContact O-N 2.93Å; H165-F249 AromaticContact CE1-CD1 3.72Å; H165-F249 AromaticContact CE1-CD2 3.61Å; H165-F249 AromaticContact CE1-CE2 3.94Å; H165-F249 AromaticContact CE1-CG 3.46Å; H165-F249 VanDerWaalsContact CE1-CG 3.46Å; H165-F249 WeakPolarHBondContact CE1-CG 3.38Å; H165-F249 AromaticContact ND1-CD2 3.86Å; H165-F249 AromaticContact ND1-CG 3.95Å; H165-F249 AromaticContact NE2-CD1 3.6Å; H165-F249 AromaticContact NE2-CG 3.52Å; A247-F249 PolarHBondContact O-N 2.85Å; F249-E251 HydrophobicContact CD1-CB 4.3Å; F249-E251 HydrophobicContact CE1-CB 4.11Å; F249-Y254 HydrophobicContact CE1-CG 4.4Å; F249-Y254 HydrophobicContact CE2-CD2 4.25Å; F249-Y254 HydrophobicContact CE2-CG 4.39Å; F249-Y254 HydrophobicContact CZ-CD1 4.15Å; F249-Y254 AromaticContact CZ-CD2 3.81Å; F249-Y254 HydrophobicContact CZ-CD2 3.81Å; F249-Y254 AromaticContact CZ-CG 3.58Å; F249-Y254 HydrophobicContact CZ-CG 3.58Å
250	N	95.1	Very high	96.3	Very high	64 Å²	64	26.2 Å²	26.2	34%	0.342	13%	0.134	S	C	.	.			trans	-99.4	95.2	177.1	-169.4	-24.4	0	0	0	110.5	L99 N252 V253 Y254	L99-N250 WeakPolarHBondContact O-CB 3.43Å; L99-N250 PolarHBondContact O-N 2.93Å; N250-N252 PolarHBondContact OD1-N 3.28Å; N250-V253 HydrophobicContact CB-CB 4.05Å; N250-V253 HydrophobicContact CB-CG2 4.18Å; N250-V253 VanDerWaalsContact CG-CG2 3.42Å; N250-V253 VanDerWaalsContact ND2-CG2 3.28Å; N250-V253 WeakPolarHBondContact ND2-CG2 3.26Å; N250-V253 PolarHBondContact O-N 3.07Å; N250-V253 PolarHBondContact OD1-N 3.48Å; N250-Y254 PolarHBondContact O-N 3.11Å
251	E	94.3	Very high	96.3	Very high	70 Å²	70	26.1 Å²	26.1	33%	0.327	13%	0.132	S	C	.	.	H	α-helix	trans	-62.5	-43.1	-177.5	-175.4	160.9	-111.4	0	0	113.1	I163 F249 V253 Y254 D255 R539	I163-E251 HydrophobicContact CD1-CB 3.98Å; I163-E251 WeakPolarHBondContact CD1-OE2 3.25Å; F249-E251 HydrophobicContact CD1-CB 4.3Å; F249-E251 HydrophobicContact CE1-CB 4.11Å; E251-V253 VanDerWaalsContact C-N 3.26Å; E251-V253 PolarHBondContact O-N 3.01Å; E251-Y254 WeakPolarHBondContact O-CA 3.3Å; E251-Y254 VanDerWaalsContact O-CB 3.31Å; E251-Y254 WeakPolarHBondContact O-CB 3.21Å; E251-Y254 PolarHBondContact O-N 3.25Å; E251-D255 PolarHBondContact O-N 2.82Å; E251-R539 IonicContact OE1-CZ 3.93Å; E251-R539 IonicContact OE1-NH2 3.97Å; E251-R539 PolarHBondContact OE1-NH2 3.16Å
252	N	94.7	Very high	96.3	Very high	70 Å²	70	26.2 Å²	26.2	37%	0.374	13%	0.132	S	C	.	.	H	α-helix	trans	-60.8	-36.6	177.6	-64.3	-4.9	0	0	0	112.1	N250 L256 I299 E300	N250-N252 PolarHBondContact OD1-N 3.28Å; N252-L256 WeakPolarHBondContact O-CB 3.41Å; N252-L256 PolarHBondContact O-N 3.02Å; N252-L256 VanDerWaalsContact O-N 3.17Å; N252-I299 HydrophobicContact CB-CG2 3.88Å; N252-I299 VanDerWaalsContact O-CG2 3.26Å; N252-I299 WeakPolarHBondContact O-CG2 3.39Å; N252-E300 PolarHBondContact ND2-OE1 3.14Å
253	V	96.1	Very high	96.3	Very high	4 Å²	4	20.1 Å²	20.1	2%	0.024	11%	0.106	C	C	.	.	H	α-helix	trans	-69.6	-38.1	175.1	169.6	0	0	0	0	111	L95 R98 N250 E251 L256 I257 I299	L95-V253 HydrophobicContact CB-CG1 4.23Å; L95-V253 HydrophobicContact CD2-CG1 4.16Å; L95-V253 WeakPolarHBondContact O-CG1 3.19Å; R98-V253 HydrophobicContact CB-CG1 4.4Å; N250-V253 HydrophobicContact CB-CB 4.05Å; N250-V253 HydrophobicContact CB-CG2 4.18Å; N250-V253 VanDerWaalsContact CG-CG2 3.42Å; N250-V253 VanDerWaalsContact ND2-CG2 3.28Å; N250-V253 WeakPolarHBondContact ND2-CG2 3.26Å; N250-V253 PolarHBondContact O-N 3.07Å; N250-V253 PolarHBondContact OD1-N 3.48Å; E251-V253 VanDerWaalsContact C-N 3.26Å; E251-V253 PolarHBondContact O-N 3.01Å; V253-L256 PolarHBondContact O-N 2.96Å; V253-I257 HydrophobicContact CG1-CD1 3.95Å; V253-I257 WeakPolarHBondContact O-CD1 3.3Å; V253-I257 VanDerWaalsContact O-CG1 3.27Å; V253-I257 WeakPolarHBondContact O-CG1 3.38Å; V253-I257 PolarHBondContact O-N 3.2Å; V253-I299 HydrophobicContact CG2-CD1 4.38Å; V253-I299 HydrophobicContact CG2-CG1 4.31Å; V253-I299 HydrophobicContact CG2-CG2 4.35Å
254	Y	96.2	Very high	96.3	Very high	5 Å²	5	18.8 Å²	18.8	2%	0.02	10%	0.097	C	C	.	.	H	α-helix	trans	-62.4	-48	174.7	-178.8	-103.9	0	0	0	112.1	L99 F249 N250 E251 L256 I257 M258 R539 E540 E543	L99-Y254 HydrophobicContact CD1-CD2 4.07Å; L99-Y254 HydrophobicContact CD1-CG 4.38Å; F249-Y254 HydrophobicContact CE1-CG 4.4Å; F249-Y254 HydrophobicContact CE2-CD2 4.25Å; F249-Y254 HydrophobicContact CE2-CG 4.39Å; F249-Y254 HydrophobicContact CZ-CD1 4.15Å; F249-Y254 AromaticContact CZ-CD2 3.81Å; F249-Y254 HydrophobicContact CZ-CD2 3.81Å; F249-Y254 AromaticContact CZ-CG 3.58Å; F249-Y254 HydrophobicContact CZ-CG 3.58Å; N250-Y254 PolarHBondContact O-N 3.11Å; E251-Y254 WeakPolarHBondContact O-CA 3.3Å; E251-Y254 VanDerWaalsContact O-CB 3.31Å; E251-Y254 WeakPolarHBondContact O-CB 3.21Å; E251-Y254 PolarHBondContact O-N 3.25Å; Y254-L256 VanDerWaalsContact C-N 3.28Å; Y254-L256 PolarHBondContact O-N 3.43Å; Y254-I257 WeakPolarHBondContact O-CA 3.47Å; Y254-I257 WeakPolarHBondContact O-CB 3.41Å; Y254-I257 PolarHBondContact O-N 3.44Å; Y254-M258 HydrophobicContact CD1-CG 4.29Å; Y254-M258 HydrophobicContact CE1-CG 3.96Å; Y254-M258 HydrophobicContact CE2-CG 4.47Å; Y254-M258 HydrophobicContact CE2-SD 4.42Å; Y254-M258 WeakPolarHBondContact O-CG 3.48Å; Y254-M258 PolarHBondContact O-N 3.48Å; Y254-R539 HydrophobicContact CE1-CG 4.15Å; Y254-R539 WeakPolarHBondContact OH-CG 3.41Å; Y254-E540 WeakPolarHBondContact CE2-OE1 3.43Å; Y254-E540 PolarHBondContact OH-N 3.42Å; Y254-E540 PolarHBondContact OH-OE1 2.97Å; Y254-E543 HydrophobicContact CE1-CG 3.8Å
255	D	96	Very high	96.3	Very high	30 Å²	30	19.7 Å²	19.7	16%	0.16	11%	0.105	C	C	.	.	H	α-helix	trans	-58.3	-43.7	178	-75.8	-22.2	0	0	0	111.4	E251 I257 M258 D259 R547	E251-D255 PolarHBondContact O-N 2.82Å; D255-I257 VanDerWaalsContact C-N 3.33Å; D255-I257 PolarHBondContact O-N 2.79Å; D255-M258 PolarHBondContact O-N 3.4Å; D255-M258 VanDerWaalsContact O-N 3.15Å; D255-D259 PolarHBondContact O-N 3.04Å; D255-R547 PolarHBondContact O-NH2 2.98Å; D255-R547 IonicContact OD1-NH2 2.66Å
256	L	97.1	Very high	96.2	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-64.8	-37	176.6	-174.1	62.5	0	0	0	112.3	L95 N252 V253 Y254 M258 D259 F260 M287 A291 I299 A302	L95-L256 HydrophobicContact CD1-CB 4.48Å; L95-L256 HydrophobicContact CD1-CD2 3.79Å; L95-L256 HydrophobicContact CD1-CG 3.88Å; L95-L256 HydrophobicContact CD2-CD2 3.92Å; N252-L256 WeakPolarHBondContact O-CB 3.41Å; N252-L256 PolarHBondContact O-N 3.02Å; N252-L256 VanDerWaalsContact O-N 3.17Å; V253-L256 PolarHBondContact O-N 2.96Å; Y254-L256 VanDerWaalsContact C-N 3.28Å; Y254-L256 PolarHBondContact O-N 3.43Å; L256-M258 VanDerWaalsContact C-N 3.32Å; L256-D259 PolarHBondContact O-N 3Å; L256-F260 HydrophobicContact CD1-CD2 4.36Å; L256-F260 HydrophobicContact CD1-CE2 4.1Å; L256-F260 HydrophobicContact CD2-CE2 4.38Å; L256-F260 HydrophobicContact CG-CD2 4.12Å; L256-F260 HydrophobicContact CG-CE2 3.98Å; L256-F260 VanDerWaalsContact O-CD2 3.23Å; L256-F260 WeakPolarHBondContact O-CD2 3.27Å; L256-F260 PolarHBondContact O-N 2.75Å; L256-F260 VanDerWaalsContact O-N 3.08Å; L256-M287 HydrophobicContact CD1-CE 3.46Å; L256-M287 VanDerWaalsContact CD1-CE 3.46Å; L256-A291 HydrophobicContact CD2-CB 3.83Å; L256-I299 HydrophobicContact CB-CG2 4.18Å; L256-I299 HydrophobicContact CD2-CD1 3.83Å; L256-I299 HydrophobicContact CD2-CG2 3.96Å; L256-A302 HydrophobicContact CD1-CB 3.74Å; L256-A302 HydrophobicContact CD2-CB 3.96Å
257	I	97.3	Very high	96.1	Very high	1 Å²	1	17.5 Å²	17.5	1%	0.005	10%	0.095	C	C	.	.	H	α-helix	trans	-60.5	-44	172.6	-76.1	162.2	0	0	0	110.5	V85 L95 R96 L99 V253 Y254 D255 D259 F260 D261	V85-I257 HydrophobicContact CG1-CB 4.49Å; V85-I257 HydrophobicContact CG1-CG1 4.09Å; L95-I257 HydrophobicContact CB-CD1 4.04Å; L95-I257 HydrophobicContact CB-CG1 3.71Å; L95-I257 HydrophobicContact CD1-CG1 4.18Å; R96-I257 VanDerWaalsContact NH2-CG2 3.27Å; L99-I257 HydrophobicContact CD1-CD1 4.28Å; V253-I257 HydrophobicContact CG1-CD1 3.95Å; V253-I257 WeakPolarHBondContact O-CD1 3.3Å; V253-I257 VanDerWaalsContact O-CG1 3.27Å; V253-I257 WeakPolarHBondContact O-CG1 3.38Å; V253-I257 PolarHBondContact O-N 3.2Å; Y254-I257 WeakPolarHBondContact O-CA 3.47Å; Y254-I257 WeakPolarHBondContact O-CB 3.41Å; Y254-I257 PolarHBondContact O-N 3.44Å; D255-I257 VanDerWaalsContact C-N 3.33Å; D255-I257 PolarHBondContact O-N 2.79Å; I257-D259 VanDerWaalsContact C-N 3.34Å; I257-F260 WeakPolarHBondContact O-CB 3.46Å; I257-F260 PolarHBondContact O-N 2.96Å; I257-D261 PolarHBondContact O-N 2.83Å
258	M	96.8	Very high	96	Very high	2 Å²	2	21.1 Å²	21.1	1%	0.01	12%	0.12	C	C	.	.	H	α-helix	trans	-67.5	-33.7	179.2	-66.2	-50.9	-55.5	0	0	112.4	Y254 D255 L256 D261 V262 E540 E543 R544 R547	Y254-M258 HydrophobicContact CD1-CG 4.29Å; Y254-M258 HydrophobicContact CE1-CG 3.96Å; Y254-M258 HydrophobicContact CE2-CG 4.47Å; Y254-M258 HydrophobicContact CE2-SD 4.42Å; Y254-M258 WeakPolarHBondContact O-CG 3.48Å; Y254-M258 PolarHBondContact O-N 3.48Å; D255-M258 PolarHBondContact O-N 3.4Å; D255-M258 VanDerWaalsContact O-N 3.15Å; L256-M258 VanDerWaalsContact C-N 3.32Å; M258-D261 WeakPolarHBondContact O-CB 3.26Å; M258-D261 PolarHBondContact O-N 3.44Å; M258-V262 PolarHBondContact O-N 2.93Å; M258-V262 VanDerWaalsContact O-N 3.12Å; M258-E540 HydrophobicContact CE-CB 4.33Å; M258-E540 WeakPolarHBondContact CE-O 3.42Å; M258-E540 HydrophobicContact SD-CG 4.33Å; M258-E543 HydrophobicContact CB-CB 4.28Å; M258-E543 HydrophobicContact CE-CB 3.89Å; M258-E543 HydrophobicContact CG-CB 3.88Å; M258-E543 HydrophobicContact CG-CG 4.21Å; M258-E543 HydrophobicContact SD-CB 4.49Å; M258-R544 HydrophobicContact CE-CG 3.63Å; M258-R547 VanDerWaalsContact CB-CZ 3.49Å
259	D	96.9	Very high	96	Very high	2 Å²	2	22 Å²	22	1%	0.011	13%	0.129	C	C	.	.	H	α-helix	trans	-61.6	-47.7	171.4	-59.1	-23	0	0	0	111.2	D255 L256 I257 D261 V262 L263 M287 H303 A306 R547	D255-D259 PolarHBondContact O-N 3.04Å; L256-D259 PolarHBondContact O-N 3Å; I257-D259 VanDerWaalsContact C-N 3.34Å; D259-D261 VanDerWaalsContact C-N 3.3Å; D259-D261 PolarHBondContact O-N 3.23Å; D259-V262 PolarHBondContact O-N 3.4Å; D259-L263 WeakPolarHBondContact O-CB 3.34Å; D259-L263 VanDerWaalsContact O-CG 3.25Å; D259-L263 WeakPolarHBondContact O-CG 3.48Å; D259-L263 PolarHBondContact O-N 2.99Å; D259-M287 HydrophobicContact CB-CE 3.7Å; D259-H303 IonicContact OD1-CE1 3.7Å; D259-H303 IonicContact OD1-ND1 3.03Å; D259-H303 IonicContact OD2-CE1 2.93Å; D259-H303 IonicContact OD2-CG 3.3Å; D259-H303 IonicContact OD2-ND1 3.32Å; D259-H303 PolarHBondContact OD2-ND1 2.81Å; D259-A306 HydrophobicContact CB-CB 3.7Å; D259-R547 IonicContact OD1-CZ 3.01Å; D259-R547 VanDerWaalsContact OD1-CZ 3.27Å; D259-R547 IonicContact OD1-NE 2.74Å; D259-R547 PolarHBondContact OD1-NE 3.27Å; D259-R547 IonicContact OD1-NH2 2.87Å; D259-R547 PolarHBondContact OD1-NH2 3.46Å
260	F	97.4	Very high	95.8	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-61.5	-38.7	175.6	-87.8	-65.4	0	0	0	112.2	F84 V85 L95 L256 I257 N264 A284 M287 V288	F84-F260 HydrophobicContact CD1-CD2 4.42Å; F84-F260 AromaticContact CD1-CE2 3.68Å; F84-F260 HydrophobicContact CD1-CE2 3.68Å; F84-F260 AromaticContact CD1-CZ 3.8Å; F84-F260 HydrophobicContact CD1-CZ 3.8Å; F84-F260 HydrophobicContact CE1-CE2 4.05Å; F84-F260 HydrophobicContact CE1-CZ 4.31Å; V85-F260 HydrophobicContact CB-CB 4.46Å; V85-F260 HydrophobicContact CG1-CB 3.58Å; V85-F260 HydrophobicContact CG1-CD2 3.72Å; V85-F260 HydrophobicContact CG1-CG 3.79Å; V85-F260 HydrophobicContact CG2-CB 4.14Å; L95-F260 HydrophobicContact CD1-CD2 3.72Å; L95-F260 HydrophobicContact CD1-CE2 3.72Å; L256-F260 HydrophobicContact CD1-CD2 4.36Å; L256-F260 HydrophobicContact CD1-CE2 4.1Å; L256-F260 HydrophobicContact CD2-CE2 4.38Å; L256-F260 HydrophobicContact CG-CD2 4.12Å; L256-F260 HydrophobicContact CG-CE2 3.98Å; L256-F260 VanDerWaalsContact O-CD2 3.23Å; L256-F260 WeakPolarHBondContact O-CD2 3.27Å; L256-F260 PolarHBondContact O-N 2.75Å; L256-F260 VanDerWaalsContact O-N 3.08Å; I257-F260 WeakPolarHBondContact O-CB 3.46Å; I257-F260 PolarHBondContact O-N 2.96Å; F260-N264 WeakPolarHBondContact O-CB 3.45Å; F260-N264 PolarHBondContact O-N 2.7Å; F260-N264 PolarHBondContact O-ND2 2.91Å; F260-A284 HydrophobicContact CD1-CB 4.23Å; F260-A284 HydrophobicContact CE1-CB 4.09Å; F260-A284 VanDerWaalsContact CE1-O 3.31Å; F260-A284 WeakPolarHBondContact CE1-O 3.49Å; F260-M287 HydrophobicContact CD1-CE 4.38Å; F260-M287 HydrophobicContact CD2-CE 4.04Å; F260-M287 HydrophobicContact CE1-CB 4.07Å; F260-M287 HydrophobicContact CE1-CE 4.28Å; F260-M287 HydrophobicContact CE2-CB 4.19Å; F260-M287 HydrophobicContact CE2-CE 3.91Å; F260-M287 HydrophobicContact CG-CE 4.26Å; F260-M287 HydrophobicContact CZ-CB 3.52Å; F260-M287 HydrophobicContact CZ-CE 4.04Å; F260-V288 HydrophobicContact CE1-CG2 3.64Å; F260-V288 HydrophobicContact CZ-CB 4.49Å; F260-V288 HydrophobicContact CZ-CG2 3.56Å
261	D	95.9	Very high	95.7	Very high	51 Å²	51	21.5 Å²	21.5	27%	0.273	13%	0.13	S	C	.	.	H	α-helix	trans	-57.9	-51.9	177.7	-167.2	56.1	0	0	0	110.7	I257 M258 D259 A265 R544	I257-D261 PolarHBondContact O-N 2.83Å; M258-D261 WeakPolarHBondContact O-CB 3.26Å; M258-D261 PolarHBondContact O-N 3.44Å; D259-D261 VanDerWaalsContact C-N 3.3Å; D259-D261 PolarHBondContact O-N 3.23Å; D261-A265 VanDerWaalsContact O-CB 3.27Å; D261-A265 WeakPolarHBondContact O-CB 3.42Å; D261-A265 PolarHBondContact O-N 2.84Å; D261-R544 IonicContact OD1-NH2 3.31Å; D261-R544 IonicContact OD2-CZ 3.92Å; D261-R544 IonicContact OD2-NE 3.94Å; D261-R544 PolarHBondContact OD2-NE 3.29Å; D261-R544 IonicContact OD2-NH2 2.75Å; D261-R544 PolarHBondContact OD2-NH2 3.32Å
262	V	96	Very high	95.6	Very high	3 Å²	3	25.5 Å²	25.5	2%	0.018	15%	0.146	C	C	.	.	H	α-helix	trans	-64.1	-47.5	178.5	174.6	0	0	0	0	111.6	M258 D259 N264 A265 M266 V505 R544 R547 L551	M258-V262 PolarHBondContact O-N 2.93Å; M258-V262 VanDerWaalsContact O-N 3.12Å; D259-V262 PolarHBondContact O-N 3.4Å; V262-N264 PolarHBondContact O-N 3.37Å; V262-A265 WeakPolarHBondContact O-CB 3.34Å; V262-A265 PolarHBondContact O-N 3.35Å; V262-M266 HydrophobicContact CG1-SD 4.46Å; V262-M266 WeakPolarHBondContact O-CG 3.22Å; V262-M266 PolarHBondContact O-N 3.5Å; V262-V505 HydrophobicContact CG1-CG2 4.11Å; V262-R544 HydrophobicContact CG2-CG 4.4Å; V262-R547 HydrophobicContact CG1-CB 4.35Å; V262-R547 HydrophobicContact CG2-CB 3.9Å; V262-R547 HydrophobicContact CG2-CG 4.44Å; V262-L551 HydrophobicContact CG1-CD1 3.95Å
263	L	96	Very high	95.4	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-64.2	-42.9	-179.1	-68.3	172.1	0	0	0	112.2	D259 A265 M266 V267 A280 V283 A284 M287 A306 F309	D259-L263 WeakPolarHBondContact O-CB 3.34Å; D259-L263 VanDerWaalsContact O-CG 3.25Å; D259-L263 WeakPolarHBondContact O-CG 3.48Å; D259-L263 PolarHBondContact O-N 2.99Å; L263-A265 VanDerWaalsContact C-N 3.28Å; L263-A265 PolarHBondContact O-N 3.26Å; L263-M266 HydrophobicContact CD2-SD 4.06Å; L263-M266 WeakPolarHBondContact O-CB 3.42Å; L263-M266 PolarHBondContact O-N 2.93Å; L263-V267 WeakPolarHBondContact O-CG2 3.44Å; L263-V267 PolarHBondContact O-N 2.55Å; L263-V267 VanDerWaalsContact O-N 3.08Å; L263-A280 HydrophobicContact CD2-CB 3.98Å; L263-V283 HydrophobicContact CD1-CG1 3.88Å; L263-V283 HydrophobicContact CD2-CG1 4.43Å; L263-A284 HydrophobicContact CB-CB 4.26Å; L263-A284 HydrophobicContact CD1-CB 4.31Å; L263-M287 HydrophobicContact CD1-CE 4.01Å; L263-M287 HydrophobicContact CD1-SD 3.27Å; L263-M287 WeakPolarHBondContact CD1-SD 3.38Å; L263-A306 HydrophobicContact CD1-CB 4.34Å; L263-F309 HydrophobicContact CD2-CD1 3.57Å; L263-F309 HydrophobicContact CD2-CE1 3.55Å
264	N	96.5	Very high	95.1	Very high	13 Å²	13	29.2 Å²	29.2	7%	0.07	17%	0.167	C	C	.	.	H	α-helix	trans	-64.9	-35.7	175.9	-70.9	-36.3	0	0	0	111.4	S81 Q82 F260 V262 V267 S268	S81-N264 VanDerWaalsContact CB-OD1 3.3Å; S81-N264 WeakPolarHBondContact CB-OD1 3.37Å; S81-N264 PolarHBondContact OG-OD1 3.29Å; Q82-N264 HydrophobicContact CG-CB 4.29Å; F260-N264 WeakPolarHBondContact O-CB 3.45Å; F260-N264 PolarHBondContact O-N 2.7Å; F260-N264 PolarHBondContact O-ND2 2.91Å; V262-N264 PolarHBondContact O-N 3.37Å; N264-V267 PolarHBondContact O-N 3.46Å; N264-S268 PolarHBondContact O-N 2.8Å; N264-S268 PolarHBondContact O-OG 3.27Å
265	A	96	Very high	94.8	Very high	24 Å²	24	32.7 Å²	32.7	20%	0.198	19%	0.19	C	C	.	.	H	α-helix	trans	-66.9	-39	174.1	0	0	0	0	0	111.7	D261 V262 L263 V267 S268 A269 V505	D261-A265 VanDerWaalsContact O-CB 3.27Å; D261-A265 WeakPolarHBondContact O-CB 3.42Å; D261-A265 PolarHBondContact O-N 2.84Å; V262-A265 WeakPolarHBondContact O-CB 3.34Å; V262-A265 PolarHBondContact O-N 3.35Å; L263-A265 VanDerWaalsContact C-N 3.28Å; L263-A265 PolarHBondContact O-N 3.26Å; A265-V267 PolarHBondContact O-N 2.9Å; A265-S268 PolarHBondContact O-N 3.16Å; A265-S268 VanDerWaalsContact O-N 3.17Å; A265-A269 VanDerWaalsContact O-CB 3.27Å; A265-A269 WeakPolarHBondContact O-CB 3.43Å; A265-A269 PolarHBondContact O-N 3.08Å; A265-V505 HydrophobicContact CB-CB 3.8Å; A265-V505 HydrophobicContact CB-CG2 3.87Å
266	M	95.2	Very high	94.6	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-58.1	-48.3	172.3	-69.1	175	73.1	0	0	111.8	V262 L263 S268 A269 L270 A280 F309 V505 L551 P552	V262-M266 HydrophobicContact CG1-SD 4.46Å; V262-M266 WeakPolarHBondContact O-CG 3.22Å; V262-M266 PolarHBondContact O-N 3.5Å; L263-M266 HydrophobicContact CD2-SD 4.06Å; L263-M266 WeakPolarHBondContact O-CB 3.42Å; L263-M266 PolarHBondContact O-N 2.93Å; M266-S268 PolarHBondContact O-N 3.42Å; M266-A269 PolarHBondContact O-N 3.32Å; M266-L270 HydrophobicContact CB-CD1 4Å; M266-L270 HydrophobicContact CB-CG 4.39Å; M266-L270 HydrophobicContact CE-CD1 3.88Å; M266-L270 HydrophobicContact CG-CD1 4.43Å; M266-L270 VanDerWaalsContact O-CB 3.27Å; M266-L270 WeakPolarHBondContact O-CB 3.15Å; M266-L270 WeakPolarHBondContact O-CG 3.36Å; M266-L270 PolarHBondContact O-N 3.05Å; M266-A280 HydrophobicContact CB-CB 3.92Å; M266-A280 HydrophobicContact CE-CB 4.1Å; M266-A280 HydrophobicContact SD-CB 4.08Å; M266-F309 HydrophobicContact CE-CE1 3.76Å; M266-F309 HydrophobicContact CE-CZ 3.89Å; M266-F309 HydrophobicContact SD-CE1 3.93Å; M266-V505 HydrophobicContact CG-CG1 4.25Å; M266-V505 HydrophobicContact CG-CG2 4.02Å; M266-L551 HydrophobicContact CE-CD1 4.19Å; M266-L551 HydrophobicContact CG-CD1 3.73Å; M266-L551 HydrophobicContact SD-CD1 3.63Å; M266-P552 HydrophobicContact CE-CB 4.25Å; M266-P552 HydrophobicContact CE-CG 4.33Å; M266-P552 VanDerWaalsContact CE-O 3.22Å; M266-P552 WeakPolarHBondContact CE-O 3.41Å
267	V	95.3	Very high	94.4	Very high	4 Å²	4	34.8 Å²	34.8	2%	0.024	20%	0.198	C	C	.	.	H	α-helix	trans	-58.5	-34.4	178.1	178	0	0	0	0	111.5	L263 N264 A265 R277 A280 M281	L263-V267 WeakPolarHBondContact O-CG2 3.44Å; L263-V267 PolarHBondContact O-N 2.55Å; L263-V267 VanDerWaalsContact O-N 3.08Å; N264-V267 PolarHBondContact O-N 3.46Å; A265-V267 PolarHBondContact O-N 2.9Å; V267-R277 PolarHBondContact O-NE 2.82Å; V267-R277 PolarHBondContact O-NH1 2.77Å; V267-R277 PolarHBondContact O-NH2 2.9Å; V267-A280 HydrophobicContact CG2-CB 4.18Å; V267-M281 HydrophobicContact CG1-CB 4.41Å; V267-M281 HydrophobicContact CG2-CB 3.66Å; V267-M281 HydrophobicContact CG2-CG 4.45Å
268	S	94.8	Very high	94.2	Very high	76 Å²	76	38.8 Å²	38.8	53%	0.531	21%	0.213	S	C	.	.	H	α-helix	trans	-82.7	-39.5	-176.6	-53.9	0	0	0	0	112.7	N264 A265 M266	N264-S268 PolarHBondContact O-N 2.8Å; N264-S268 PolarHBondContact O-OG 3.27Å; A265-S268 PolarHBondContact O-N 3.16Å; A265-S268 VanDerWaalsContact O-N 3.17Å; M266-S268 PolarHBondContact O-N 3.42Å
269	A	95.4	Very high	94	Very high	32 Å²	32	42.5 Å²	42.5	26%	0.264	23%	0.233	S	C	.	.	H	α-helix	trans	-99.9	-26.9	-168.3	0	0	0	0	0	114.8	A265 M266 V505 M509	A265-A269 VanDerWaalsContact O-CB 3.27Å; A265-A269 WeakPolarHBondContact O-CB 3.43Å; A265-A269 PolarHBondContact O-N 3.08Å; M266-A269 PolarHBondContact O-N 3.32Å; A269-V505 HydrophobicContact CB-CB 4.49Å; A269-V505 HydrophobicContact CB-CG1 4.06Å; A269-M509 HydrophobicContact CB-CG 4.31Å
270	L	93.6	Very high	93.9	Very high	2 Å²	2	42.4 Å²	42.4	1%	0.01	23%	0.233	C	C	.	.	S	Bend	trans	-71.5	151.1	178.6	-68.4	179.6	0	0	0	111.6	M266 E276 R277 M509	M266-L270 HydrophobicContact CB-CD1 4Å; M266-L270 HydrophobicContact CB-CG 4.39Å; M266-L270 HydrophobicContact CE-CD1 3.88Å; M266-L270 HydrophobicContact CG-CD1 4.43Å; M266-L270 VanDerWaalsContact O-CB 3.27Å; M266-L270 WeakPolarHBondContact O-CB 3.15Å; M266-L270 WeakPolarHBondContact O-CG 3.36Å; M266-L270 PolarHBondContact O-N 3.05Å; L270-E276 HydrophobicContact CD1-CB 4.05Å; L270-R277 HydrophobicContact CB-CB 4.01Å; L270-R277 HydrophobicContact CB-CG 4.49Å; L270-R277 PolarHBondContact O-NH1 3.15Å; L270-M509 HydrophobicContact CD2-CE 4.42Å; L270-M509 HydrophobicContact CD2-CG 4.38Å; L270-M509 HydrophobicContact CD2-SD 3.97Å
271	P	91.6	Very high	93.8	Very high	62 Å²	62	42.5 Å²	42.5	40%	0.403	23%	0.233	S	C	.	.			trans	-53	148	177	-26.8	35.7	0	0	0	113.1	D273 S274 R277	P271-D273 WeakPolarHBondContact CB-OD1 3.42Å; P271-D273 PolarHBondContact O-N 2.88Å; P271-S274 VanDerWaalsContact O-CB 3.29Å; P271-S274 WeakPolarHBondContact O-CB 3.28Å; P271-S274 PolarHBondContact O-N 3.07Å; P271-R277 WeakPolarHBondContact O-CD 3.44Å
272	K	92	Very high	93.8	Very high	155 Å²	155	44.9 Å²	44.9	67%	0.674	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-23.4	-177.5	-75.9	-168.6	176.1	-176.6	0	113.9	Y278	K272-Y278 VanDerWaalsContact O-CE2 3.25Å; K272-Y278 WeakPolarHBondContact O-CE2 3.13Å; K272-Y278 PolarHBondContact O-OH 3.3Å
273	D	90.7	Very high	93.8	Very high	139 Å²	139	45.7 Å²	45.7	74%	0.743	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.4	-3.2	177	57.8	-26.5	0	0	0	113.2	P271 P275	P271-D273 WeakPolarHBondContact CB-OD1 3.42Å; P271-D273 PolarHBondContact O-N 2.88Å; D273-P275 VanDerWaalsContact O-CD 3.31Å; D273-P275 WeakPolarHBondContact O-CD 3.45Å
274	S	89.9	Confident	93.8	Very high	13 Å²	13	45.7 Å²	45.7	9%	0.091	24%	0.244	C	C	.	.			trans	-69.4	122.7	175.7	165.8	0	0	0	0	110.9	P271 E276 R277	P271-S274 VanDerWaalsContact O-CB 3.29Å; P271-S274 WeakPolarHBondContact O-CB 3.28Å; P271-S274 PolarHBondContact O-N 3.07Å; S274-E276 PolarHBondContact O-N 3.05Å; S274-E276 PolarHBondContact OG-N 3.13Å; S274-E276 PolarHBondContact OG-OE2 3.34Å; S274-R277 WeakPolarHBondContact O-CB 3.44Å; S274-R277 PolarHBondContact O-N 3.27Å; S274-R277 PolarHBondContact OG-N 3.19Å
275	P	91.1	Very high	93.8	Very high	78 Å²	78	45.5 Å²	45.5	51%	0.506	24%	0.243	S	C	.	.	H	α-helix	trans	-57.3	-35.9	169.5	-25.3	35.5	0	0	0	112.6	D273 R277 Y278 N279	D273-P275 VanDerWaalsContact O-CD 3.31Å; D273-P275 WeakPolarHBondContact O-CD 3.45Å; P275-R277 VanDerWaalsContact C-N 3.32Å; P275-R277 PolarHBondContact O-N 2.93Å; P275-Y278 PolarHBondContact O-N 2.79Å; P275-Y278 VanDerWaalsContact O-N 3.14Å; P275-N279 PolarHBondContact O-N 3.23Å
276	E	91.8	Very high	93.8	Very high	47 Å²	47	49.1 Å²	49.1	22%	0.22	26%	0.256	C	S	.	.	H	α-helix	trans	-66.4	-33.5	-177.5	-61.3	68.5	-147.1	0	0	111.8	L270 S274 Y278 N279 A280 P552	L270-E276 HydrophobicContact CD1-CB 4.05Å; S274-E276 PolarHBondContact O-N 3.05Å; S274-E276 PolarHBondContact OG-N 3.13Å; S274-E276 PolarHBondContact OG-OE2 3.34Å; E276-Y278 VanDerWaalsContact C-N 3.33Å; E276-Y278 PolarHBondContact O-N 2.85Å; E276-N279 PolarHBondContact O-N 3.31Å; E276-A280 VanDerWaalsContact O-CB 3.29Å; E276-A280 WeakPolarHBondContact O-CB 3.26Å; E276-A280 PolarHBondContact O-N 2.73Å; E276-P552 HydrophobicContact CB-CB 4.45Å; E276-P552 HydrophobicContact CG-CB 4.05Å
277	R	93.1	Very high	93.9	Very high	27 Å²	27	49.1 Å²	49.1	10%	0.102	26%	0.256	C	S	.	.	H	α-helix	trans	-54.1	-50.8	169.9	-177.7	-166.2	176.9	102.8	4.6	110.8	E74 V267 L270 P271 S274 P275 M281	E74-R277 IonicContact OE1-CZ 2.69Å; E74-R277 IonicContact OE1-NE 3.45Å; E74-R277 PolarHBondContact OE1-NE 3.33Å; E74-R277 IonicContact OE1-NH2 2.76Å; E74-R277 PolarHBondContact OE1-NH2 3.16Å; V267-R277 PolarHBondContact O-NE 2.82Å; V267-R277 PolarHBondContact O-NH1 2.77Å; V267-R277 PolarHBondContact O-NH2 2.9Å; L270-R277 HydrophobicContact CB-CB 4.01Å; L270-R277 HydrophobicContact CB-CG 4.49Å; L270-R277 PolarHBondContact O-NH1 3.15Å; P271-R277 WeakPolarHBondContact O-CD 3.44Å; S274-R277 WeakPolarHBondContact O-CB 3.44Å; S274-R277 PolarHBondContact O-N 3.27Å; S274-R277 PolarHBondContact OG-N 3.19Å; P275-R277 VanDerWaalsContact C-N 3.32Å; P275-R277 PolarHBondContact O-N 2.93Å; R277-M281 PolarHBondContact O-N 2.87Å
278	Y	92.7	Very high	94	Very high	84 Å²	84	49 Å²	49	33%	0.329	26%	0.255	S	S	.	.	H	α-helix	trans	-72	-43.7	-179	-67.9	-71.3	0	0	0	110.9	K272 P275 E276 A280 M281 Y282	K272-Y278 VanDerWaalsContact O-CE2 3.25Å; K272-Y278 WeakPolarHBondContact O-CE2 3.13Å; K272-Y278 PolarHBondContact O-OH 3.3Å; P275-Y278 PolarHBondContact O-N 2.79Å; P275-Y278 VanDerWaalsContact O-N 3.14Å; E276-Y278 VanDerWaalsContact C-N 3.33Å; E276-Y278 PolarHBondContact O-N 2.85Å; Y278-A280 VanDerWaalsContact C-N 3.3Å; Y278-A280 PolarHBondContact O-N 3.22Å; Y278-M281 HydrophobicContact CD1-CE 4.05Å; Y278-M281 WeakPolarHBondContact O-CA 3.25Å; Y278-M281 VanDerWaalsContact O-CB 3.29Å; Y278-M281 WeakPolarHBondContact O-CB 3.43Å; Y278-M281 PolarHBondContact O-N 2.84Å; Y278-Y282 WeakPolarHBondContact O-CD2 3.49Å; Y278-Y282 PolarHBondContact O-N 3.01Å
279	N	92.9	Very high	94	Very high	81 Å²	81	48.8 Å²	48.8	43%	0.433	25%	0.248	S	C	.	.	H	α-helix	trans	-55.6	-45.6	176.6	-69.6	-20.5	0	0	0	111.5	P275 E276 M281 Y282 V283 F309	P275-N279 PolarHBondContact O-N 3.23Å; E276-N279 PolarHBondContact O-N 3.31Å; N279-M281 VanDerWaalsContact C-N 3.31Å; N279-M281 PolarHBondContact O-N 2.79Å; N279-Y282 PolarHBondContact O-N 2.89Å; N279-Y282 VanDerWaalsContact O-N 3.16Å; N279-V283 WeakPolarHBondContact O-CB 3.41Å; N279-V283 VanDerWaalsContact O-CG2 3.22Å; N279-V283 WeakPolarHBondContact O-CG2 3.36Å; N279-V283 PolarHBondContact O-N 2.81Å; N279-F309 HydrophobicContact CB-CE2 3.71Å; N279-F309 HydrophobicContact CB-CZ 4.27Å
280	A	94.5	Very high	94.1	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-58.2	-41.1	174.7	0	0	0	0	0	112.3	L263 M266 V267 E276 Y278 V283 A284 F309	L263-A280 HydrophobicContact CD2-CB 3.98Å; M266-A280 HydrophobicContact CB-CB 3.92Å; M266-A280 HydrophobicContact CE-CB 4.1Å; M266-A280 HydrophobicContact SD-CB 4.08Å; V267-A280 HydrophobicContact CG2-CB 4.18Å; E276-A280 VanDerWaalsContact O-CB 3.29Å; E276-A280 WeakPolarHBondContact O-CB 3.26Å; E276-A280 PolarHBondContact O-N 2.73Å; Y278-A280 VanDerWaalsContact C-N 3.3Å; Y278-A280 PolarHBondContact O-N 3.22Å; A280-V283 PolarHBondContact O-N 3.04Å; A280-A284 VanDerWaalsContact O-CB 3.32Å; A280-A284 WeakPolarHBondContact O-CB 3.39Å; A280-A284 PolarHBondContact O-N 2.76Å; A280-F309 HydrophobicContact CB-CE1 4.07Å; A280-F309 HydrophobicContact CB-CZ 4.05Å
281	M	95.4	Very high	94.2	Very high	2 Å²	2	48.5 Å²	48.5	1%	0.01	24%	0.243	C	C	.	.	H	α-helix	trans	-63.1	-43.9	175.3	-175.1	-173.3	69.9	0	0	112.4	K72 E74 T77 V267 R277 Y278 N279 N285	K72-M281 HydrophobicContact CB-CE 4.33Å; E74-M281 HydrophobicContact CB-SD 4.23Å; E74-M281 HydrophobicContact CG-SD 3.99Å; T77-M281 HydrophobicContact CG2-CE 4.39Å; T77-M281 HydrophobicContact CG2-CG 3.68Å; T77-M281 HydrophobicContact CG2-SD 4.09Å; V267-M281 HydrophobicContact CG1-CB 4.41Å; V267-M281 HydrophobicContact CG2-CB 3.66Å; V267-M281 HydrophobicContact CG2-CG 4.45Å; R277-M281 PolarHBondContact O-N 2.87Å; Y278-M281 HydrophobicContact CD1-CE 4.05Å; Y278-M281 WeakPolarHBondContact O-CA 3.25Å; Y278-M281 VanDerWaalsContact O-CB 3.29Å; Y278-M281 WeakPolarHBondContact O-CB 3.43Å; Y278-M281 PolarHBondContact O-N 2.84Å; N279-M281 VanDerWaalsContact C-N 3.31Å; N279-M281 PolarHBondContact O-N 2.79Å; M281-N285 WeakPolarHBondContact O-CB 3.21Å; M281-N285 PolarHBondContact O-N 2.77Å
282	Y	94.7	Very high	94.4	Very high	100 Å²	100	47 Å²	47	39%	0.392	23%	0.234	S	C	.	.	H	α-helix	trans	-66.6	-43.9	178.6	-81.9	-89.1	0	0	0	111.2	K72 Y278 N279 N285 E286	K72-Y282 HydrophobicContact CB-CE1 3.95Å; K72-Y282 HydrophobicContact CG-CD1 4.09Å; K72-Y282 HydrophobicContact CG-CE1 3.3Å; Y278-Y282 WeakPolarHBondContact O-CD2 3.49Å; Y278-Y282 PolarHBondContact O-N 3.01Å; N279-Y282 PolarHBondContact O-N 2.89Å; N279-Y282 VanDerWaalsContact O-N 3.16Å; Y282-N285 PolarHBondContact O-N 2.93Å; Y282-E286 PolarHBondContact O-N 2.83Å
283	V	95.9	Very high	94.4	Very high	20 Å²	20	45.8 Å²	45.8	12%	0.121	23%	0.229	C	C	.	.	H	α-helix	trans	-58.9	-51.5	175.5	168.9	0	0	0	0	110.5	L263 N279 A280 N285 E286 M287 I305 F309	L263-V283 HydrophobicContact CD1-CG1 3.88Å; L263-V283 HydrophobicContact CD2-CG1 4.43Å; N279-V283 WeakPolarHBondContact O-CB 3.41Å; N279-V283 VanDerWaalsContact O-CG2 3.22Å; N279-V283 WeakPolarHBondContact O-CG2 3.36Å; N279-V283 PolarHBondContact O-N 2.81Å; A280-V283 PolarHBondContact O-N 3.04Å; V283-N285 VanDerWaalsContact C-N 3.29Å; V283-N285 PolarHBondContact O-N 3.45Å; V283-E286 WeakPolarHBondContact O-CB 3.17Å; V283-E286 PolarHBondContact O-N 3.41Å; V283-M287 HydrophobicContact CG1-SD 3.96Å; V283-M287 VanDerWaalsContact O-CG 3.3Å; V283-M287 WeakPolarHBondContact O-CG 3.3Å; V283-M287 PolarHBondContact O-N 2.81Å; V283-I305 HydrophobicContact CG1-CG2 4.01Å; V283-F309 HydrophobicContact CG1-CB 4.07Å; V283-F309 HydrophobicContact CG1-CD1 4.48Å; V283-F309 HydrophobicContact CG1-CG 4.28Å; V283-F309 HydrophobicContact CG2-CB 4.08Å; V283-F309 HydrophobicContact CG2-CD2 3.88Å; V283-F309 HydrophobicContact CG2-CG 3.93Å
284	A	97.2	Very high	94.5	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-57.5	-43.1	176.4	0	0	0	0	0	111.6	F260 L263 A280 E286 M287 V288	F260-A284 HydrophobicContact CD1-CB 4.23Å; F260-A284 HydrophobicContact CE1-CB 4.09Å; F260-A284 VanDerWaalsContact CE1-O 3.31Å; F260-A284 WeakPolarHBondContact CE1-O 3.49Å; L263-A284 HydrophobicContact CB-CB 4.26Å; L263-A284 HydrophobicContact CD1-CB 4.31Å; A280-A284 VanDerWaalsContact O-CB 3.32Å; A280-A284 WeakPolarHBondContact O-CB 3.39Å; A280-A284 PolarHBondContact O-N 2.76Å; A284-E286 VanDerWaalsContact C-N 3.32Å; A284-E286 PolarHBondContact O-N 2.84Å; A284-M287 WeakPolarHBondContact O-CB 3.14Å; A284-M287 PolarHBondContact O-N 2.99Å; A284-V288 WeakPolarHBondContact O-CG2 3.22Å; A284-V288 PolarHBondContact O-N 2.98Å
285	N	96.1	Very high	94.6	Very high	10 Å²	10	48.6 Å²	48.6	5%	0.053	23%	0.233	C	C	.	.	H	α-helix	trans	-65.2	-35.1	177.3	178.7	80.6	0	0	0	113.1	K72 T77 R80 M281 Y282 V283 N289	K72-N285 PolarHBondContact NZ-ND2 3.27Å; T77-N285 HydrophobicContact CG2-CB 3.59Å; R80-N285 PolarHBondContact NH1-O 2.81Å; R80-N285 PolarHBondContact NH1-OD1 3.09Å; M281-N285 WeakPolarHBondContact O-CB 3.21Å; M281-N285 PolarHBondContact O-N 2.77Å; Y282-N285 PolarHBondContact O-N 2.93Å; V283-N285 VanDerWaalsContact C-N 3.29Å; V283-N285 PolarHBondContact O-N 3.45Å; N285-N289 PolarHBondContact O-N 2.78Å; N285-N289 PolarHBondContact O-ND2 3.44Å; N285-N289 PolarHBondContact O-OD1 3.27Å
286	E	96	Very high	94.5	Very high	99 Å²	99	51.5 Å²	51.5	46%	0.463	25%	0.252	S	S	.	.	H	α-helix	trans	-66.8	-45.2	173.9	-171.7	-179.7	178.5	0	0	111.4	Y282 V283 A284 V288 N289 V290 I305	Y282-E286 PolarHBondContact O-N 2.83Å; V283-E286 WeakPolarHBondContact O-CB 3.17Å; V283-E286 PolarHBondContact O-N 3.41Å; A284-E286 VanDerWaalsContact C-N 3.32Å; A284-E286 PolarHBondContact O-N 2.84Å; E286-V288 VanDerWaalsContact C-N 3.26Å; E286-V288 PolarHBondContact O-N 2.88Å; E286-N289 WeakPolarHBondContact O-CA 3.18Å; E286-N289 VanDerWaalsContact O-CB 3.29Å; E286-N289 WeakPolarHBondContact O-CB 3.34Å; E286-N289 PolarHBondContact O-N 3.21Å; E286-V290 PolarHBondContact O-N 3.18Å; E286-V290 VanDerWaalsContact O-N 3.07Å; E286-I305 HydrophobicContact CG-CD1 4.15Å
287	M	97.8	Very high	94.6	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-55.2	-43	174.6	-66.3	161.6	64.8	0	0	111.4	L256 D259 F260 L263 V283 A284 N289 V290 A291 A302 I305 A306	L256-M287 HydrophobicContact CD1-CE 3.46Å; L256-M287 VanDerWaalsContact CD1-CE 3.46Å; D259-M287 HydrophobicContact CB-CE 3.7Å; F260-M287 HydrophobicContact CD1-CE 4.38Å; F260-M287 HydrophobicContact CD2-CE 4.04Å; F260-M287 HydrophobicContact CE1-CB 4.07Å; F260-M287 HydrophobicContact CE1-CE 4.28Å; F260-M287 HydrophobicContact CE2-CB 4.19Å; F260-M287 HydrophobicContact CE2-CE 3.91Å; F260-M287 HydrophobicContact CG-CE 4.26Å; F260-M287 HydrophobicContact CZ-CB 3.52Å; F260-M287 HydrophobicContact CZ-CE 4.04Å; L263-M287 HydrophobicContact CD1-CE 4.01Å; L263-M287 HydrophobicContact CD1-SD 3.27Å; L263-M287 WeakPolarHBondContact CD1-SD 3.38Å; V283-M287 HydrophobicContact CG1-SD 3.96Å; V283-M287 VanDerWaalsContact O-CG 3.3Å; V283-M287 WeakPolarHBondContact O-CG 3.3Å; V283-M287 PolarHBondContact O-N 2.81Å; A284-M287 WeakPolarHBondContact O-CB 3.14Å; A284-M287 PolarHBondContact O-N 2.99Å; M287-N289 VanDerWaalsContact C-N 3.3Å; M287-N289 PolarHBondContact O-N 3.31Å; M287-V290 PolarHBondContact O-N 3.06Å; M287-A291 VanDerWaalsContact O-CB 3.28Å; M287-A291 WeakPolarHBondContact O-CB 3.41Å; M287-A291 PolarHBondContact O-N 2.76Å; M287-A302 HydrophobicContact CB-CB 4.28Å; M287-I305 HydrophobicContact CG-CB 4.18Å; M287-I305 HydrophobicContact CG-CG2 3.88Å; M287-A306 HydrophobicContact CE-CB 3.78Å; M287-A306 HydrophobicContact SD-CB 3.83Å
288	V	97.2	Very high	94.7	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.006	26%	0.255	C	S	.	.	H	α-helix	trans	-60.4	-41.4	174.9	-179.2	0	0	0	0	110.8	F84 F260 A284 E286 V290 S292	F84-V288 HydrophobicContact CB-CG2 4.07Å; F84-V288 HydrophobicContact CD1-CG1 4.41Å; F84-V288 HydrophobicContact CD1-CG2 3.95Å; F84-V288 HydrophobicContact CD2-CG1 4.13Å; F84-V288 HydrophobicContact CE2-CG1 4.38Å; F84-V288 HydrophobicContact CG-CG1 4.14Å; F84-V288 HydrophobicContact CG-CG2 4.04Å; F260-V288 HydrophobicContact CE1-CG2 3.64Å; F260-V288 HydrophobicContact CZ-CB 4.49Å; F260-V288 HydrophobicContact CZ-CG2 3.56Å; A284-V288 WeakPolarHBondContact O-CG2 3.22Å; A284-V288 PolarHBondContact O-N 2.98Å; E286-V288 VanDerWaalsContact C-N 3.26Å; E286-V288 PolarHBondContact O-N 2.88Å; V288-V290 VanDerWaalsContact C-N 3.26Å; V288-V290 PolarHBondContact O-N 3.32Å; V288-S292 WeakPolarHBondContact O-CB 3.45Å; V288-S292 PolarHBondContact O-N 2.9Å; V288-S292 PolarHBondContact O-OG 2.77Å
289	N	94.9	Very high	94.9	Very high	72 Å²	72	46.9 Å²	46.9	39%	0.385	24%	0.244	S	C	.	.	H	α-helix	trans	-63.5	-32.2	179.3	-65.8	-21.9	0	0	0	113.1	R80 N285 E286 M287	R80-N289 VanDerWaalsContact CZ-OD1 3.32Å; R80-N289 PolarHBondContact NH1-OD1 3.1Å; R80-N289 PolarHBondContact NH2-OD1 3.44Å; N285-N289 PolarHBondContact O-N 2.78Å; N285-N289 PolarHBondContact O-ND2 3.44Å; N285-N289 PolarHBondContact O-OD1 3.27Å; E286-N289 WeakPolarHBondContact O-CA 3.18Å; E286-N289 VanDerWaalsContact O-CB 3.29Å; E286-N289 WeakPolarHBondContact O-CB 3.34Å; E286-N289 PolarHBondContact O-N 3.21Å; M287-N289 VanDerWaalsContact C-N 3.3Å; M287-N289 PolarHBondContact O-N 3.31Å
290	V	96.8	Very high	95	Very high	29 Å²	29	47 Å²	47	18%	0.176	24%	0.242	C	C	.	.	H	α-helix	trans	-82.5	-54.8	179	177.9	0	0	0	0	110.4	E286 M287 V288 S292 K293 A302 I305	E286-V290 PolarHBondContact O-N 3.18Å; E286-V290 VanDerWaalsContact O-N 3.07Å; M287-V290 PolarHBondContact O-N 3.06Å; V288-V290 VanDerWaalsContact C-N 3.26Å; V288-V290 PolarHBondContact O-N 3.32Å; V290-S292 VanDerWaalsContact C-N 3.34Å; V290-S292 PolarHBondContact O-N 2.99Å; V290-K293 WeakPolarHBondContact O-CB 3.3Å; V290-K293 WeakPolarHBondContact O-CG 3.35Å; V290-K293 PolarHBondContact O-N 3.24Å; V290-A302 HydrophobicContact CB-CB 4.35Å; V290-A302 HydrophobicContact CG1-CB 4.32Å; V290-I305 HydrophobicContact CB-CD1 4.43Å; V290-I305 HydrophobicContact CG2-CD1 3.77Å
291	A	96.5	Very high	95.2	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-62.1	-38.4	-176.1	0	0	0	0	0	112.9	F84 L256 M287 K293 W294 I299 A302	F84-A291 HydrophobicContact CE1-CB 3.75Å; F84-A291 HydrophobicContact CZ-CB 3.96Å; L256-A291 HydrophobicContact CD2-CB 3.83Å; M287-A291 VanDerWaalsContact O-CB 3.28Å; M287-A291 WeakPolarHBondContact O-CB 3.41Å; M287-A291 PolarHBondContact O-N 2.76Å; A291-K293 PolarHBondContact O-N 3.23Å; A291-W294 PolarHBondContact O-N 2.77Å; A291-W294 VanDerWaalsContact O-N 3.08Å; A291-I299 HydrophobicContact CB-CD1 4.26Å; A291-A302 HydrophobicContact CB-CB 3.93Å
292	S	94.5	Very high	95.3	Very high	30 Å²	30	49.5 Å²	49.5	21%	0.21	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-4.5	-179.1	63.3	0	0	0	0	115.1	V288 V290 W294	V288-S292 WeakPolarHBondContact O-CB 3.45Å; V288-S292 PolarHBondContact O-N 2.9Å; V288-S292 PolarHBondContact O-OG 2.77Å; V290-S292 VanDerWaalsContact C-N 3.34Å; V290-S292 PolarHBondContact O-N 2.99Å; S292-W294 VanDerWaalsContact C-N 3.28Å; S292-W294 PolarHBondContact O-NE1 2.89Å
293	K	92.7	Very high	95.4	Very high	130 Å²	130	47.4 Å²	47.4	57%	0.565	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-23.8	170.8	-65	178.3	-177	174.6	0	112.6	V290 A291 Q295	V290-K293 WeakPolarHBondContact O-CB 3.3Å; V290-K293 WeakPolarHBondContact O-CG 3.35Å; V290-K293 PolarHBondContact O-N 3.24Å; A291-K293 PolarHBondContact O-N 3.23Å; K293-Q295 HydrophobicContact CB-CG 4.38Å; K293-Q295 PolarHBondContact O-N 2.97Å; K293-Q295 VanDerWaalsContact O-N 3.14Å
294	W	92.1	Very high	95.4	Very high	81 Å²	81	51.5 Å²	51.5	31%	0.307	27%	0.271	S	S	.	.			trans	52.6	31.7	-180	-50.2	116.2	0	0	0	114.3	F84 W93 L95 R98 A291 S292 I299	F84-W294 HydrophobicContact CE1-CH2 4.44Å; F84-W294 AromaticContact CE2-CH2 3.93Å; F84-W294 HydrophobicContact CE2-CH2 3.93Å; F84-W294 AromaticContact CE2-CZ2 3.64Å; F84-W294 HydrophobicContact CE2-CZ2 3.64Å; F84-W294 AromaticContact CZ-CH2 3.51Å; F84-W294 HydrophobicContact CZ-CH2 3.51Å; F84-W294 AromaticContact CZ-CZ2 3.61Å; F84-W294 HydrophobicContact CZ-CZ2 3.61Å; W93-W294 AromaticContact NE1-NE1 3.61Å; W93-W294 WeakPolarHBondContact O-CZ2 3.38Å; L95-W294 HydrophobicContact CD2-CH2 3.8Å; L95-W294 HydrophobicContact CD2-CZ3 3.83Å; L95-W294 HydrophobicContact CG-CH2 4.32Å; R98-W294 VanDerWaalsContact CD-CH2 3.46Å; A291-W294 PolarHBondContact O-N 2.77Å; A291-W294 VanDerWaalsContact O-N 3.08Å; S292-W294 VanDerWaalsContact C-N 3.28Å; S292-W294 PolarHBondContact O-NE1 2.89Å; W294-I299 HydrophobicContact CE3-CD1 4.41Å; W294-I299 HydrophobicContact CZ3-CD1 3.96Å
295	Q	91.9	Very high	95.4	Very high	130 Å²	130	53.1 Å²	53.1	61%	0.607	28%	0.279	S	S	*	.			trans	-94	154.5	174.1	-65.1	-178.9	-15.5	0	0	110.1	K293 G297 S298	K293-Q295 HydrophobicContact CB-CG 4.38Å; K293-Q295 PolarHBondContact O-N 2.97Å; K293-Q295 VanDerWaalsContact O-N 3.14Å; Q295-G297 PolarHBondContact O-N 2.95Å; Q295-S298 WeakPolarHBondContact CB-OG 3.39Å; Q295-S298 PolarHBondContact N-OG 3.46Å; Q295-S298 VanDerWaalsContact N-OG 3.15Å; Q295-S298 WeakPolarHBondContact O-CB 3.44Å; Q295-S298 PolarHBondContact O-N 2.83Å; Q295-S298 PolarHBondContact O-OG 2.89Å
296	P	89.9	Confident	95.3	Very high	139 Å²	139	52.7 Å²	52.7	90%	0.903	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.1	132.5	172.1	-25.1	34.3	0	0	0	111.2	S298	P296-S298 VanDerWaalsContact C-N 3.33Å; P296-S298 PolarHBondContact O-N 3.46Å
297	G	93.7	Very high	95.2	Very high	32 Å²	32	49.8 Å²	49.8	33%	0.33	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.6	-7.9	-176.7	0	0	0	0	0	115.5	Q295 E300 S301	Q295-G297 PolarHBondContact O-N 2.95Å; G297-E300 WeakPolarHBondContact CA-OE2 3.18Å; G297-E300 PolarHBondContact N-OE2 3.33Å; G297-S301 VanDerWaalsContact O-CB 3.27Å; G297-S301 WeakPolarHBondContact O-CB 3.39Å; G297-S301 PolarHBondContact O-N 3.02Å; G297-S301 PolarHBondContact O-OG 3.18Å
298	S	95.5	Very high	95	Very high	8 Å²	8	55.7 Å²	55.7	6%	0.056	29%	0.292	C	S	.	.	H	α-helix	trans	-69.7	-34.4	-177	-59.1	0	0	0	0	113	Q295 P296 A302	Q295-S298 WeakPolarHBondContact CB-OG 3.39Å; Q295-S298 PolarHBondContact N-OG 3.46Å; Q295-S298 VanDerWaalsContact N-OG 3.15Å; Q295-S298 WeakPolarHBondContact O-CB 3.44Å; Q295-S298 PolarHBondContact O-N 2.83Å; Q295-S298 PolarHBondContact O-OG 2.89Å; P296-S298 VanDerWaalsContact C-N 3.33Å; P296-S298 PolarHBondContact O-N 3.46Å; S298-A302 WeakPolarHBondContact O-CB 3.12Å; S298-A302 PolarHBondContact O-N 3.47Å; S298-A302 VanDerWaalsContact O-N 3.07Å
299	I	96.1	Very high	94.7	Very high	21 Å²	21	57.2 Å²	57.2	11%	0.108	30%	0.298	C	S	.	.	H	α-helix	trans	-71.3	-46.8	179.3	-60.9	-60.3	0	0	0	109.2	L95 N252 V253 L256 A291 W294 S301 A302 H303	L95-I299 HydrophobicContact CD2-CD1 3.78Å; N252-I299 HydrophobicContact CB-CG2 3.88Å; N252-I299 VanDerWaalsContact O-CG2 3.26Å; N252-I299 WeakPolarHBondContact O-CG2 3.39Å; V253-I299 HydrophobicContact CG2-CD1 4.38Å; V253-I299 HydrophobicContact CG2-CG1 4.31Å; V253-I299 HydrophobicContact CG2-CG2 4.35Å; L256-I299 HydrophobicContact CB-CG2 4.18Å; L256-I299 HydrophobicContact CD2-CD1 3.83Å; L256-I299 HydrophobicContact CD2-CG2 3.96Å; A291-I299 HydrophobicContact CB-CD1 4.26Å; W294-I299 HydrophobicContact CE3-CD1 4.41Å; W294-I299 HydrophobicContact CZ3-CD1 3.96Å; I299-S301 VanDerWaalsContact C-N 3.34Å; I299-S301 PolarHBondContact O-N 3.38Å; I299-A302 PolarHBondContact O-N 2.67Å; I299-A302 VanDerWaalsContact O-N 3.16Å; I299-H303 WeakPolarHBondContact O-CB 3.41Å; I299-H303 PolarHBondContact O-N 2.67Å
300	E	96.5	Very high	94.5	Very high	83 Å²	83	54.3 Å²	54.3	39%	0.388	28%	0.283	S	S	.	.	H	α-helix	trans	-60.2	-44.3	176.9	-61.5	77.9	-174.2	0	0	110.9	N252 G297 A302 H303 E304	N252-E300 PolarHBondContact ND2-OE1 3.14Å; G297-E300 WeakPolarHBondContact CA-OE2 3.18Å; G297-E300 PolarHBondContact N-OE2 3.33Å; E300-A302 VanDerWaalsContact C-N 3.33Å; E300-A302 PolarHBondContact O-N 3.47Å; E300-H303 WeakPolarHBondContact O-CB 3.44Å; E300-H303 PolarHBondContact O-N 2.82Å; E300-E304 PolarHBondContact O-N 2.87Å
301	S	97.3	Very high	93.8	Very high	54 Å²	54	57.8 Å²	57.8	38%	0.378	30%	0.297	S	S	.	.	H	α-helix	trans	-64	-37.5	176.2	-60.2	0	0	0	0	112.5	G297 I299 I305	G297-S301 VanDerWaalsContact O-CB 3.27Å; G297-S301 WeakPolarHBondContact O-CB 3.39Å; G297-S301 PolarHBondContact O-N 3.02Å; G297-S301 PolarHBondContact O-OG 3.18Å; I299-S301 VanDerWaalsContact C-N 3.34Å; I299-S301 PolarHBondContact O-N 3.38Å; S301-I305 WeakPolarHBondContact O-CG1 3.47Å; S301-I305 PolarHBondContact O-N 3.23Å
302	A	97.6	Very high	92.7	Very high	0 Å²	0	64.7 Å²	64.7	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-70.7	-38.1	176.5	0	0	0	0	0	111.6	L256 M287 V290 A291 S298 I299 E300 I305 A306	L256-A302 HydrophobicContact CD1-CB 3.74Å; L256-A302 HydrophobicContact CD2-CB 3.96Å; M287-A302 HydrophobicContact CB-CB 4.28Å; V290-A302 HydrophobicContact CB-CB 4.35Å; V290-A302 HydrophobicContact CG1-CB 4.32Å; A291-A302 HydrophobicContact CB-CB 3.93Å; S298-A302 WeakPolarHBondContact O-CB 3.12Å; S298-A302 PolarHBondContact O-N 3.47Å; S298-A302 VanDerWaalsContact O-N 3.07Å; I299-A302 PolarHBondContact O-N 2.67Å; I299-A302 VanDerWaalsContact O-N 3.16Å; E300-A302 VanDerWaalsContact C-N 3.33Å; E300-A302 PolarHBondContact O-N 3.47Å; A302-I305 WeakPolarHBondContact O-CB 3.27Å; A302-I305 PolarHBondContact O-N 3.31Å; A302-A306 PolarHBondContact O-N 2.84Å
303	H	96.6	Very high	91.3	Very high	57 Å²	57	63.5 Å²	63.5	26%	0.264	33%	0.326	S	S	.	.	H	α-helix	trans	-61.9	-44.8	173.4	179.7	62.8	0	0	0	111.2	D259 I299 E300 I305 A306 T307	D259-H303 IonicContact OD1-CE1 3.7Å; D259-H303 IonicContact OD1-ND1 3.03Å; D259-H303 IonicContact OD2-CE1 2.93Å; D259-H303 IonicContact OD2-CG 3.3Å; D259-H303 IonicContact OD2-ND1 3.32Å; D259-H303 PolarHBondContact OD2-ND1 2.81Å; I299-H303 WeakPolarHBondContact O-CB 3.41Å; I299-H303 PolarHBondContact O-N 2.67Å; E300-H303 WeakPolarHBondContact O-CB 3.44Å; E300-H303 PolarHBondContact O-N 2.82Å; H303-I305 VanDerWaalsContact C-N 3.26Å; H303-I305 PolarHBondContact O-N 3.36Å; H303-A306 WeakPolarHBondContact O-CB 3.46Å; H303-A306 PolarHBondContact O-N 3.31Å; H303-A306 VanDerWaalsContact O-N 3.07Å; H303-T307 PolarHBondContact O-N 2.85Å; H303-T307 PolarHBondContact O-OG1 3.29Å
304	E	96.4	Very high	89.7	Confident	106 Å²	106	66.4 Å²	66.4	50%	0.495	34%	0.342	S	S	.	.	H	α-helix	trans	-58	-35.3	175.4	-81.7	-174.2	-168.1	0	0	113.6	E300 T307 K308	E300-E304 PolarHBondContact O-N 2.87Å; E304-T307 PolarHBondContact O-N 3.21Å; E304-K308 WeakPolarHBondContact O-CB 3.23Å; E304-K308 WeakPolarHBondContact O-CG 3.48Å; E304-K308 PolarHBondContact O-N 3.27Å; E304-K308 IonicContact OE2-NZ 3.57Å
305	I	96.6	Very high	88.1	Confident	34 Å²	34	66.3 Å²	66.3	17%	0.174	37%	0.365	C	S	.	.	H	α-helix	trans	-63.5	-44.1	176.3	-70.9	165.6	0	0	0	110.3	V283 E286 M287 V290 S301 A302 H303 F309	V283-I305 HydrophobicContact CG1-CG2 4.01Å; E286-I305 HydrophobicContact CG-CD1 4.15Å; M287-I305 HydrophobicContact CG-CB 4.18Å; M287-I305 HydrophobicContact CG-CG2 3.88Å; V290-I305 HydrophobicContact CB-CD1 4.43Å; V290-I305 HydrophobicContact CG2-CD1 3.77Å; S301-I305 WeakPolarHBondContact O-CG1 3.47Å; S301-I305 PolarHBondContact O-N 3.23Å; A302-I305 WeakPolarHBondContact O-CB 3.27Å; A302-I305 PolarHBondContact O-N 3.31Å; H303-I305 VanDerWaalsContact C-N 3.26Å; H303-I305 PolarHBondContact O-N 3.36Å; I305-F309 PolarHBondContact O-N 3.47Å
306	A	95.4	Very high	86.8	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-65	-47.2	175.8	0	0	0	0	0	111.7	D259 L263 M287 A302 H303 K308 F309 L310	D259-A306 HydrophobicContact CB-CB 3.7Å; L263-A306 HydrophobicContact CD1-CB 4.34Å; M287-A306 HydrophobicContact CE-CB 3.78Å; M287-A306 HydrophobicContact SD-CB 3.83Å; A302-A306 PolarHBondContact O-N 2.84Å; H303-A306 WeakPolarHBondContact O-CB 3.46Å; H303-A306 PolarHBondContact O-N 3.31Å; H303-A306 VanDerWaalsContact O-N 3.07Å; A306-K308 PolarHBondContact O-N 2.73Å; A306-F309 WeakPolarHBondContact O-CB 3.34Å; A306-F309 PolarHBondContact O-N 2.57Å; A306-F309 VanDerWaalsContact O-N 3.09Å; A306-L310 WeakPolarHBondContact O-CG 3.36Å; A306-L310 PolarHBondContact O-N 2.79Å
307	T	93	Very high	86.1	Confident	39 Å²	39	58 Å²	58	24%	0.239	32%	0.321	C	S	.	.	H	α-helix	trans	-58.3	-46.6	-179.7	-60.8	0	0	0	0	111.4	H303 E304 F309 L310 E311	H303-T307 PolarHBondContact O-N 2.85Å; H303-T307 PolarHBondContact O-OG1 3.29Å; E304-T307 PolarHBondContact O-N 3.21Å; T307-F309 VanDerWaalsContact C-N 3.27Å; T307-F309 PolarHBondContact O-N 3.35Å; T307-L310 PolarHBondContact O-N 2.78Å; T307-E311 HydrophobicContact CG2-CG 4.03Å; T307-E311 WeakPolarHBondContact O-CB 3.23Å; T307-E311 VanDerWaalsContact O-CG 3.3Å; T307-E311 WeakPolarHBondContact O-CG 3.41Å; T307-E311 PolarHBondContact O-N 3Å
308	K	92.7	Very high	85.5	Confident	123 Å²	123	59.8 Å²	59.8	54%	0.535	32%	0.323	S	S	.	.	H	α-helix	trans	-59.8	-36.2	176.4	-75.8	171	-174.7	160.2	0	113	E304 A306 N312	E304-K308 WeakPolarHBondContact O-CB 3.23Å; E304-K308 WeakPolarHBondContact O-CG 3.48Å; E304-K308 PolarHBondContact O-N 3.27Å; E304-K308 IonicContact OE2-NZ 3.57Å; A306-K308 PolarHBondContact O-N 2.73Å; K308-N312 WeakPolarHBondContact O-CB 3.13Å; K308-N312 PolarHBondContact O-N 3.07Å; K308-N312 PolarHBondContact O-ND2 3.19Å
309	F	92.3	Very high	85	Confident	33 Å²	33	64.3 Å²	64.3	15%	0.145	35%	0.346	C	S	.	.	H	α-helix	trans	-69.1	-44	176.6	172	-105.4	0	0	0	111.9	L263 M266 N279 A280 V283 I305 A306 T307 P552	L263-F309 HydrophobicContact CD2-CD1 3.57Å; L263-F309 HydrophobicContact CD2-CE1 3.55Å; M266-F309 HydrophobicContact CE-CE1 3.76Å; M266-F309 HydrophobicContact CE-CZ 3.89Å; M266-F309 HydrophobicContact SD-CE1 3.93Å; N279-F309 HydrophobicContact CB-CE2 3.71Å; N279-F309 HydrophobicContact CB-CZ 4.27Å; A280-F309 HydrophobicContact CB-CE1 4.07Å; A280-F309 HydrophobicContact CB-CZ 4.05Å; V283-F309 HydrophobicContact CG1-CB 4.07Å; V283-F309 HydrophobicContact CG1-CD1 4.48Å; V283-F309 HydrophobicContact CG1-CG 4.28Å; V283-F309 HydrophobicContact CG2-CB 4.08Å; V283-F309 HydrophobicContact CG2-CD2 3.88Å; V283-F309 HydrophobicContact CG2-CG 3.93Å; I305-F309 PolarHBondContact O-N 3.47Å; A306-F309 WeakPolarHBondContact O-CB 3.34Å; A306-F309 PolarHBondContact O-N 2.57Å; A306-F309 VanDerWaalsContact O-N 3.09Å; T307-F309 VanDerWaalsContact C-N 3.27Å; T307-F309 PolarHBondContact O-N 3.35Å; F309-P552 HydrophobicContact CD1-CG 4.41Å; F309-P552 HydrophobicContact CE1-CG 3.94Å; F309-P552 HydrophobicContact CE2-CG 4.42Å; F309-P552 HydrophobicContact CZ-CB 4.23Å; F309-P552 HydrophobicContact CZ-CG 3.94Å
310	L	89.6	Confident	84.8	Confident	11 Å²	11	64.1 Å²	64.1	6%	0.058	35%	0.345	C	S	.	.	H	α-helix	trans	-71.4	-32.6	178.8	-65.1	173.7	0	0	0	112.5	A306 T307 A313 R547 R550	A306-L310 WeakPolarHBondContact O-CG 3.36Å; A306-L310 PolarHBondContact O-N 2.79Å; T307-L310 PolarHBondContact O-N 2.78Å; L310-A313 WeakPolarHBondContact O-CB 3.37Å; L310-R547 HydrophobicContact CD1-CB 4.06Å; L310-R547 HydrophobicContact CD1-CG 3.97Å; L310-R550 VanDerWaalsContact O-CB 3.31Å; L310-R550 WeakPolarHBondContact O-CB 3.43Å
311	E	82.7	Confident	84.7	Confident	102 Å²	102	64.2 Å²	64.2	48%	0.477	34%	0.342	S	S	.	.	H	α-helix	trans	-77.3	-28.3	-179.1	-72.7	-171.1	149.6	0	0	114	T307 A313 R550	T307-E311 HydrophobicContact CG2-CG 4.03Å; T307-E311 WeakPolarHBondContact O-CB 3.23Å; T307-E311 VanDerWaalsContact O-CG 3.3Å; T307-E311 WeakPolarHBondContact O-CG 3.41Å; T307-E311 PolarHBondContact O-N 3Å; E311-A313 PolarHBondContact O-N 2.9Å; E311-R550 IonicContact OE1-NH1 2.73Å; E311-R550 PolarHBondContact OE1-NH1 3.35Å
312	N	74	Confident	84.6	Confident	145 Å²	145	61.7 Å²	61.7	78%	0.775	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	14.2	177.7	-86.6	-22.6	0	0	0	114.2	K308 E314	K308-N312 WeakPolarHBondContact O-CB 3.13Å; K308-N312 PolarHBondContact O-N 3.07Å; K308-N312 PolarHBondContact O-ND2 3.19Å; N312-E314 PolarHBondContact O-N 3.28Å
313	A	63.7	Low	84.6	Confident	5 Å²	5	61.8 Å²	61.8	4%	0.041	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-2.5	-170.3	0	0	0	0	0	115.5	L310 E311 G315 A316 R550 P552	L310-A313 WeakPolarHBondContact O-CB 3.37Å; E311-A313 PolarHBondContact O-N 2.9Å; A313-G315 PolarHBondContact O-N 2.86Å; A313-A316 PolarHBondContact O-N 3.19Å; A313-R550 WeakPolarHBondContact CB-O 3.32Å; A313-P552 HydrophobicContact CB-CB 4.3Å; A313-P552 HydrophobicContact CB-CG 3.9Å
314	E	59.6	Low	84.6	Confident	192 Å²	192	59.1 Å²	59.1	90%	0.897	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	109.5	-178.8	-77.3	-167.8	162.5	0	0	111.2	N312	N312-E314 PolarHBondContact O-N 3.28Å
315	G	58.7	Low	84.7	Confident	78 Å²	78	54.2 Å²	54.2	80%	0.804	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	100.3	-3.6	179.5	0	0	0	0	0	116.2	A313	A313-G315 PolarHBondContact O-N 2.86Å
316	A	65	Low	84.7	Confident	38 Å²	38	52.6 Å²	52.6	31%	0.314	28%	0.281	S	S	.	.			trans	-94	7.6	-179.2	0	0	0	0	0	114.4	A313 G553	A313-A316 PolarHBondContact O-N 3.19Å; A316-G553 WeakPolarHBondContact O-CA 3Å; A316-G553 PolarHBondContact O-N 2.87Å
317	H	74.8	Confident	84.8	Confident	56 Å²	56	52.9 Å²	52.9	26%	0.259	28%	0.282	S	S	.	.	S	Bend	trans	-84.4	148.4	-175.5	-55.6	-58.3	0	0	0	112.5	L551 G554	H317-L551 PolarHBondContact CE1-O 2.91Å; H317-L551 PolarHBondContact ND1-O 2.82Å; H317-L551 VanDerWaalsContact ND1-O 3.09Å; H317-G554 CarbonylContact C-O 3.6Å; H317-G554 VanDerWaalsContact CA-O 3.25Å; H317-G554 WeakPolarHBondContact CA-O 3.29Å
318	L	81.5	Confident	84.9	Confident	71 Å²	71	51.3 Å²	51.3	37%	0.372	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	141.9	161.2	-59.8	172.2	0	0	0	109.1	F320 M509 V512 G554	L318-F320 PolarHBondContact O-N 2.93Å; L318-M509 HydrophobicContact CD1-CE 4.14Å; L318-M509 HydrophobicContact CD1-SD 4.35Å; L318-V512 HydrophobicContact CD1-CG1 4.31Å; L318-G554 PolarHBondContact N-O 3.43Å
319	D	85.7	Confident	85	Confident	102 Å²	102	45.6 Å²	45.6	55%	0.545	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	61.7	173.9	-171.6	1.9	0	0	0	111	R522	D319-R522 IonicContact OD1-NH1 3.27Å; D319-R522 PolarHBondContact OD1-NH1 3.01Å; D319-R522 IonicContact OD2-CZ 3.65Å; D319-R522 IonicContact OD2-NH1 3.65Å; D319-R522 PolarHBondContact OD2-NH1 3.1Å
320	F	91.7	Very high	85.2	Confident	17 Å²	17	44.1 Å²	44.1	8%	0.075	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	128.8	179.5	-166.3	-90.4	0	0	0	109.3	L318 I322 V512 F515 R522 A524 P555 L556	L318-F320 PolarHBondContact O-N 2.93Å; F320-I322 HydrophobicContact CD1-CG1 3.97Å; F320-I322 HydrophobicContact CE1-CG1 3.94Å; F320-V512 HydrophobicContact CD1-CG2 3.72Å; F320-V512 HydrophobicContact CE1-CG2 4.24Å; F320-V512 HydrophobicContact CG-CG2 4.26Å; F320-F515 HydrophobicContact CE2-CB 4.05Å; F320-F515 AromaticContact CE2-CD1 3.6Å; F320-F515 HydrophobicContact CE2-CD1 3.6Å; F320-F515 HydrophobicContact CE2-CD2 4.21Å; F320-F515 HydrophobicContact CE2-CE1 4.06Å; F320-F515 AromaticContact CE2-CG 3.68Å; F320-F515 HydrophobicContact CE2-CG 3.68Å; F320-F515 HydrophobicContact CZ-CB 3.87Å; F320-F515 HydrophobicContact CZ-CD1 4.01Å; F320-F515 AromaticContact CZ-CD2 3.76Å; F320-F515 HydrophobicContact CZ-CD2 3.76Å; F320-F515 HydrophobicContact CZ-CE1 4.5Å; F320-F515 HydrophobicContact CZ-CE2 4.3Å; F320-F515 AromaticContact CZ-CG 3.6Å; F320-F515 HydrophobicContact CZ-CG 3.6Å; F320-R522 HydrophobicContact CD2-CB 4.44Å; F320-A524 HydrophobicContact CE1-CB 3.9Å; F320-A524 HydrophobicContact CZ-CB 3.83Å; F320-P555 HydrophobicContact CD1-CB 4.44Å; F320-P555 WeakPolarHBondContact O-CB 3.31Å; F320-L556 PolarHBondContact O-N 2.98Å
321	R	93.6	Very high	85.6	Confident	86 Å²	86	43.7 Å²	43.7	33%	0.325	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	127.9	-177.3	-53.8	-170	-173.1	96.4	8.9	110.8	Y323 R522 S523 A524 L556	R321-Y323 HydrophobicContact CB-CE2 4.14Å; R321-R522 PolarHBondContact N-O 2.72Å; R321-S523 WeakPolarHBondContact O-CA 3.45Å; R321-A524 PolarHBondContact O-N 2.96Å; R321-L556 CarbonylContact C-O 3.54Å; R321-L556 VanDerWaalsContact CA-O 3.3Å; R321-L556 WeakPolarHBondContact CA-O 3.49Å; R321-L556 HydrophobicContact CG-CB 4.3Å; R321-L556 HydrophobicContact CG-CD2 3.94Å
322	I	96	Very high	86.4	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	126.8	171.1	-64.9	-177.1	0	0	0	108.4	F320 L508 T511 V512 A524 L526 P555 L556 V557 K558	F320-I322 HydrophobicContact CD1-CG1 3.97Å; F320-I322 HydrophobicContact CE1-CG1 3.94Å; I322-L508 HydrophobicContact CD1-CB 4.26Å; I322-L508 HydrophobicContact CD1-CD2 3.91Å; I322-L508 WeakPolarHBondContact CD1-O 3.41Å; I322-L508 HydrophobicContact CG2-CD2 4.19Å; I322-T511 HydrophobicContact CD1-CG2 3.77Å; I322-T511 HydrophobicContact CG1-CG2 4.09Å; I322-V512 HydrophobicContact CD1-CG2 4.16Å; I322-A524 WeakPolarHBondContact CA-O 3.42Å; I322-L526 HydrophobicContact CG2-CB 3.44Å; I322-L526 VanDerWaalsContact CG2-CB 3.44Å; I322-L526 HydrophobicContact CG2-CD1 4.06Å; I322-L526 HydrophobicContact CG2-CG 4.39Å; I322-P555 HydrophobicContact CD1-CB 4.02Å; I322-P555 HydrophobicContact CD1-CG 3.51Å; I322-P555 HydrophobicContact CG1-CB 4.13Å; I322-P555 HydrophobicContact CG1-CG 4.13Å; I322-L556 PolarHBondContact N-O 3.5Å; I322-V557 CarbonylContact O-C 3.42Å; I322-V557 WeakPolarHBondContact O-CA 3.1Å; I322-K558 PolarHBondContact O-N 3.48Å
323	Y	96.6	Very high	87.5	Confident	3 Å²	3	31.9 Å²	31.9	1%	0.012	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	102.6	170.7	-67.6	-82.3	0	0	0	109	R321 A524 L526 K558 L564 V565 H568	R321-Y323 HydrophobicContact CB-CE2 4.14Å; Y323-A524 PolarHBondContact N-O 2.99Å; Y323-L526 PolarHBondContact O-N 2.82Å; Y323-K558 CarbonylContact C-O 3.52Å; Y323-K558 WeakPolarHBondContact CA-O 3.38Å; Y323-K558 HydrophobicContact CD1-CB 3.76Å; Y323-K558 HydrophobicContact CE1-CB 3.67Å; Y323-K558 HydrophobicContact CE1-CD 3.91Å; Y323-K558 HydrophobicContact CE1-CG 4.33Å; Y323-L564 HydrophobicContact CD1-CD2 3.61Å; Y323-L564 HydrophobicContact CE1-CD2 3Å; Y323-V565 HydrophobicContact CD1-CG2 4.17Å; Y323-V565 HydrophobicContact CD2-CB 4.33Å; Y323-V565 HydrophobicContact CD2-CG1 4.05Å; Y323-V565 HydrophobicContact CD2-CG2 3.84Å; Y323-V565 HydrophobicContact CG-CB 4.47Å; Y323-V565 HydrophobicContact CG-CG2 3.51Å; Y323-H568 AromaticContact CZ-ND1 3.6Å; Y323-H568 PolarHBondContact OH-CE1 3.31Å; Y323-H568 PolarHBondContact OH-ND1 2.54Å
324	A	97.5	Very high	89.1	Confident	1 Å²	1	33 Å²	33	1%	0.008	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	121.3	176.4	0	0	0	0	0	109.6	L526 Y528 L545 V557 K558	A324-L526 WeakPolarHBondContact CA-O 3.2Å; A324-L526 HydrophobicContact CB-CD2 4.36Å; A324-Y528 HydrophobicContact CB-CD1 4.2Å; A324-Y528 HydrophobicContact CB-CE1 3.98Å; A324-L545 HydrophobicContact CB-CD1 3.68Å; A324-V557 HydrophobicContact CB-CG1 4.2Å; A324-K558 PolarHBondContact N-O 2.64Å
325	L	97.6	Very high	90.9	Very high	2 Å²	2	24 Å²	24	1%	0.01	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	121.1	179.6	178.1	66.6	0	0	0	109.1	H363 A365 W438 L525 L526 L527 Y528 P562	L325-H363 HydrophobicContact CD1-CB 3.91Å; L325-A365 HydrophobicContact CD1-CB 4.22Å; L325-A365 HydrophobicContact CD2-CB 3.78Å; L325-A365 HydrophobicContact CG-CB 4.05Å; L325-W438 HydrophobicContact CD2-CH2 3.63Å; L325-W438 HydrophobicContact CD2-CZ2 4.2Å; L325-L525 HydrophobicContact CB-CD1 3.96Å; L325-L525 HydrophobicContact CD2-CD1 4.05Å; L325-L526 PolarHBondContact N-O 2.74Å; L325-L527 HydrophobicContact CB-CD2 4.19Å; L325-L527 HydrophobicContact CD2-CD2 4.07Å; L325-L527 HydrophobicContact CG-CD2 4.34Å; L325-L527 WeakPolarHBondContact O-CA 3.01Å; L325-Y528 VanDerWaalsContact C-CD1 3.44Å; L325-Y528 WeakPolarHBondContact O-CD1 3.4Å; L325-Y528 PolarHBondContact O-N 2.98Å; L325-Y528 VanDerWaalsContact O-N 3.13Å; L325-P562 HydrophobicContact CD2-CG 3.85Å
326	G	97.5	Very high	92.7	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	141.2	174.4	0	0	0	0	0	109.2	H363 F364 A365 Y528	G326-H363 WeakPolarHBondContact CA-O 3.43Å; G326-H363 PolarHBondContact N-O 3.27Å; G326-F364 CarbonylContact O-C 3.54Å; G326-F364 VanDerWaalsContact O-CA 3.25Å; G326-F364 WeakPolarHBondContact O-CA 3.4Å; G326-A365 PolarHBondContact O-N 3.28Å; G326-Y528 CarbonylContact C-O 3.6Å; G326-Y528 WeakPolarHBondContact CA-O 3.34Å
327	N	96.3	Very high	94.2	Very high	6 Å²	6	18.6 Å²	18.6	3%	0.032	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	164.1	174	83.1	94.2	0	0	0	110.2	H329 Y499 L527 Y528 P537	N327-H329 PolarHBondContact OD1-N 3.31Å; N327-Y499 PolarHBondContact ND2-O 3.46Å; N327-Y499 PolarHBondContact OD1-O 3.16Å; N327-L527 HydrophobicContact CB-CD2 4.48Å; N327-Y528 PolarHBondContact N-O 2.71Å; N327-Y528 PolarHBondContact ND2-N 2.65Å; N327-Y528 PolarHBondContact ND2-O 2.76Å; N327-P537 WeakPolarHBondContact O-CD 3.18Å
328	C	95.4	Very high	95.3	Very high	6 Å²	6	16.3 Å²	16.3	4%	0.041	8%	0.078	C	C	.	.			trans	-140.3	88.7	171.6	-171.5	0	0	0	0	107.6	I330 F364 G534 G536	C328-I330 PolarHBondContact O-N 2.84Å; C328-I330 VanDerWaalsContact SG-CG1 3.54Å; C328-F364 HydrophobicContact CB-CE2 3.69Å; C328-F364 HydrophobicContact CB-CZ 3.45Å; C328-F364 VanDerWaalsContact CB-CZ 3.45Å; C328-G534 VanDerWaalsContact SG-CA 3.51Å; C328-G536 PolarHBondContact SG-N 3.29Å
329	H	95.9	Very high	96	Very high	4 Å²	4	15 Å²	15	2%	0.019	8%	0.076	C	C	.	.			trans	-63.5	121.3	167.4	-176.4	67.6	0	0	0	108.8	N327 D331 E404 D441 Y499 G531 D532 H645	N327-H329 PolarHBondContact OD1-N 3.31Å; H329-D331 IonicContact CD2-OD1 2.85Å; H329-D331 IonicContact CE1-OD1 2.67Å; H329-D331 IonicContact NE2-OD1 2.81Å; H329-D331 PolarHBondContact NE2-OD1 2.85Å; H329-E404 IonicContact CE1-OE2 3.86Å; H329-E404 PolarHBondContact CE1-OE2 3.37Å; H329-E404 IonicContact ND1-OE2 2.82Å; H329-E404 PolarHBondContact ND1-OE2 2.95Å; H329-D441 WeakPolarHBondContact NE2-CB 3.41Å; H329-Y499 HydrophobicContact CB-CD2 3.81Å; H329-Y499 HydrophobicContact CB-CE2 3.76Å; H329-Y499 AromaticContact CD2-CE2 3.48Å; H329-Y499 VanDerWaalsContact CD2-CE2 3.48Å; H329-Y499 WeakPolarHBondContact CD2-CE2 3.47Å; H329-Y499 AromaticContact CD2-CZ 3.79Å; H329-Y499 AromaticContact CG-CE2 3.81Å; H329-G531 CarbonylContact O-C 3.5Å; H329-G531 WeakPolarHBondContact O-CA 3.27Å; H329-D532 IonicContact CD2-OD1 3.72Å; H329-D532 PolarHBondContact O-N 3.19Å; H329-H645 AromaticContact CE1-CE1 3.43Å; H329-H645 PolarHBondContact CE1-CE1 3.41Å; H329-H645 VanDerWaalsContact CE1-CE1 3.43Å; H329-H645 AromaticContact CE1-NE2 3.7Å; H329-H645 AromaticContact NE2-CE1 3.92Å; H329-H645 AromaticContact NE2-NE2 3.73Å
330	I	96.7	Very high	96.6	Very high	1 Å²	1	10.1 Å²	10.1	1%	0.005	5%	0.05	C	C	.	.	B	Isolated β-bridge	trans	-126	120.3	176.8	-56.3	-175	0	0	0	107.4	C328 T332 T341 K344 Q371	C328-I330 PolarHBondContact O-N 2.84Å; C328-I330 VanDerWaalsContact SG-CG1 3.54Å; I330-T332 PolarHBondContact O-N 3.43Å; I330-T341 HydrophobicContact CG2-CG2 3.81Å; I330-K344 HydrophobicContact CG2-CB 4.37Å; I330-Q371 PolarHBondContact O-NE2 2.94Å
331	D	98	Very high	96.9	Very high	2 Å²	2	9.3 Å²	9.3	1%	0.011	5%	0.047	C	C	.	.			trans	-69.5	124.8	176.4	-58.1	-32.6	0	0	0	110.8	H329 A333 W334 W336 T341 D532 F644 H645	H329-D331 IonicContact CD2-OD1 2.85Å; H329-D331 IonicContact CE1-OD1 2.67Å; H329-D331 IonicContact NE2-OD1 2.81Å; H329-D331 PolarHBondContact NE2-OD1 2.85Å; D331-A333 PolarHBondContact O-N 3.37Å; D331-W334 HydrophobicContact CB-CB 3.63Å; D331-W336 HydrophobicContact CB-CH2 4.49Å; D331-W336 HydrophobicContact CB-CZ2 3.93Å; D331-W336 PolarHBondContact O-NE1 2.6Å; D331-T341 WeakPolarHBondContact O-CG2 3.45Å; D331-T341 PolarHBondContact O-OG1 3.28Å; D331-D532 VanDerWaalsContact CG-O 3.31Å; D331-D532 PolarHBondContact N-O 3.21Å; D331-F644 VanDerWaalsContact CA-CZ 3.46Å; D331-F644 HydrophobicContact CB-CE1 3.7Å; D331-F644 HydrophobicContact CB-CZ 3.97Å; D331-H645 IonicContact OD1-CE1 3.93Å; D331-H645 IonicContact OD1-NE2 3.88Å
332	T	97.7	Very high	97.1	Very high	0 Å²	0	6 Å²	6	0%	0	4%	0.037	C	C	.	.	S	Bend	trans	-61.8	-36.8	-172.7	-62.7	0	0	0	0	110.2	I330 F338 T341 L370 W374 F644	I330-T332 PolarHBondContact O-N 3.43Å; T332-F338 HydrophobicContact CG2-CD1 3.9Å; T332-F338 HydrophobicContact CG2-CE1 3.89Å; T332-F338 WeakPolarHBondContact O-CD1 3.42Å; T332-T341 VanDerWaalsContact O-CB 3.25Å; T332-T341 WeakPolarHBondContact O-CB 3.39Å; T332-T341 WeakPolarHBondContact O-CG2 3.01Å; T332-T341 PolarHBondContact O-OG1 2.82Å; T332-L370 HydrophobicContact CG2-CD2 3.72Å; T332-W374 HydrophobicContact CG2-CH2 3.67Å; T332-W374 HydrophobicContact CG2-CZ3 4.18Å; T332-F644 VanDerWaalsContact OG1-CD2 3.28Å; T332-F644 WeakPolarHBondContact OG1-CD2 3.5Å; T332-F644 VanDerWaalsContact OG1-CE2 3.28Å; T332-F644 WeakPolarHBondContact OG1-CE2 3.45Å
333	A	98	Very high	97.1	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	4%	0.038	C	C	.	.	S	Bend	trans	-153.2	143.2	156.1	0	0	0	0	0	107.6	D331 F338 V647 C652 V656	D331-A333 PolarHBondContact O-N 3.37Å; A333-F338 HydrophobicContact CB-CD1 3.61Å; A333-F338 HydrophobicContact CB-CD2 4.27Å; A333-F338 HydrophobicContact CB-CE1 3.52Å; A333-F338 HydrophobicContact CB-CE2 4.2Å; A333-F338 HydrophobicContact CB-CG 4.01Å; A333-F338 HydrophobicContact CB-CZ 3.83Å; A333-V647 HydrophobicContact CB-CG2 3.94Å; A333-C652 PolarHBondContact O-SG 2.94Å; A333-V656 HydrophobicContact CB-CB 4.49Å; A333-V656 HydrophobicContact CB-CG1 3.72Å; A333-V656 HydrophobicContact CB-CG2 3.88Å
334	W	97.9	Very high	97.1	Very high	28 Å²	28	6.4 Å²	6.4	11%	0.106	4%	0.038	C	C	.	.	S	Bend	trans	-153.5	-93.5	177.1	177.6	33.9	0	0	0	110.2	F222 I230 D331 W336 D532 D646 T651 C652 I653 W783	F222-W334 AromaticContact CD1-CZ3 3.98Å; F222-W334 HydrophobicContact CD1-CZ3 3.98Å; F222-W334 HydrophobicContact CE1-CZ3 4.26Å; I230-W334 HydrophobicContact CG2-CZ2 4.39Å; D331-W334 HydrophobicContact CB-CB 3.63Å; W334-W336 AromaticContact CE3-CH2 3.87Å; W334-W336 HydrophobicContact CE3-CH2 3.87Å; W334-W336 HydrophobicContact CE3-CZ3 4.18Å; W334-W336 PolarHBondContact N-O 2.87Å; W334-W336 PolarHBondContact O-N 3.48Å; W334-D532 HydrophobicContact CZ3-CB 4Å; W334-D646 HydrophobicContact CB-CB 4.35Å; W334-D646 HydrophobicContact CG-CB 4.39Å; W334-T651 PolarHBondContact NE1-O 2.89Å; W334-C652 WeakPolarHBondContact O-CA 3.48Å; W334-C652 WeakPolarHBondContact O-CB 3.44Å; W334-I653 PolarHBondContact O-N 2.78Å; W334-I653 VanDerWaalsContact O-N 3.09Å; W334-W783 AromaticContact CE2-CZ2 3.88Å; W334-W783 HydrophobicContact CZ2-CH2 4.29Å; W334-W783 HydrophobicContact CZ2-CZ2 4.03Å; W334-W783 AromaticContact NE1-CH2 3.41Å; W334-W783 AromaticContact NE1-CZ2 3.19Å
335	L	97.4	Very high	97.1	Very high	2 Å²	2	6.3 Å²	6.3	1%	0.01	4%	0.037	C	C	.	.	S	Bend	trans	-90.4	12.1	175.5	-56.7	170.8	0	0	0	112.5	W144 F222 V229 I653 P937	W144-L335 VanDerWaalsContact CH2-O 3.24Å; W144-L335 WeakPolarHBondContact CH2-O 3.33Å; F222-L335 HydrophobicContact CB-CD1 4.38Å; F222-L335 VanDerWaalsContact O-CB 3.26Å; F222-L335 WeakPolarHBondContact O-CB 3.13Å; F222-L335 WeakPolarHBondContact O-CD1 3.44Å; V229-L335 WeakPolarHBondContact O-CD1 3.37Å; L335-I653 HydrophobicContact CD2-CG2 4.1Å; L335-P937 HydrophobicContact CD2-CB 3.89Å; L335-P937 HydrophobicContact CD2-CG 4.27Å
336	W	96.8	Very high	97.1	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	4%	0.037	C	C	.	.	S	Bend	trans	-148.7	154.9	176.4	53	82.6	0	0	0	109.8	W144 R221 D331 W334 E340 T341 K344 D532 V656	W144-W336 HydrophobicContact CH2-CB 3.71Å; W144-W336 HydrophobicContact CZ3-CB 3.81Å; R221-W336 WeakPolarHBondContact O-CZ3 3.39Å; D331-W336 HydrophobicContact CB-CH2 4.49Å; D331-W336 HydrophobicContact CB-CZ2 3.93Å; D331-W336 PolarHBondContact O-NE1 2.6Å; W334-W336 AromaticContact CE3-CH2 3.87Å; W334-W336 HydrophobicContact CE3-CH2 3.87Å; W334-W336 HydrophobicContact CE3-CZ3 4.18Å; W334-W336 PolarHBondContact N-O 2.87Å; W334-W336 PolarHBondContact O-N 3.48Å; W336-E340 HydrophobicContact CB-CB 4.02Å; W336-E340 HydrophobicContact CB-CG 4.04Å; W336-E340 HydrophobicContact CG-CB 4.36Å; W336-E340 HydrophobicContact CG-CG 4.27Å; W336-T341 PolarHBondContact NE1-OG1 2.74Å; W336-K344 HydrophobicContact CD2-CD 3.93Å; W336-K344 VanDerWaalsContact CD2-CE 3.42Å; W336-K344 HydrophobicContact CG-CD 4.11Å; W336-K344 HydrophobicContact CZ2-CD 4.12Å; W336-D532 WeakPolarHBondContact CH2-O 3.38Å; W336-D532 WeakPolarHBondContact CZ2-O 3.45Å; W336-V656 WeakPolarHBondContact O-CG2 3.37Å
337	P	96.6	Very high	97.1	Very high	3 Å²	3	6.8 Å²	6.8	2%	0.019	4%	0.039	C	C	.	.			trans	-72.5	160.7	177.8	31.1	-36.6	0	0	0	112.3	A339 E340 T341 L655	P337-A339 PolarHBondContact O-N 2.79Å; P337-A339 VanDerWaalsContact O-N 3.12Å; P337-E340 HydrophobicContact CG-CB 4.27Å; P337-E340 WeakPolarHBondContact O-CB 3.41Å; P337-E340 PolarHBondContact O-N 2.92Å; P337-T341 PolarHBondContact O-N 2.58Å; P337-L655 HydrophobicContact CB-CD2 4.01Å; P337-L655 HydrophobicContact CG-CD2 3.84Å
338	F	97.7	Very high	97.1	Very high	9 Å²	9	6.7 Å²	6.7	4%	0.039	4%	0.039	C	C	.	.	H	α-helix	trans	-51.2	-39.4	177.9	-65	-74.1	0	0	0	113.1	T332 A333 E340 T341 V342 W374 Q641 V647 V656 D659 V660 M663	T332-F338 HydrophobicContact CG2-CD1 3.9Å; T332-F338 HydrophobicContact CG2-CE1 3.89Å; T332-F338 WeakPolarHBondContact O-CD1 3.42Å; A333-F338 HydrophobicContact CB-CD1 3.61Å; A333-F338 HydrophobicContact CB-CD2 4.27Å; A333-F338 HydrophobicContact CB-CE1 3.52Å; A333-F338 HydrophobicContact CB-CE2 4.2Å; A333-F338 HydrophobicContact CB-CG 4.01Å; A333-F338 HydrophobicContact CB-CZ 3.83Å; F338-E340 PolarHBondContact O-N 3.45Å; F338-T341 VanDerWaalsContact O-CB 3.28Å; F338-T341 WeakPolarHBondContact O-CB 3.38Å; F338-T341 PolarHBondContact O-N 3.37Å; F338-V342 PolarHBondContact O-N 2.86Å; F338-W374 HydrophobicContact CD1-CH2 4.26Å; F338-Q641 HydrophobicContact CD1-CG 4.25Å; F338-Q641 HydrophobicContact CE1-CG 3.74Å; F338-Q641 HydrophobicContact CZ-CG 4.15Å; F338-V647 HydrophobicContact CE1-CG2 4.28Å; F338-V647 HydrophobicContact CZ-CG1 4.33Å; F338-V647 HydrophobicContact CZ-CG2 4.05Å; F338-V656 HydrophobicContact CE2-CG1 4.21Å; F338-V656 HydrophobicContact CZ-CG1 4.44Å; F338-D659 HydrophobicContact CD2-CB 3.94Å; F338-D659 HydrophobicContact CE2-CB 4.12Å; F338-V660 HydrophobicContact CE2-CG2 4.1Å; F338-V660 HydrophobicContact CZ-CG2 4.31Å; F338-M663 HydrophobicContact CD2-CE 3.85Å; F338-M663 HydrophobicContact CE2-CE 4.03Å; F338-M663 HydrophobicContact CE2-SD 4.47Å
339	A	96.3	Very high	97.2	Very high	42 Å²	42	6.6 Å²	6.6	35%	0.347	4%	0.037	S	C	.	.	H	α-helix	trans	-63.9	-26	179.3	0	0	0	0	0	113.6	R117 P337	R117-A339 VanDerWaalsContact NH1-CB 3.29Å; P337-A339 PolarHBondContact O-N 2.79Å; P337-A339 VanDerWaalsContact O-N 3.12Å
340	E	96.8	Very high	97.3	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-78	-34.3	171.4	-179	53.6	-151.7	0	0	111.6	R117 W144 W336 P337 F338 V342 R343 K344 R347	R117-E340 IonicContact NE-OE2 3.94Å; W144-E340 HydrophobicContact CZ3-CG 4.5Å; W336-E340 HydrophobicContact CB-CB 4.02Å; W336-E340 HydrophobicContact CB-CG 4.04Å; W336-E340 HydrophobicContact CG-CB 4.36Å; W336-E340 HydrophobicContact CG-CG 4.27Å; P337-E340 HydrophobicContact CG-CB 4.27Å; P337-E340 WeakPolarHBondContact O-CB 3.41Å; P337-E340 PolarHBondContact O-N 2.92Å; F338-E340 PolarHBondContact O-N 3.45Å; E340-V342 VanDerWaalsContact C-N 3.27Å; E340-V342 PolarHBondContact O-N 3.21Å; E340-R343 WeakPolarHBondContact O-CA 3.28Å; E340-R343 WeakPolarHBondContact O-CB 3.38Å; E340-R343 PolarHBondContact O-N 3.13Å; E340-R343 IonicContact OE1-NE 2.58Å; E340-R343 IonicContact OE2-CZ 2.76Å; E340-R343 IonicContact OE2-NE 3.43Å; E340-R343 PolarHBondContact OE2-NE 3.3Å; E340-R343 IonicContact OE2-NH2 3.48Å; E340-R343 PolarHBondContact OE2-NH2 3.26Å; E340-K344 HydrophobicContact CG-CD 4.21Å; E340-K344 HydrophobicContact CG-CG 4.32Å; E340-K344 PolarHBondContact O-N 2.83Å; E340-R347 IonicContact OE1-NH2 3.82Å; E340-R347 PolarHBondContact OE1-NH2 2.66Å
341	T	97.9	Very high	97.3	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-59.2	-38.6	177	-52.8	0	0	0	0	112.1	I330 D331 T332 W336 P337 F338 R343 K344 C345 W374	I330-T341 HydrophobicContact CG2-CG2 3.81Å; D331-T341 WeakPolarHBondContact O-CG2 3.45Å; D331-T341 PolarHBondContact O-OG1 3.28Å; T332-T341 VanDerWaalsContact O-CB 3.25Å; T332-T341 WeakPolarHBondContact O-CB 3.39Å; T332-T341 WeakPolarHBondContact O-CG2 3.01Å; T332-T341 PolarHBondContact O-OG1 2.82Å; W336-T341 PolarHBondContact NE1-OG1 2.74Å; P337-T341 PolarHBondContact O-N 2.58Å; F338-T341 VanDerWaalsContact O-CB 3.28Å; F338-T341 WeakPolarHBondContact O-CB 3.38Å; F338-T341 PolarHBondContact O-N 3.37Å; T341-R343 PolarHBondContact O-N 3.29Å; T341-K344 PolarHBondContact O-N 3.35Å; T341-C345 WeakPolarHBondContact O-CB 3.21Å; T341-C345 PolarHBondContact O-N 3.41Å; T341-C345 PolarHBondContact O-SG 2.84Å; T341-W374 HydrophobicContact CG2-CZ3 3.8Å
342	V	97.6	Very high	97.2	Very high	18 Å²	18	7 Å²	7	11%	0.109	4%	0.041	C	C	.	.	H	α-helix	trans	-53	-44.5	173.4	173.9	0	0	0	0	110.8	F338 E340 C345 A346 W374 M375 F378 Y379	F338-V342 PolarHBondContact O-N 2.86Å; E340-V342 VanDerWaalsContact C-N 3.27Å; E340-V342 PolarHBondContact O-N 3.21Å; V342-C345 WeakPolarHBondContact O-CB 3.41Å; V342-A346 PolarHBondContact O-N 2.82Å; V342-W374 HydrophobicContact CG2-CB 4.26Å; V342-W374 HydrophobicContact CG2-CD2 3.66Å; V342-W374 HydrophobicContact CG2-CE3 3.74Å; V342-W374 HydrophobicContact CG2-CG 3.94Å; V342-W374 HydrophobicContact CG2-CZ3 4.27Å; V342-M375 WeakPolarHBondContact O-CE 3.46Å; V342-F378 HydrophobicContact CG1-CB 4.2Å; V342-F378 HydrophobicContact CG1-CD2 3.63Å; V342-F378 HydrophobicContact CG1-CE2 4.29Å; V342-F378 HydrophobicContact CG1-CG 4.04Å; V342-F378 HydrophobicContact CG2-CD2 4.47Å; V342-F378 HydrophobicContact CG2-CE2 4.4Å; V342-Y379 HydrophobicContact CG1-CE2 3.83Å
343	R	96.9	Very high	97.2	Very high	10 Å²	10	7.1 Å²	7.1	4%	0.038	4%	0.042	C	C	.	.	H	α-helix	trans	-73.7	-40.2	177.6	-56.6	-162.5	-69	-172.2	-4.5	112.8	T146 E215 E340 T341 C345 A346 R347	T146-R343 PolarHBondContact OG1-NH1 2.89Å; T146-R343 PolarHBondContact OG1-NH2 2.8Å; E215-R343 WeakPolarHBondContact OE1-CD 3.21Å; E215-R343 IonicContact OE1-CZ 3.6Å; E215-R343 IonicContact OE1-NE 3.37Å; E215-R343 IonicContact OE1-NH1 2.55Å; E215-R343 PolarHBondContact OE1-NH1 3.02Å; E340-R343 WeakPolarHBondContact O-CA 3.28Å; E340-R343 WeakPolarHBondContact O-CB 3.38Å; E340-R343 PolarHBondContact O-N 3.13Å; E340-R343 IonicContact OE1-NE 2.58Å; E340-R343 IonicContact OE2-CZ 2.76Å; E340-R343 IonicContact OE2-NE 3.43Å; E340-R343 PolarHBondContact OE2-NE 3.3Å; E340-R343 IonicContact OE2-NH2 3.48Å; E340-R343 PolarHBondContact OE2-NH2 3.26Å; T341-R343 PolarHBondContact O-N 3.29Å; R343-C345 VanDerWaalsContact C-N 3.29Å; R343-C345 PolarHBondContact O-N 3.18Å; R343-A346 PolarHBondContact O-N 2.86Å; R343-R347 WeakPolarHBondContact O-CG 3.3Å; R343-R347 PolarHBondContact O-N 3.43Å
344	K	97.2	Very high	97	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-57.5	-43	175	-78.9	175.1	165.5	-69.6	0	112	E173 R221 I330 W336 E340 T341 S348 G533	E173-K344 IonicContact OE2-NZ 3.74Å; E173-K344 PolarHBondContact OE2-NZ 3.09Å; R221-K344 PolarHBondContact O-NZ 3.18Å; I330-K344 HydrophobicContact CG2-CB 4.37Å; W336-K344 HydrophobicContact CD2-CD 3.93Å; W336-K344 VanDerWaalsContact CD2-CE 3.42Å; W336-K344 HydrophobicContact CG-CD 4.11Å; W336-K344 HydrophobicContact CZ2-CD 4.12Å; E340-K344 HydrophobicContact CG-CD 4.21Å; E340-K344 HydrophobicContact CG-CG 4.32Å; E340-K344 PolarHBondContact O-N 2.83Å; T341-K344 PolarHBondContact O-N 3.35Å; K344-S348 WeakPolarHBondContact O-CB 3.21Å; K344-S348 PolarHBondContact O-N 3.06Å; K344-S348 PolarHBondContact O-OG 3.23Å; K344-G533 PolarHBondContact NZ-O 3.3Å
345	C	97.7	Very high	96.9	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-54.6	-66.3	170.6	-72.1	0	0	0	0	108	T341 V342 R343 R347 S348 W349 M375	T341-C345 WeakPolarHBondContact O-CB 3.21Å; T341-C345 PolarHBondContact O-N 3.41Å; T341-C345 PolarHBondContact O-SG 2.84Å; V342-C345 WeakPolarHBondContact O-CB 3.41Å; R343-C345 VanDerWaalsContact C-N 3.29Å; R343-C345 PolarHBondContact O-N 3.18Å; C345-R347 PolarHBondContact O-N 3.21Å; C345-S348 WeakPolarHBondContact O-CA 3.39Å; C345-S348 PolarHBondContact O-N 3.13Å; C345-W349 VanDerWaalsContact CA-CD1 3.47Å; C345-W349 PolarHBondContact O-N 2.87Å; C345-M375 HydrophobicContact CB-CE 3.47Å; C345-M375 VanDerWaalsContact CB-CE 3.47Å; C345-M375 HydrophobicContact CB-SD 3.93Å
346	A	97.5	Very high	96.9	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-49.3	-42.6	-174.1	0	0	0	0	0	112.8	M175 V342 R343 S350 M375 Y379 L382	M175-A346 HydrophobicContact CE-CB 3.55Å; M175-A346 WeakPolarHBondContact CE-O 3.46Å; V342-A346 PolarHBondContact O-N 2.82Å; R343-A346 PolarHBondContact O-N 2.86Å; A346-S350 VanDerWaalsContact O-CB 3.26Å; A346-S350 WeakPolarHBondContact O-CB 3.32Å; A346-S350 PolarHBondContact O-N 3.41Å; A346-S350 PolarHBondContact O-OG 3.19Å; A346-M375 HydrophobicContact CB-CE 4.29Å; A346-M375 HydrophobicContact CB-SD 4.05Å; A346-Y379 HydrophobicContact CB-CD1 3.8Å; A346-Y379 HydrophobicContact CB-CD2 3.82Å; A346-Y379 HydrophobicContact CB-CE1 3.49Å; A346-Y379 VanDerWaalsContact CB-CE1 3.49Å; A346-Y379 HydrophobicContact CB-CE2 3.56Å; A346-Y379 HydrophobicContact CB-CG 3.94Å; A346-Y379 VanDerWaalsContact CB-CZ 3.4Å; A346-L382 HydrophobicContact CB-CD2 4.3Å
347	R	96.9	Very high	96.7	Very high	12 Å²	12	13.7 Å²	13.7	5%	0.045	7%	0.073	C	C	.	.	H	α-helix	trans	-61.7	-43	176.5	-73.2	-176	-69.7	112	-15.6	112.9	E173 A174 M175 G186 E340 R343 C345 S350 S351	E173-R347 IonicContact OE1-NH1 2.75Å; E173-R347 PolarHBondContact OE1-NH1 3.17Å; E173-R347 IonicContact OE2-CZ 2.7Å; E173-R347 IonicContact OE2-NH1 2.84Å; E173-R347 PolarHBondContact OE2-NH1 3.3Å; E173-R347 IonicContact OE2-NH2 3.67Å; E173-R347 PolarHBondContact OE2-NH2 2.89Å; A174-R347 WeakPolarHBondContact O-CD 3.4Å; M175-R347 HydrophobicContact CB-CG 3.83Å; M175-R347 HydrophobicContact CE-CB 4.21Å; M175-R347 HydrophobicContact CE-CG 3.62Å; M175-R347 HydrophobicContact CG-CG 4.37Å; M175-R347 HydrophobicContact SD-CG 3.9Å; G186-R347 PolarHBondContact N-O 2.77Å; E340-R347 IonicContact OE1-NH2 3.82Å; E340-R347 PolarHBondContact OE1-NH2 2.66Å; R343-R347 WeakPolarHBondContact O-CG 3.3Å; R343-R347 PolarHBondContact O-N 3.43Å; C345-R347 PolarHBondContact O-N 3.21Å; R347-S350 PolarHBondContact O-OG 3.45Å; R347-S351 WeakPolarHBondContact O-CB 3.34Å; R347-S351 PolarHBondContact O-N 3.2Å; R347-S351 PolarHBondContact O-OG 3.46Å
348	S	97	Very high	96.5	Very high	3 Å²	3	17.4 Å²	17.4	2%	0.021	9%	0.092	C	C	.	.	H	α-helix	trans	-71.6	-51.4	179.8	-53.3	0	0	0	0	111.5	K344 C345 S350 S351 V352 G535	K344-S348 WeakPolarHBondContact O-CB 3.21Å; K344-S348 PolarHBondContact O-N 3.06Å; K344-S348 PolarHBondContact O-OG 3.23Å; C345-S348 WeakPolarHBondContact O-CA 3.39Å; C345-S348 PolarHBondContact O-N 3.13Å; S348-S350 PolarHBondContact O-N 3.38Å; S348-S351 WeakPolarHBondContact O-CB 3.45Å; S348-S351 PolarHBondContact O-N 3.47Å; S348-V352 WeakPolarHBondContact O-CG2 3.4Å; S348-V352 PolarHBondContact O-N 3.4Å; S348-G535 PolarHBondContact OG-N 3.42Å
349	W	97.6	Very high	96.4	Very high	4 Å²	4	18.1 Å²	18.1	2%	0.015	10%	0.095	C	C	.	.	H	α-helix	trans	-66.1	-39.7	-176.3	-56.9	99.8	0	0	0	112.5	C345 S351 V352 V353 C366 Q371 L372 L382 I386 F395	C345-W349 VanDerWaalsContact CA-CD1 3.47Å; C345-W349 PolarHBondContact O-N 2.87Å; W349-S351 VanDerWaalsContact C-N 3.33Å; W349-S351 PolarHBondContact O-N 3.17Å; W349-V352 PolarHBondContact O-N 2.78Å; W349-V353 WeakPolarHBondContact O-CB 3.43Å; W349-V353 VanDerWaalsContact O-CG2 3.24Å; W349-V353 WeakPolarHBondContact O-CG2 3.44Å; W349-V353 PolarHBondContact O-N 3.18Å; W349-C366 HydrophobicContact CH2-CB 3.24Å; W349-C366 WeakPolarHBondContact CH2-SG 3.39Å; W349-C366 HydrophobicContact CZ2-CB 3.92Å; W349-C366 WeakPolarHBondContact CZ2-SG 3.44Å; W349-C366 HydrophobicContact CZ3-CB 3.83Å; W349-Q371 HydrophobicContact CZ2-CB 4.38Å; W349-L372 HydrophobicContact CE3-CD2 4.05Å; W349-L372 HydrophobicContact CH2-CD1 3.88Å; W349-L372 HydrophobicContact CH2-CD2 3.32Å; W349-L372 HydrophobicContact CH2-CG 3.41Å; W349-L372 VanDerWaalsContact CH2-CG 3.41Å; W349-L372 HydrophobicContact CZ2-CD2 4.17Å; W349-L372 HydrophobicContact CZ2-CG 4.16Å; W349-L372 HydrophobicContact CZ3-CD1 4.28Å; W349-L372 HydrophobicContact CZ3-CD2 3.21Å; W349-L372 HydrophobicContact CZ3-CG 3.86Å; W349-L382 HydrophobicContact CB-CD2 4.14Å; W349-I386 HydrophobicContact CB-CD1 3.89Å; W349-I386 HydrophobicContact CB-CG1 4.49Å; W349-I386 HydrophobicContact CD2-CD1 4.09Å; W349-I386 HydrophobicContact CE3-CD1 3.58Å; W349-I386 HydrophobicContact CE3-CG1 4.07Å; W349-I386 HydrophobicContact CE3-CG2 4.28Å; W349-I386 HydrophobicContact CG-CD1 4.17Å; W349-I386 HydrophobicContact CZ3-CD1 4.28Å; W349-I386 HydrophobicContact CZ3-CG2 4.18Å; W349-F395 HydrophobicContact CD2-CZ 4.1Å; W349-F395 AromaticContact CE3-CE1 3.8Å; W349-F395 HydrophobicContact CE3-CE1 3.8Å; W349-F395 AromaticContact CE3-CE2 3.53Å; W349-F395 HydrophobicContact CE3-CE2 3.53Å; W349-F395 AromaticContact CE3-CZ 2.98Å; W349-F395 HydrophobicContact CE3-CZ 2.98Å; W349-F395 HydrophobicContact CH2-CE1 4.03Å; W349-F395 AromaticContact CH2-CZ 3.91Å; W349-F395 HydrophobicContact CH2-CZ 3.91Å; W349-F395 HydrophobicContact CZ3-CD1 4.35Å; W349-F395 AromaticContact CZ3-CE1 3.19Å; W349-F395 HydrophobicContact CZ3-CE1 3.19Å; W349-F395 AromaticContact CZ3-CE2 3.86Å; W349-F395 HydrophobicContact CZ3-CE2 3.86Å; W349-F395 AromaticContact CZ3-CZ 2.88Å; W349-F395 HydrophobicContact CZ3-CZ 2.88Å
350	S	96.8	Very high	96.3	Very high	3 Å²	3	19.5 Å²	19.5	2%	0.021	11%	0.107	C	C	.	.	H	α-helix	trans	-61.3	-42.4	174.8	55.5	0	0	0	0	111.7	A346 R347 S348 V353 R354	A346-S350 VanDerWaalsContact O-CB 3.26Å; A346-S350 WeakPolarHBondContact O-CB 3.32Å; A346-S350 PolarHBondContact O-N 3.41Å; A346-S350 PolarHBondContact O-OG 3.19Å; R347-S350 PolarHBondContact O-OG 3.45Å; S348-S350 PolarHBondContact O-N 3.38Å; S350-V353 PolarHBondContact O-N 2.78Å; S350-R354 WeakPolarHBondContact O-CB 3.47Å; S350-R354 PolarHBondContact O-N 2.93Å
351	S	96.3	Very high	96	Very high	14 Å²	14	23.4 Å²	23.4	10%	0.098	13%	0.128	C	C	.	.	H	α-helix	trans	-62.4	-45	176	-53.6	0	0	0	0	112.1	Q185 G186 R347 S348 W349 R354 L355	Q185-S351 WeakPolarHBondContact CG-OG 3.4Å; G186-S351 PolarHBondContact N-OG 3.02Å; R347-S351 WeakPolarHBondContact O-CB 3.34Å; R347-S351 PolarHBondContact O-N 3.2Å; R347-S351 PolarHBondContact O-OG 3.46Å; S348-S351 WeakPolarHBondContact O-CB 3.45Å; S348-S351 PolarHBondContact O-N 3.47Å; W349-S351 VanDerWaalsContact C-N 3.33Å; W349-S351 PolarHBondContact O-N 3.17Å; S351-R354 PolarHBondContact O-N 3.33Å; S351-L355 WeakPolarHBondContact O-CG 3.28Å; S351-L355 PolarHBondContact O-N 3.16Å
352	V	97.1	Very high	96	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-65.3	-46.5	178.8	170.8	0	0	0	0	111.6	S348 W349 R354 L355 M356 F364 F395	S348-V352 WeakPolarHBondContact O-CG2 3.4Å; S348-V352 PolarHBondContact O-N 3.4Å; W349-V352 PolarHBondContact O-N 2.78Å; V352-R354 VanDerWaalsContact C-N 3.25Å; V352-R354 PolarHBondContact O-N 3.48Å; V352-L355 PolarHBondContact O-N 3.15Å; V352-M356 HydrophobicContact CG1-CE 3.91Å; V352-M356 WeakPolarHBondContact O-CG 3.41Å; V352-M356 PolarHBondContact O-N 3.02Å; V352-F364 HydrophobicContact CB-CD2 4.49Å; V352-F364 HydrophobicContact CG1-CB 3.88Å; V352-F364 HydrophobicContact CG1-CD1 4Å; V352-F364 HydrophobicContact CG1-CD2 3.69Å; V352-F364 HydrophobicContact CG1-CE1 4.45Å; V352-F364 HydrophobicContact CG1-CE2 4.16Å; V352-F364 HydrophobicContact CG1-CG 3.57Å; V352-F364 HydrophobicContact CG2-CD2 3.96Å; V352-F364 HydrophobicContact CG2-CE2 3.7Å; V352-F364 HydrophobicContact CG2-CZ 4.14Å; V352-F395 HydrophobicContact CG1-CE2 4.19Å
353	V	96.5	Very high	96	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.006	13%	0.13	C	C	.	.	H	α-helix	trans	-59.2	-41	178.3	167.1	0	0	0	0	110.7	W349 S350 M356 L382 Q385 I386 K389	W349-V353 WeakPolarHBondContact O-CB 3.43Å; W349-V353 VanDerWaalsContact O-CG2 3.24Å; W349-V353 WeakPolarHBondContact O-CG2 3.44Å; W349-V353 PolarHBondContact O-N 3.18Å; S350-V353 PolarHBondContact O-N 2.78Å; V353-M356 WeakPolarHBondContact O-CB 3.34Å; V353-M356 PolarHBondContact O-N 3.12Å; V353-L382 HydrophobicContact CG2-CD1 4.39Å; V353-Q385 HydrophobicContact CG1-CB 3.88Å; V353-I386 HydrophobicContact CG2-CG1 4.03Å; V353-K389 HydrophobicContact CG1-CG 4.47Å; V353-K389 HydrophobicContact CG2-CG 4.43Å
354	R	94.1	Very high	96	Very high	30 Å²	30	23.8 Å²	23.8	11%	0.113	13%	0.128	C	C	.	.	H	α-helix	trans	-64.9	-45.2	175.5	-168.6	176.2	-169.2	-126.1	-1.2	112.1	E197 S350 S351 V352 M356 E357	E197-R354 PolarHBondContact O-NH2 3.11Å; S350-R354 WeakPolarHBondContact O-CB 3.47Å; S350-R354 PolarHBondContact O-N 2.93Å; S351-R354 PolarHBondContact O-N 3.33Å; V352-R354 VanDerWaalsContact C-N 3.25Å; V352-R354 PolarHBondContact O-N 3.48Å; R354-M356 PolarHBondContact O-N 3.06Å; R354-E357 VanDerWaalsContact O-CB 3.27Å; R354-E357 WeakPolarHBondContact O-CB 3.21Å; R354-E357 PolarHBondContact O-N 2.99Å
355	L	95.8	Very high	96	Very high	20 Å²	20	23.9 Å²	23.9	11%	0.105	13%	0.129	C	C	.	.	H	α-helix	trans	-58.9	-35.6	175	-75.3	169.1	0	0	0	112.2	S351 V352 E357 D358 Y359 L362 P537 R539	S351-L355 WeakPolarHBondContact O-CG 3.28Å; S351-L355 PolarHBondContact O-N 3.16Å; V352-L355 PolarHBondContact O-N 3.15Å; L355-E357 PolarHBondContact O-N 3.43Å; L355-E357 VanDerWaalsContact O-N 3.15Å; L355-D358 PolarHBondContact O-N 3.13Å; L355-D358 VanDerWaalsContact O-N 3.11Å; L355-Y359 HydrophobicContact CB-CD2 4.43Å; L355-Y359 HydrophobicContact CD2-CD2 4.04Å; L355-Y359 HydrophobicContact CD2-CE2 3.88Å; L355-Y359 WeakPolarHBondContact O-CD2 3.21Å; L355-Y359 PolarHBondContact O-N 2.88Å; L355-L362 HydrophobicContact CB-CD2 3.6Å; L355-P537 HydrophobicContact CD1-CB 4.46Å; L355-P537 WeakPolarHBondContact CD1-O 3.49Å; L355-R539 HydrophobicContact CD2-CB 4.37Å
356	M	96.8	Very high	96	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.005	13%	0.131	C	C	.	.	H	α-helix	trans	-65.5	-11.9	175.6	-69.9	179.1	174.9	0	0	113.6	V352 V353 R354 L362 F364 K389 R394 F395	V352-M356 HydrophobicContact CG1-CE 3.91Å; V352-M356 WeakPolarHBondContact O-CG 3.41Å; V352-M356 PolarHBondContact O-N 3.02Å; V353-M356 WeakPolarHBondContact O-CB 3.34Å; V353-M356 PolarHBondContact O-N 3.12Å; R354-M356 PolarHBondContact O-N 3.06Å; M356-L362 HydrophobicContact CG-CB 4.45Å; M356-L362 HydrophobicContact CG-CD2 3.82Å; M356-L362 HydrophobicContact CG-CG 4.08Å; M356-F364 HydrophobicContact CE-CB 3.4Å; M356-F364 HydrophobicContact CE-CG 4.43Å; M356-K389 HydrophobicContact CB-CD 4.39Å; M356-K389 HydrophobicContact SD-CB 3.91Å; M356-K389 HydrophobicContact SD-CD 4.12Å; M356-K389 HydrophobicContact SD-CG 3.88Å; M356-R394 HydrophobicContact CE-CB 4.29Å; M356-R394 VanDerWaalsContact CE-O 3.31Å; M356-R394 WeakPolarHBondContact CE-O 3.19Å; M356-R394 PolarHBondContact O-NH1 3.38Å; M356-R394 HydrophobicContact SD-CB 4.18Å; M356-F395 HydrophobicContact CE-CB 4.22Å; M356-F395 HydrophobicContact CE-CD2 3.95Å; M356-F395 HydrophobicContact CE-CG 4.45Å; M356-F395 HydrophobicContact SD-CD2 4.39Å
357	E	93.2	Very high	96	Very high	118 Å²	118	24.2 Å²	24.2	55%	0.551	13%	0.131	S	C	*	.	H	α-helix	trans	-74.4	-36.7	172.4	-59.3	177.2	166.3	0	0	111.1	R354 L355	R354-E357 VanDerWaalsContact O-CB 3.27Å; R354-E357 WeakPolarHBondContact O-CB 3.21Å; R354-E357 PolarHBondContact O-N 2.99Å; L355-E357 PolarHBondContact O-N 3.43Å; L355-E357 VanDerWaalsContact O-N 3.15Å
358	D	92.8	Very high	96	Very high	80 Å²	80	23.7 Å²	23.7	43%	0.428	13%	0.13	S	C	.	.	H	α-helix	trans	-93.6	-30.1	-176.4	-60.6	-47.2	0	0	0	112.9	K200 L355	K200-D358 WeakPolarHBondContact CE-OD1 3.49Å; K200-D358 IonicContact NZ-OD1 3.57Å; K200-D358 PolarHBondContact NZ-OD1 3.32Å; K200-D358 IonicContact NZ-OD2 3.94Å; K200-D358 PolarHBondContact NZ-OD2 2.63Å; L355-D358 PolarHBondContact O-N 3.13Å; L355-D358 VanDerWaalsContact O-N 3.11Å
359	Y	96	Very high	96.1	Very high	25 Å²	25	23.6 Å²	23.6	10%	0.098	13%	0.129	C	C	.	.			trans	-115	95.7	-173.4	-61.6	-78	0	0	0	111.2	L355 D361 L362 R539 C542 E543	L355-Y359 HydrophobicContact CB-CD2 4.43Å; L355-Y359 HydrophobicContact CD2-CD2 4.04Å; L355-Y359 HydrophobicContact CD2-CE2 3.88Å; L355-Y359 WeakPolarHBondContact O-CD2 3.21Å; L355-Y359 PolarHBondContact O-N 2.88Å; Y359-D361 PolarHBondContact O-N 3.22Å; Y359-L362 WeakPolarHBondContact O-CB 3.45Å; Y359-L362 PolarHBondContact O-N 3.33Å; Y359-R539 HydrophobicContact CE2-CG 4.23Å; Y359-R539 WeakPolarHBondContact OH-CG 3.34Å; Y359-R539 PolarHBondContact OH-NE 3.02Å; Y359-C542 HydrophobicContact CD1-CB 3.6Å; Y359-C542 HydrophobicContact CD2-CB 3.74Å; Y359-C542 HydrophobicContact CE1-CB 3.68Å; Y359-C542 HydrophobicContact CE2-CB 3.83Å; Y359-C542 HydrophobicContact CG-CB 3.64Å; Y359-E543 HydrophobicContact CE1-CG 4.45Å; Y359-E543 WeakPolarHBondContact CE1-OE1 2.96Å; Y359-E543 VanDerWaalsContact CZ-OE1 3.28Å; Y359-E543 PolarHBondContact OH-OE1 3.31Å
360	A	93.4	Very high	96.2	Very high	71 Å²	71	23.6 Å²	23.6	59%	0.587	13%	0.129	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-33.7	178.5	0	0	0	0	0	112.9	L362	A360-L362 VanDerWaalsContact C-N 3.27Å; A360-L362 PolarHBondContact O-N 2.98Å
361	D	91.5	Very high	96.3	Very high	82 Å²	82	23.4 Å²	23.4	44%	0.439	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-0.2	-179.5	-58.9	-51.7	0	0	0	113.8	Y359 H363 T559	Y359-D361 PolarHBondContact O-N 3.22Å; D361-H363 PolarHBondContact O-CD2 3.09Å; D361-H363 PolarHBondContact O-N 3.08Å; D361-T559 WeakPolarHBondContact O-CB 3.42Å; D361-T559 WeakPolarHBondContact O-CG2 3.48Å; D361-T559 PolarHBondContact O-OG1 3.33Å
362	L	96.6	Very high	96.4	Very high	2 Å²	2	22.8 Å²	22.8	1%	0.01	12%	0.123	C	C	.	.			trans	-75	105.3	176.7	176.4	57.8	0	0	0	110.4	L355 M356 Y359 A360 Y528 P537	L355-L362 HydrophobicContact CB-CD2 3.6Å; M356-L362 HydrophobicContact CG-CB 4.45Å; M356-L362 HydrophobicContact CG-CD2 3.82Å; M356-L362 HydrophobicContact CG-CG 4.08Å; Y359-L362 WeakPolarHBondContact O-CB 3.45Å; Y359-L362 PolarHBondContact O-N 3.33Å; A360-L362 VanDerWaalsContact C-N 3.27Å; A360-L362 PolarHBondContact O-N 2.98Å; L362-Y528 HydrophobicContact CD1-CE2 4.47Å; L362-Y528 WeakPolarHBondContact CD1-OH 3.43Å; L362-P537 HydrophobicContact CD1-CB 4.37Å; L362-P537 HydrophobicContact CD1-CG 4.29Å
363	H	97.6	Very high	96.4	Very high	31 Å²	31	23.7 Å²	23.7	14%	0.144	13%	0.13	C	C	.	.			trans	-99.1	131.9	165.1	-71.7	-110.5	0	0	0	108.9	L325 G326 D361 R394 H396 G560	L325-H363 HydrophobicContact CD1-CB 3.91Å; G326-H363 WeakPolarHBondContact CA-O 3.43Å; G326-H363 PolarHBondContact N-O 3.27Å; D361-H363 PolarHBondContact O-CD2 3.09Å; D361-H363 PolarHBondContact O-N 3.08Å; H363-R394 WeakPolarHBondContact CA-O 3.38Å; H363-H396 AromaticContact CG-NE2 3.7Å; H363-H396 AromaticContact ND1-CE1 3.67Å; H363-H396 AromaticContact ND1-NE2 2.97Å; H363-H396 PolarHBondContact ND1-NE2 3.42Å; H363-G560 WeakPolarHBondContact ND1-CA 3.25Å
364	F	98.2	Very high	96.5	Very high	2 Å²	2	24.7 Å²	24.7	1%	0.009	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	135.7	-177.2	-179.8	-93	0	0	0	111.3	G326 C328 V352 M356 C366 R394 F395 H396 P537	G326-F364 CarbonylContact O-C 3.54Å; G326-F364 VanDerWaalsContact O-CA 3.25Å; G326-F364 WeakPolarHBondContact O-CA 3.4Å; C328-F364 HydrophobicContact CB-CE2 3.69Å; C328-F364 HydrophobicContact CB-CZ 3.45Å; C328-F364 VanDerWaalsContact CB-CZ 3.45Å; V352-F364 HydrophobicContact CB-CD2 4.49Å; V352-F364 HydrophobicContact CG1-CB 3.88Å; V352-F364 HydrophobicContact CG1-CD1 4Å; V352-F364 HydrophobicContact CG1-CD2 3.69Å; V352-F364 HydrophobicContact CG1-CE1 4.45Å; V352-F364 HydrophobicContact CG1-CE2 4.16Å; V352-F364 HydrophobicContact CG1-CG 3.57Å; V352-F364 HydrophobicContact CG2-CD2 3.96Å; V352-F364 HydrophobicContact CG2-CE2 3.7Å; V352-F364 HydrophobicContact CG2-CZ 4.14Å; M356-F364 HydrophobicContact CE-CB 3.4Å; M356-F364 HydrophobicContact CE-CG 4.43Å; F364-C366 HydrophobicContact CE1-CB 3.98Å; F364-R394 PolarHBondContact N-O 2.95Å; F364-F395 HydrophobicContact CD1-CD1 4.28Å; F364-F395 HydrophobicContact CD1-CD2 4.03Å; F364-F395 AromaticContact CD1-CE1 3.66Å; F364-F395 HydrophobicContact CD1-CE1 3.66Å; F364-F395 AromaticContact CD1-CE2 3.4Å; F364-F395 HydrophobicContact CD1-CE2 3.4Å; F364-F395 HydrophobicContact CD1-CG 4.4Å; F364-F395 AromaticContact CD1-CZ 3.13Å; F364-F395 HydrophobicContact CD1-CZ 3.13Å; F364-F395 AromaticContact CE1-CE1 3.87Å; F364-F395 HydrophobicContact CE1-CE1 3.87Å; F364-F395 AromaticContact CE1-CE2 3.73Å; F364-F395 HydrophobicContact CE1-CE2 3.73Å; F364-F395 AromaticContact CE1-CZ 3.16Å; F364-F395 HydrophobicContact CE1-CZ 3.16Å; F364-F395 HydrophobicContact CG-CE2 4.34Å; F364-F395 HydrophobicContact CG-CZ 4.38Å; F364-F395 HydrophobicContact CZ-CZ 4.42Å; F364-H396 PolarHBondContact O-CD2 2.94Å; F364-H396 PolarHBondContact O-N 2.97Å; F364-P537 HydrophobicContact CD2-CG 4.06Å; F364-P537 HydrophobicContact CE2-CG 4.39Å
365	A	97.2	Very high	96.7	Very high	3 Å²	3	23.3 Å²	23.3	3%	0.025	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	139.8	175.2	0	0	0	0	0	112.7	L325 G326 H396 V398 W438	L325-A365 HydrophobicContact CD1-CB 4.22Å; L325-A365 HydrophobicContact CD2-CB 3.78Å; L325-A365 HydrophobicContact CG-CB 4.05Å; G326-A365 PolarHBondContact O-N 3.28Å; A365-H396 CarbonylContact C-O 3.58Å; A365-H396 VanDerWaalsContact CA-O 3.28Å; A365-H396 WeakPolarHBondContact CA-O 3.39Å; A365-H396 HydrophobicContact CB-CB 4.48Å; A365-V398 HydrophobicContact CB-CG1 3.94Å; A365-V398 HydrophobicContact CB-CG2 4.11Å; A365-W438 HydrophobicContact CB-CZ2 4.26Å
366	C	97.1	Very high	96.8	Very high	4 Å²	4	26.2 Å²	26.2	3%	0.027	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	137.5	167.7	-162.2	0	0	0	0	113.2	W349 F364 F395 H396 I397 V398	W349-C366 HydrophobicContact CH2-CB 3.24Å; W349-C366 WeakPolarHBondContact CH2-SG 3.39Å; W349-C366 HydrophobicContact CZ2-CB 3.92Å; W349-C366 WeakPolarHBondContact CZ2-SG 3.44Å; W349-C366 HydrophobicContact CZ3-CB 3.83Å; F364-C366 HydrophobicContact CE1-CB 3.98Å; C366-F395 HydrophobicContact CB-CE1 3.76Å; C366-F395 HydrophobicContact CB-CZ 4.14Å; C366-H396 PolarHBondContact N-O 3.17Å; C366-I397 WeakPolarHBondContact O-CA 3.35Å; C366-V398 WeakPolarHBondContact O-CG2 3.08Å; C366-V398 PolarHBondContact O-N 3.01Å
367	S	97.3	Very high	96.8	Very high	2 Å²	2	32.5 Å²	32.5	1%	0.014	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	-49	-168.5	-172.3	0	0	0	0	114.4	A369 V398 E404 F426 W438	S367-A369 PolarHBondContact O-N 2.55Å; S367-V398 WeakPolarHBondContact CA-O 3.43Å; S367-E404 WeakPolarHBondContact CB-OE1 3.3Å; S367-E404 WeakPolarHBondContact OG-CG 3.16Å; S367-E404 PolarHBondContact OG-OE1 3.32Å; S367-F426 WeakPolarHBondContact O-CZ 3.33Å; S367-W438 PolarHBondContact OG-O 2.81Å
368	Q	98.2	Very high	97	Very high	2 Å²	2	32 Å²	32	1%	0.009	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	118.3	-163.6	-55	85.3	-13.2	0	0	112.7	L370 Q371 L372 E404	Q368-L370 VanDerWaalsContact C-N 3.3Å; Q368-L370 PolarHBondContact O-N 2.99Å; Q368-Q371 HydrophobicContact CB-CB 4.18Å; Q368-Q371 HydrophobicContact CB-CG 3.82Å; Q368-Q371 HydrophobicContact CG-CG 4.4Å; Q368-Q371 PolarHBondContact O-N 3.19Å; Q368-L372 PolarHBondContact O-N 2.82Å; Q368-E404 HydrophobicContact CG-CG 4.03Å; Q368-E404 PolarHBondContact NE2-OE1 2.76Å; Q368-E404 PolarHBondContact NE2-OE2 2.96Å
369	A	98.7	Very high	97.2	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-63.8	-34.7	173.3	0	0	0	0	0	112.7	S367 Q371 L372 S373 S401 W402 Y425 F426	S367-A369 PolarHBondContact O-N 2.55Å; A369-Q371 VanDerWaalsContact C-N 3.33Å; A369-Q371 PolarHBondContact O-N 2.68Å; A369-L372 PolarHBondContact O-N 2.72Å; A369-S373 PolarHBondContact O-N 2.68Å; A369-S401 WeakPolarHBondContact CB-O 3.19Å; A369-S401 PolarHBondContact N-O 2.86Å; A369-W402 HydrophobicContact CB-CE3 3.93Å; A369-W402 HydrophobicContact CB-CZ3 4.27Å; A369-W402 PolarHBondContact N-O 3.27Å; A369-Y425 HydrophobicContact CB-CD1 3.66Å; A369-Y425 HydrophobicContact CB-CE1 4.48Å; A369-Y425 HydrophobicContact CB-CG 4.21Å; A369-F426 HydrophobicContact CB-CD1 4.4Å; A369-F426 HydrophobicContact CB-CE1 3.83Å; A369-F426 HydrophobicContact CB-CE2 4.35Å; A369-F426 HydrophobicContact CB-CZ 3.82Å
370	L	98.7	Very high	97.3	Very high	4 Å²	4	32 Å²	32	2%	0.021	17%	0.171	C	C	.	.	H	α-helix	trans	-56.4	-46.5	176.6	175.5	62.1	0	0	0	111.7	T332 Q368 L372 S373 W374 W402 V403 Q641	T332-L370 HydrophobicContact CG2-CD2 3.72Å; Q368-L370 VanDerWaalsContact C-N 3.3Å; Q368-L370 PolarHBondContact O-N 2.99Å; L370-L372 VanDerWaalsContact C-N 3.31Å; L370-L372 PolarHBondContact O-N 2.9Å; L370-S373 WeakPolarHBondContact O-CB 3.16Å; L370-S373 PolarHBondContact O-N 2.82Å; L370-S373 VanDerWaalsContact O-N 3.13Å; L370-S373 PolarHBondContact O-OG 3.18Å; L370-W374 HydrophobicContact CD1-CD2 4.35Å; L370-W374 HydrophobicContact CD1-CZ2 3.8Å; L370-W374 HydrophobicContact CD2-CH2 3.82Å; L370-W374 HydrophobicContact CD2-CZ2 3.64Å; L370-W374 HydrophobicContact CG-CD2 4.22Å; L370-W374 HydrophobicContact CG-CH2 4.03Å; L370-W374 HydrophobicContact CG-CZ2 3.66Å; L370-W374 HydrophobicContact CG-CZ3 4.43Å; L370-W374 PolarHBondContact O-N 3.25Å; L370-W402 HydrophobicContact CB-CD2 4.28Å; L370-W402 HydrophobicContact CB-CZ2 4.22Å; L370-W402 VanDerWaalsContact CB-O 3.28Å; L370-W402 WeakPolarHBondContact CB-O 3.48Å; L370-W402 HydrophobicContact CD1-CH2 4.47Å; L370-W402 HydrophobicContact CD1-CZ2 3.55Å; L370-W402 HydrophobicContact CG-CZ2 4.48Å; L370-W402 PolarHBondContact N-O 2.65Å; L370-V403 HydrophobicContact CB-CG1 3.92Å; L370-V403 HydrophobicContact CD2-CG1 3.57Å; L370-V403 HydrophobicContact CG-CG1 4.42Å; L370-Q641 HydrophobicContact CD2-CB 4.03Å; L370-Q641 HydrophobicContact CD2-CG 3.75Å
371	Q	98.4	Very high	97.4	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-63.2	-39.7	-178.9	-67.3	-178.1	8.8	0	0	111.8	I330 W349 Q368 A369 W374 M375	I330-Q371 PolarHBondContact O-NE2 2.94Å; W349-Q371 HydrophobicContact CZ2-CB 4.38Å; Q368-Q371 HydrophobicContact CB-CB 4.18Å; Q368-Q371 HydrophobicContact CB-CG 3.82Å; Q368-Q371 HydrophobicContact CG-CG 4.4Å; Q368-Q371 PolarHBondContact O-N 3.19Å; A369-Q371 VanDerWaalsContact C-N 3.33Å; A369-Q371 PolarHBondContact O-N 2.68Å; Q371-W374 HydrophobicContact CG-CE3 4.37Å; Q371-W374 HydrophobicContact CG-CZ3 4.34Å; Q371-W374 WeakPolarHBondContact O-CB 3.47Å; Q371-W374 PolarHBondContact O-N 3.4Å; Q371-M375 WeakPolarHBondContact O-CG 3.49Å; Q371-M375 PolarHBondContact O-N 2.92Å; Q371-M375 VanDerWaalsContact O-N 3.12Å
372	L	98.5	Very high	97.7	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-67.5	-37.3	174.6	-80	167.2	0	0	0	112.4	W349 Q368 A369 L370 W374 M375 E376 I386 I397 Y425 F426 F430	W349-L372 HydrophobicContact CE3-CD2 4.05Å; W349-L372 HydrophobicContact CH2-CD1 3.88Å; W349-L372 HydrophobicContact CH2-CD2 3.32Å; W349-L372 HydrophobicContact CH2-CG 3.41Å; W349-L372 VanDerWaalsContact CH2-CG 3.41Å; W349-L372 HydrophobicContact CZ2-CD2 4.17Å; W349-L372 HydrophobicContact CZ2-CG 4.16Å; W349-L372 HydrophobicContact CZ3-CD1 4.28Å; W349-L372 HydrophobicContact CZ3-CD2 3.21Å; W349-L372 HydrophobicContact CZ3-CG 3.86Å; Q368-L372 PolarHBondContact O-N 2.82Å; A369-L372 PolarHBondContact O-N 2.72Å; L370-L372 VanDerWaalsContact C-N 3.31Å; L370-L372 PolarHBondContact O-N 2.9Å; L372-W374 VanDerWaalsContact C-N 3.29Å; L372-W374 PolarHBondContact O-N 3.47Å; L372-M375 WeakPolarHBondContact O-CB 3.19Å; L372-M375 PolarHBondContact O-N 3.23Å; L372-M375 VanDerWaalsContact O-N 3.08Å; L372-E376 PolarHBondContact O-N 3.36Å; L372-I386 HydrophobicContact CD2-CD1 4.35Å; L372-I386 HydrophobicContact CD2-CG2 3.89Å; L372-I397 HydrophobicContact CD1-CG2 3.95Å; L372-Y425 VanDerWaalsContact C-OH 3.32Å; L372-Y425 HydrophobicContact CB-CE1 3.73Å; L372-Y425 PolarHBondContact O-OH 3.17Å; L372-F426 HydrophobicContact CD1-CE1 3.67Å; L372-F426 HydrophobicContact CD1-CZ 4.43Å; L372-F430 HydrophobicContact CD1-CE2 3.93Å; L372-F430 HydrophobicContact CD1-CZ 4.09Å; L372-F430 HydrophobicContact CD2-CZ 4.18Å
373	S	98.4	Very high	97.8	Very high	19 Å²	19	27 Å²	27	13%	0.133	14%	0.137	C	C	.	.	H	α-helix	trans	-63.6	-35.2	174.3	79.5	0	0	0	0	112.2	A369 L370 E376 E377 Y425	A369-S373 PolarHBondContact O-N 2.68Å; L370-S373 WeakPolarHBondContact O-CB 3.16Å; L370-S373 PolarHBondContact O-N 2.82Å; L370-S373 VanDerWaalsContact O-N 3.13Å; L370-S373 PolarHBondContact O-OG 3.18Å; S373-E376 WeakPolarHBondContact O-CB 3.4Å; S373-E376 PolarHBondContact O-N 2.67Å; S373-E377 WeakPolarHBondContact O-CB 3.27Å; S373-E377 PolarHBondContact O-N 2.73Å; S373-Y425 WeakPolarHBondContact CA-OH 3.39Å; S373-Y425 PolarHBondContact N-OH 2.93Å
374	W	98.4	Very high	97.9	Very high	23 Å²	23	28.2 Å²	28.2	9%	0.087	15%	0.152	C	C	.	.	H	α-helix	trans	-67.5	-35.2	171.3	-67	-25.5	0	0	0	112.6	T332 F338 T341 V342 L370 Q371 L372 E376 E377 F378	T332-W374 HydrophobicContact CG2-CH2 3.67Å; T332-W374 HydrophobicContact CG2-CZ3 4.18Å; F338-W374 HydrophobicContact CD1-CH2 4.26Å; T341-W374 HydrophobicContact CG2-CZ3 3.8Å; V342-W374 HydrophobicContact CG2-CB 4.26Å; V342-W374 HydrophobicContact CG2-CD2 3.66Å; V342-W374 HydrophobicContact CG2-CE3 3.74Å; V342-W374 HydrophobicContact CG2-CG 3.94Å; V342-W374 HydrophobicContact CG2-CZ3 4.27Å; L370-W374 HydrophobicContact CD1-CD2 4.35Å; L370-W374 HydrophobicContact CD1-CZ2 3.8Å; L370-W374 HydrophobicContact CD2-CH2 3.82Å; L370-W374 HydrophobicContact CD2-CZ2 3.64Å; L370-W374 HydrophobicContact CG-CD2 4.22Å; L370-W374 HydrophobicContact CG-CH2 4.03Å; L370-W374 HydrophobicContact CG-CZ2 3.66Å; L370-W374 HydrophobicContact CG-CZ3 4.43Å; L370-W374 PolarHBondContact O-N 3.25Å; Q371-W374 HydrophobicContact CG-CE3 4.37Å; Q371-W374 HydrophobicContact CG-CZ3 4.34Å; Q371-W374 WeakPolarHBondContact O-CB 3.47Å; Q371-W374 PolarHBondContact O-N 3.4Å; L372-W374 VanDerWaalsContact C-N 3.29Å; L372-W374 PolarHBondContact O-N 3.47Å; W374-E376 VanDerWaalsContact C-N 3.34Å; W374-E377 PolarHBondContact O-N 3.01Å; W374-F378 HydrophobicContact CB-CD2 4.06Å; W374-F378 HydrophobicContact CB-CE2 4.4Å; W374-F378 AromaticContact CD1-CE2 3.97Å; W374-F378 HydrophobicContact CG-CD2 4.49Å; W374-F378 HydrophobicContact CG-CE2 4.36Å; W374-F378 WeakPolarHBondContact O-CB 3.44Å; W374-F378 VanDerWaalsContact O-CD2 3.31Å; W374-F378 WeakPolarHBondContact O-CD2 3.38Å; W374-F378 PolarHBondContact O-N 2.96Å
375	M	98.3	Very high	97.8	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-65.7	-40.3	173.6	-63.2	-57.5	90.8	0	0	111	V342 C345 A346 Q371 L372 Y379 L382 F383 I386	V342-M375 WeakPolarHBondContact O-CE 3.46Å; C345-M375 HydrophobicContact CB-CE 3.47Å; C345-M375 VanDerWaalsContact CB-CE 3.47Å; C345-M375 HydrophobicContact CB-SD 3.93Å; A346-M375 HydrophobicContact CB-CE 4.29Å; A346-M375 HydrophobicContact CB-SD 4.05Å; Q371-M375 WeakPolarHBondContact O-CG 3.49Å; Q371-M375 PolarHBondContact O-N 2.92Å; Q371-M375 VanDerWaalsContact O-N 3.12Å; L372-M375 WeakPolarHBondContact O-CB 3.19Å; L372-M375 PolarHBondContact O-N 3.23Å; L372-M375 VanDerWaalsContact O-N 3.08Å; M375-Y379 HydrophobicContact CE-CD2 3.63Å; M375-Y379 HydrophobicContact CE-CE2 3.96Å; M375-Y379 CarbonylContact O-C 3.41Å; M375-Y379 VanDerWaalsContact O-CA 3.26Å; M375-Y379 WeakPolarHBondContact O-CA 3.47Å; M375-Y379 PolarHBondContact O-N 2.62Å; M375-Y379 VanDerWaalsContact O-O 3.07Å; M375-Y379 HydrophobicContact SD-CD2 4.06Å; M375-L382 HydrophobicContact SD-CD2 4.11Å; M375-F383 HydrophobicContact CB-CB 4.35Å; M375-F383 HydrophobicContact CB-CD2 4.15Å; M375-I386 HydrophobicContact CB-CD1 4.31Å; M375-I386 HydrophobicContact CG-CD1 4.23Å
376	E	98.2	Very high	97.9	Very high	81 Å²	81	31.2 Å²	31.2	38%	0.379	17%	0.166	S	C	.	.	H	α-helix	trans	-61.4	-43.5	175.1	-172.5	173.7	-173.1	0	0	112.1	L372 S373 W374 F383 Y425	L372-E376 PolarHBondContact O-N 3.36Å; S373-E376 WeakPolarHBondContact O-CB 3.4Å; S373-E376 PolarHBondContact O-N 2.67Å; W374-E376 VanDerWaalsContact C-N 3.34Å; E376-F383 HydrophobicContact CB-CD1 3.88Å; E376-F383 HydrophobicContact CB-CD2 3.8Å; E376-F383 HydrophobicContact CB-CE1 3.93Å; E376-F383 HydrophobicContact CB-CE2 3.85Å; E376-F383 HydrophobicContact CB-CG 3.8Å; E376-F383 HydrophobicContact CB-CZ 3.9Å; E376-F383 HydrophobicContact CG-CD1 3.82Å; E376-F383 HydrophobicContact CG-CE1 3.68Å; E376-F383 HydrophobicContact CG-CE2 4.47Å; E376-F383 HydrophobicContact CG-CG 4.26Å; E376-F383 HydrophobicContact CG-CZ 4.02Å; E376-Y425 VanDerWaalsContact OE2-CE2 3.27Å; E376-Y425 WeakPolarHBondContact OE2-CE2 3.36Å; E376-Y425 PolarHBondContact OE2-OH 3.43Å
377	E	97.2	Very high	97.9	Very high	133 Å²	133	37.6 Å²	37.6	62%	0.621	19%	0.19	S	C	*	.	H	α-helix	trans	-74.2	-52.9	-178.4	-175.5	176.2	174.4	0	0	112.9	S373 W374	S373-E377 WeakPolarHBondContact O-CB 3.27Å; S373-E377 PolarHBondContact O-N 2.73Å; W374-E377 PolarHBondContact O-N 3.01Å
378	F	96.5	Very high	97.9	Very high	107 Å²	107	42.3 Å²	42.3	47%	0.469	21%	0.211	S	C	.	.	H	α-helix	trans	-96.3	-22.7	-169.3	-60.2	-69.8	0	0	0	113.9	V342 W374	V342-F378 HydrophobicContact CG1-CB 4.2Å; V342-F378 HydrophobicContact CG1-CD2 3.63Å; V342-F378 HydrophobicContact CG1-CE2 4.29Å; V342-F378 HydrophobicContact CG1-CG 4.04Å; V342-F378 HydrophobicContact CG2-CD2 4.47Å; V342-F378 HydrophobicContact CG2-CE2 4.4Å; W374-F378 HydrophobicContact CB-CD2 4.06Å; W374-F378 HydrophobicContact CB-CE2 4.4Å; W374-F378 AromaticContact CD1-CE2 3.97Å; W374-F378 HydrophobicContact CG-CD2 4.49Å; W374-F378 HydrophobicContact CG-CE2 4.36Å; W374-F378 WeakPolarHBondContact O-CB 3.44Å; W374-F378 VanDerWaalsContact O-CD2 3.31Å; W374-F378 WeakPolarHBondContact O-CD2 3.38Å; W374-F378 PolarHBondContact O-N 2.96Å
379	Y	97.5	Very high	97.9	Very high	22 Å²	22	43.4 Å²	43.4	9%	0.086	22%	0.216	C	C	.	.			trans	-135	56.8	-176.2	-56.9	-93.6	0	0	0	112.2	W177 P183 V342 A346 M375 S381 L382 F383	W177-Y379 AromaticContact CH2-CD1 3.87Å; W177-Y379 HydrophobicContact CH2-CD1 3.87Å; W177-Y379 AromaticContact CH2-CE1 3.39Å; W177-Y379 HydrophobicContact CH2-CE1 3.39Å; W177-Y379 AromaticContact CZ2-CE1 3.87Å; W177-Y379 HydrophobicContact CZ2-CE1 3.87Å; W177-Y379 HydrophobicContact CZ3-CD1 4.44Å; W177-Y379 HydrophobicContact CZ3-CE1 4.36Å; P183-Y379 HydrophobicContact CG-CD1 4.08Å; V342-Y379 HydrophobicContact CG1-CE2 3.83Å; A346-Y379 HydrophobicContact CB-CD1 3.8Å; A346-Y379 HydrophobicContact CB-CD2 3.82Å; A346-Y379 HydrophobicContact CB-CE1 3.49Å; A346-Y379 VanDerWaalsContact CB-CE1 3.49Å; A346-Y379 HydrophobicContact CB-CE2 3.56Å; A346-Y379 HydrophobicContact CB-CG 3.94Å; A346-Y379 VanDerWaalsContact CB-CZ 3.4Å; M375-Y379 HydrophobicContact CE-CD2 3.63Å; M375-Y379 HydrophobicContact CE-CE2 3.96Å; M375-Y379 CarbonylContact O-C 3.41Å; M375-Y379 VanDerWaalsContact O-CA 3.26Å; M375-Y379 WeakPolarHBondContact O-CA 3.47Å; M375-Y379 PolarHBondContact O-N 2.62Å; M375-Y379 VanDerWaalsContact O-O 3.07Å; M375-Y379 HydrophobicContact SD-CD2 4.06Å; Y379-S381 PolarHBondContact O-N 3.05Å; Y379-L382 WeakPolarHBondContact O-CA 3.32Å; Y379-L382 WeakPolarHBondContact O-CB 3.22Å; Y379-L382 PolarHBondContact O-N 3.3Å; Y379-F383 PolarHBondContact O-N 2.67Å
380	P	97.2	Very high	97.9	Very high	83 Å²	83	43.7 Å²	43.7	54%	0.539	22%	0.218	S	C	.	.	H	α-helix	trans	-58.2	-30.9	-170	21.8	-34.4	0	0	0	113.9	F383 A384	P380-F383 PolarHBondContact O-N 2.85Å; P380-A384 PolarHBondContact O-N 2.82Å
381	S	96.7	Very high	97.8	Very high	34 Å²	34	50.9 Å²	50.9	24%	0.238	25%	0.251	C	S	.	.	H	α-helix	trans	-68.4	-35.4	175.7	63.1	0	0	0	0	113.5	H182 Y379 Q385	H182-S381 WeakPolarHBondContact ND1-CB 3.4Å; H182-S381 PolarHBondContact ND1-OG 2.86Å; Y379-S381 PolarHBondContact O-N 3.05Å; S381-Q385 PolarHBondContact O-NE2 2.91Å
382	L	97.9	Very high	97.6	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-73.7	-41.8	173.4	177.4	57.4	0	0	0	110.5	P183 A346 W349 V353 M375 Y379 A384 Q385 I386	P183-L382 HydrophobicContact CG-CB 3.88Å; P183-L382 HydrophobicContact CG-CD2 4.02Å; P183-L382 HydrophobicContact CG-CG 4.46Å; A346-L382 HydrophobicContact CB-CD2 4.3Å; W349-L382 HydrophobicContact CB-CD2 4.14Å; V353-L382 HydrophobicContact CG2-CD1 4.39Å; M375-L382 HydrophobicContact SD-CD2 4.11Å; Y379-L382 WeakPolarHBondContact O-CA 3.32Å; Y379-L382 WeakPolarHBondContact O-CB 3.22Å; Y379-L382 PolarHBondContact O-N 3.3Å; L382-A384 VanDerWaalsContact C-N 3.28Å; L382-A384 PolarHBondContact O-N 3.05Å; L382-Q385 WeakPolarHBondContact O-CB 3.26Å; L382-Q385 PolarHBondContact O-N 3.46Å; L382-I386 HydrophobicContact CD1-CD1 4.47Å; L382-I386 HydrophobicContact CD1-CG1 4.44Å; L382-I386 HydrophobicContact CG-CD1 4.02Å; L382-I386 HydrophobicContact CG-CG1 4.47Å; L382-I386 WeakPolarHBondContact O-CG1 3.18Å; L382-I386 PolarHBondContact O-N 3.06Å
383	F	98.4	Very high	97.5	Very high	16 Å²	16	55.7 Å²	55.7	7%	0.07	28%	0.284	C	S	.	.	H	α-helix	trans	-58.5	-39.8	176.1	-175.8	-103	0	0	0	112.6	M375 E376 Y379 P380 Q385 I386 R387 Y425 A429 F430	M375-F383 HydrophobicContact CB-CB 4.35Å; M375-F383 HydrophobicContact CB-CD2 4.15Å; E376-F383 HydrophobicContact CB-CD1 3.88Å; E376-F383 HydrophobicContact CB-CD2 3.8Å; E376-F383 HydrophobicContact CB-CE1 3.93Å; E376-F383 HydrophobicContact CB-CE2 3.85Å; E376-F383 HydrophobicContact CB-CG 3.8Å; E376-F383 HydrophobicContact CB-CZ 3.9Å; E376-F383 HydrophobicContact CG-CD1 3.82Å; E376-F383 HydrophobicContact CG-CE1 3.68Å; E376-F383 HydrophobicContact CG-CE2 4.47Å; E376-F383 HydrophobicContact CG-CG 4.26Å; E376-F383 HydrophobicContact CG-CZ 4.02Å; Y379-F383 PolarHBondContact O-N 2.67Å; P380-F383 PolarHBondContact O-N 2.85Å; F383-Q385 VanDerWaalsContact C-N 3.3Å; F383-Q385 PolarHBondContact O-N 2.8Å; F383-I386 PolarHBondContact O-N 3.03Å; F383-R387 WeakPolarHBondContact O-CB 3.33Å; F383-R387 PolarHBondContact O-N 3.08Å; F383-Y425 VanDerWaalsContact CE2-OH 3.25Å; F383-Y425 WeakPolarHBondContact CE2-OH 3.35Å; F383-Y425 WeakPolarHBondContact CZ-OH 3.48Å; F383-A429 HydrophobicContact CZ-CB 4.05Å; F383-F430 HydrophobicContact CE2-CE1 4.26Å; F383-F430 AromaticContact CE2-CZ 3.76Å; F383-F430 HydrophobicContact CE2-CZ 3.76Å; F383-F430 HydrophobicContact CZ-CE1 4.24Å; F383-F430 HydrophobicContact CZ-CZ 4Å
384	A	98.2	Very high	97.4	Very high	57 Å²	57	57.1 Å²	57.1	47%	0.471	29%	0.286	S	S	.	.	H	α-helix	trans	-59	-41	173.8	0	0	0	0	0	112.4	P380 L382 R387 Q388	P380-A384 PolarHBondContact O-N 2.82Å; L382-A384 VanDerWaalsContact C-N 3.28Å; L382-A384 PolarHBondContact O-N 3.05Å; A384-R387 PolarHBondContact O-N 2.84Å; A384-Q388 PolarHBondContact O-N 2.87Å
385	Q	97.7	Very high	97.3	Very high	69 Å²	69	56 Å²	56	32%	0.322	28%	0.282	S	S	.	.	H	α-helix	trans	-68	-44	175.6	-63.3	172.3	51.8	0	0	111.6	V353 S381 L382 F383 R387 Q388 K389	V353-Q385 HydrophobicContact CG1-CB 3.88Å; S381-Q385 PolarHBondContact O-NE2 2.91Å; L382-Q385 WeakPolarHBondContact O-CB 3.26Å; L382-Q385 PolarHBondContact O-N 3.46Å; F383-Q385 VanDerWaalsContact C-N 3.3Å; F383-Q385 PolarHBondContact O-N 2.8Å; Q385-R387 VanDerWaalsContact C-N 3.32Å; Q385-R387 PolarHBondContact O-N 2.82Å; Q385-Q388 WeakPolarHBondContact O-CB 3.14Å; Q385-Q388 PolarHBondContact O-N 2.97Å; Q385-Q388 VanDerWaalsContact O-N 3.16Å; Q385-K389 WeakPolarHBondContact O-CG 3.26Å; Q385-K389 PolarHBondContact O-N 2.86Å
386	I	98.1	Very high	97.3	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-56.2	-49.7	174.8	-66.6	164.5	0	0	0	109.6	W349 V353 L372 M375 L382 F383 Q388 K389 V390 F395	W349-I386 HydrophobicContact CB-CD1 3.89Å; W349-I386 HydrophobicContact CB-CG1 4.49Å; W349-I386 HydrophobicContact CD2-CD1 4.09Å; W349-I386 HydrophobicContact CE3-CD1 3.58Å; W349-I386 HydrophobicContact CE3-CG1 4.07Å; W349-I386 HydrophobicContact CE3-CG2 4.28Å; W349-I386 HydrophobicContact CG-CD1 4.17Å; W349-I386 HydrophobicContact CZ3-CD1 4.28Å; W349-I386 HydrophobicContact CZ3-CG2 4.18Å; V353-I386 HydrophobicContact CG2-CG1 4.03Å; L372-I386 HydrophobicContact CD2-CD1 4.35Å; L372-I386 HydrophobicContact CD2-CG2 3.89Å; M375-I386 HydrophobicContact CB-CD1 4.31Å; M375-I386 HydrophobicContact CG-CD1 4.23Å; L382-I386 HydrophobicContact CD1-CD1 4.47Å; L382-I386 HydrophobicContact CD1-CG1 4.44Å; L382-I386 HydrophobicContact CG-CD1 4.02Å; L382-I386 HydrophobicContact CG-CG1 4.47Å; L382-I386 WeakPolarHBondContact O-CG1 3.18Å; L382-I386 PolarHBondContact O-N 3.06Å; F383-I386 PolarHBondContact O-N 3.03Å; I386-Q388 VanDerWaalsContact C-N 3.26Å; I386-Q388 PolarHBondContact O-N 2.66Å; I386-K389 CarbonylContact O-C 3.57Å; I386-K389 PolarHBondContact O-N 3.14Å; I386-V390 HydrophobicContact CG2-CG2 4.23Å; I386-V390 WeakPolarHBondContact O-CG2 3.26Å; I386-V390 PolarHBondContact O-N 2.77Å; I386-F395 HydrophobicContact CG2-CD1 4.34Å; I386-F395 HydrophobicContact CG2-CD2 4.42Å; I386-F395 HydrophobicContact CG2-CE1 4.44Å; I386-F395 HydrophobicContact CG2-CE2 4.48Å; I386-F395 HydrophobicContact CG2-CG 4.38Å
387	R	98.1	Very high	97.3	Very high	138 Å²	138	53.2 Å²	53.2	52%	0.521	27%	0.269	S	S	.	.	H	α-helix	trans	-56.5	-41.4	178.2	-168.3	178.8	-170.9	-162.6	-1.3	111.9	F383 A384 Q385 V390 H391 A429 F430	F383-R387 WeakPolarHBondContact O-CB 3.33Å; F383-R387 PolarHBondContact O-N 3.08Å; A384-R387 PolarHBondContact O-N 2.84Å; Q385-R387 VanDerWaalsContact C-N 3.32Å; Q385-R387 PolarHBondContact O-N 2.82Å; R387-V390 PolarHBondContact O-N 2.84Å; R387-H391 PolarHBondContact O-N 2.82Å; R387-A429 PolarHBondContact NE-O 3.49Å; R387-A429 PolarHBondContact NH2-O 2.87Å; R387-F430 HydrophobicContact CB-CE1 4.23Å; R387-F430 HydrophobicContact CG-CD1 4.14Å; R387-F430 HydrophobicContact CG-CE1 4.29Å
388	Q	97.5	Very high	97.3	Very high	100 Å²	100	46.9 Å²	46.9	47%	0.467	24%	0.24	S	C	.	.	H	α-helix	trans	-62.9	-47.3	173.4	-173.6	60.3	52.8	0	0	111.8	A384 Q385 I386 V390 H391 D392	A384-Q388 PolarHBondContact O-N 2.87Å; Q385-Q388 WeakPolarHBondContact O-CB 3.14Å; Q385-Q388 PolarHBondContact O-N 2.97Å; Q385-Q388 VanDerWaalsContact O-N 3.16Å; I386-Q388 VanDerWaalsContact C-N 3.26Å; I386-Q388 PolarHBondContact O-N 2.66Å; Q388-V390 VanDerWaalsContact C-N 3.25Å; Q388-V390 PolarHBondContact O-N 2.95Å; Q388-H391 CarbonylContact O-C 3.58Å; Q388-H391 WeakPolarHBondContact O-CB 3.43Å; Q388-H391 PolarHBondContact O-N 3.4Å; Q388-H391 VanDerWaalsContact O-N 3.1Å; Q388-D392 PolarHBondContact NE2-OD1 2.81Å; Q388-D392 PolarHBondContact O-N 2.86Å
389	K	97.7	Very high	97.3	Very high	26 Å²	26	41.8 Å²	41.8	11%	0.113	22%	0.217	C	C	.	.	H	α-helix	trans	-65.8	-27.4	178.5	-58.9	-57.2	-178.2	179.7	0	113.1	V353 M356 Q385 I386 G393 R394 F395	V353-K389 HydrophobicContact CG1-CG 4.47Å; V353-K389 HydrophobicContact CG2-CG 4.43Å; M356-K389 HydrophobicContact CB-CD 4.39Å; M356-K389 HydrophobicContact SD-CB 3.91Å; M356-K389 HydrophobicContact SD-CD 4.12Å; M356-K389 HydrophobicContact SD-CG 3.88Å; Q385-K389 WeakPolarHBondContact O-CG 3.26Å; Q385-K389 PolarHBondContact O-N 2.86Å; I386-K389 CarbonylContact O-C 3.57Å; I386-K389 PolarHBondContact O-N 3.14Å; K389-G393 PolarHBondContact O-N 3.28Å; K389-R394 PolarHBondContact O-N 3.4Å; K389-R394 VanDerWaalsContact O-N 3.1Å; K389-F395 HydrophobicContact CB-CB 3.69Å; K389-F395 HydrophobicContact CB-CD2 4.44Å; K389-F395 HydrophobicContact CB-CG 4.5Å; K389-F395 PolarHBondContact O-N 2.97Å
390	V	97.6	Very high	97.3	Very high	6 Å²	6	40.8 Å²	40.8	4%	0.036	21%	0.213	C	C	.	.	H	α-helix	trans	-68.6	-43.8	171.2	175.7	0	0	0	0	110.7	I386 R387 Q388 D392 G393 F395 I397 F430	I386-V390 HydrophobicContact CG2-CG2 4.23Å; I386-V390 WeakPolarHBondContact O-CG2 3.26Å; I386-V390 PolarHBondContact O-N 2.77Å; R387-V390 PolarHBondContact O-N 2.84Å; Q388-V390 VanDerWaalsContact C-N 3.25Å; Q388-V390 PolarHBondContact O-N 2.95Å; V390-D392 VanDerWaalsContact C-N 3.33Å; V390-G393 PolarHBondContact O-N 3.24Å; V390-G393 VanDerWaalsContact O-N 3.14Å; V390-F395 VanDerWaalsContact CA-O 3.31Å; V390-F395 WeakPolarHBondContact CA-O 3.45Å; V390-F395 HydrophobicContact CG2-CB 3.81Å; V390-F395 HydrophobicContact CG2-CD1 3.88Å; V390-F395 HydrophobicContact CG2-CG 4.1Å; V390-F395 WeakPolarHBondContact CG2-O 3.2Å; V390-I397 HydrophobicContact CG2-CG2 4.42Å; V390-F430 HydrophobicContact CB-CD1 3.99Å; V390-F430 HydrophobicContact CB-CE1 4.48Å; V390-F430 HydrophobicContact CG1-CB 3.98Å; V390-F430 HydrophobicContact CG1-CD1 3.89Å; V390-F430 HydrophobicContact CG1-CG 4.08Å; V390-F430 HydrophobicContact CG2-CD1 3.94Å; V390-F430 HydrophobicContact CG2-CE1 4Å
391	H	96.5	Very high	97.3	Very high	155 Å²	155	37 Å²	37	72%	0.718	19%	0.189	S	C	*	.	H	α-helix	trans	-63.2	-39	174.4	179.3	-83.4	0	0	0	112	R387 Q388 G393	R387-H391 PolarHBondContact O-N 2.82Å; Q388-H391 CarbonylContact O-C 3.58Å; Q388-H391 WeakPolarHBondContact O-CB 3.43Å; Q388-H391 PolarHBondContact O-N 3.4Å; Q388-H391 VanDerWaalsContact O-N 3.1Å; H391-G393 PolarHBondContact O-N 2.8Å; H391-G393 VanDerWaalsContact O-N 3.15Å
392	D	95.7	Very high	97.4	Very high	69 Å²	69	35.8 Å²	35.8	37%	0.369	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-9	175.2	-61.9	-8.4	0	0	0	113.2	Q388 V390 R394	Q388-D392 PolarHBondContact NE2-OD1 2.81Å; Q388-D392 PolarHBondContact O-N 2.86Å; V390-D392 VanDerWaalsContact C-N 3.33Å; D392-R394 IonicContact OD2-NH2 2.87Å
393	G	95.8	Very high	97.5	Very high	31 Å²	31	35.8 Å²	35.8	32%	0.32	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.5	23.9	-179.9	0	0	0	0	0	114.5	K389 V390 H391 H396	K389-G393 PolarHBondContact O-N 3.28Å; V390-G393 PolarHBondContact O-N 3.24Å; V390-G393 VanDerWaalsContact O-N 3.14Å; H391-G393 PolarHBondContact O-N 2.8Å; H391-G393 VanDerWaalsContact O-N 3.15Å; G393-H396 PolarHBondContact O-CE1 3.46Å; G393-H396 PolarHBondContact O-NE2 3.42Å
394	R	96.2	Very high	97.5	Very high	49 Å²	49	35.2 Å²	35.2	19%	0.185	18%	0.177	C	C	.	.	S	Bend	trans	-111.2	-27.1	178.4	-64.4	-170.3	-67.2	164.3	-3.8	113.2	M356 H363 F364 K389 D392 H396	M356-R394 HydrophobicContact CE-CB 4.29Å; M356-R394 VanDerWaalsContact CE-O 3.31Å; M356-R394 WeakPolarHBondContact CE-O 3.19Å; M356-R394 PolarHBondContact O-NH1 3.38Å; M356-R394 HydrophobicContact SD-CB 4.18Å; H363-R394 WeakPolarHBondContact CA-O 3.38Å; F364-R394 PolarHBondContact N-O 2.95Å; K389-R394 PolarHBondContact O-N 3.4Å; K389-R394 VanDerWaalsContact O-N 3.1Å; D392-R394 IonicContact OD2-NH2 2.87Å; R394-H396 PolarHBondContact O-CD2 3Å; R394-H396 PolarHBondContact O-NE2 3.48Å
395	F	97.7	Very high	97.5	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	110.2	171.1	-155.1	-61.9	0	0	0	109.8	W349 V352 M356 F364 C366 I386 K389 V390	W349-F395 HydrophobicContact CD2-CZ 4.1Å; W349-F395 AromaticContact CE3-CE1 3.8Å; W349-F395 HydrophobicContact CE3-CE1 3.8Å; W349-F395 AromaticContact CE3-CE2 3.53Å; W349-F395 HydrophobicContact CE3-CE2 3.53Å; W349-F395 AromaticContact CE3-CZ 2.98Å; W349-F395 HydrophobicContact CE3-CZ 2.98Å; W349-F395 HydrophobicContact CH2-CE1 4.03Å; W349-F395 AromaticContact CH2-CZ 3.91Å; W349-F395 HydrophobicContact CH2-CZ 3.91Å; W349-F395 HydrophobicContact CZ3-CD1 4.35Å; W349-F395 AromaticContact CZ3-CE1 3.19Å; W349-F395 HydrophobicContact CZ3-CE1 3.19Å; W349-F395 AromaticContact CZ3-CE2 3.86Å; W349-F395 HydrophobicContact CZ3-CE2 3.86Å; W349-F395 AromaticContact CZ3-CZ 2.88Å; W349-F395 HydrophobicContact CZ3-CZ 2.88Å; V352-F395 HydrophobicContact CG1-CE2 4.19Å; M356-F395 HydrophobicContact CE-CB 4.22Å; M356-F395 HydrophobicContact CE-CD2 3.95Å; M356-F395 HydrophobicContact CE-CG 4.45Å; M356-F395 HydrophobicContact SD-CD2 4.39Å; F364-F395 HydrophobicContact CD1-CD1 4.28Å; F364-F395 HydrophobicContact CD1-CD2 4.03Å; F364-F395 AromaticContact CD1-CE1 3.66Å; F364-F395 HydrophobicContact CD1-CE1 3.66Å; F364-F395 AromaticContact CD1-CE2 3.4Å; F364-F395 HydrophobicContact CD1-CE2 3.4Å; F364-F395 HydrophobicContact CD1-CG 4.4Å; F364-F395 AromaticContact CD1-CZ 3.13Å; F364-F395 HydrophobicContact CD1-CZ 3.13Å; F364-F395 AromaticContact CE1-CE1 3.87Å; F364-F395 HydrophobicContact CE1-CE1 3.87Å; F364-F395 AromaticContact CE1-CE2 3.73Å; F364-F395 HydrophobicContact CE1-CE2 3.73Å; F364-F395 AromaticContact CE1-CZ 3.16Å; F364-F395 HydrophobicContact CE1-CZ 3.16Å; F364-F395 HydrophobicContact CG-CE2 4.34Å; F364-F395 HydrophobicContact CG-CZ 4.38Å; F364-F395 HydrophobicContact CZ-CZ 4.42Å; C366-F395 HydrophobicContact CB-CE1 3.76Å; C366-F395 HydrophobicContact CB-CZ 4.14Å; I386-F395 HydrophobicContact CG2-CD1 4.34Å; I386-F395 HydrophobicContact CG2-CD2 4.42Å; I386-F395 HydrophobicContact CG2-CE1 4.44Å; I386-F395 HydrophobicContact CG2-CE2 4.48Å; I386-F395 HydrophobicContact CG2-CG 4.38Å; K389-F395 HydrophobicContact CB-CB 3.69Å; K389-F395 HydrophobicContact CB-CD2 4.44Å; K389-F395 HydrophobicContact CB-CG 4.5Å; K389-F395 PolarHBondContact O-N 2.97Å; V390-F395 VanDerWaalsContact CA-O 3.31Å; V390-F395 WeakPolarHBondContact CA-O 3.45Å; V390-F395 HydrophobicContact CG2-CB 3.81Å; V390-F395 HydrophobicContact CG2-CD1 3.88Å; V390-F395 HydrophobicContact CG2-CG 4.1Å; V390-F395 WeakPolarHBondContact CG2-O 3.2Å
396	H	97.5	Very high	97.5	Very high	14 Å²	14	29.4 Å²	29.4	7%	0.065	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	115.8	-175.2	-55.3	-72.5	0	0	0	109.6	H363 F364 A365 C366 G393 R394 V398 P562	H363-H396 AromaticContact CG-NE2 3.7Å; H363-H396 AromaticContact ND1-CE1 3.67Å; H363-H396 AromaticContact ND1-NE2 2.97Å; H363-H396 PolarHBondContact ND1-NE2 3.42Å; F364-H396 PolarHBondContact O-CD2 2.94Å; F364-H396 PolarHBondContact O-N 2.97Å; A365-H396 CarbonylContact C-O 3.58Å; A365-H396 VanDerWaalsContact CA-O 3.28Å; A365-H396 WeakPolarHBondContact CA-O 3.39Å; A365-H396 HydrophobicContact CB-CB 4.48Å; C366-H396 PolarHBondContact N-O 3.17Å; G393-H396 PolarHBondContact O-CE1 3.46Å; G393-H396 PolarHBondContact O-NE2 3.42Å; R394-H396 PolarHBondContact O-CD2 3Å; R394-H396 PolarHBondContact O-NE2 3.48Å; H396-V398 HydrophobicContact CB-CG1 4.34Å; H396-P562 HydrophobicContact CB-CG 4.43Å
397	I	97.7	Very high	97.5	Very high	9 Å²	9	29.4 Å²	29.4	5%	0.046	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	132.2	161.1	57.3	177.3	0	0	0	108.1	C366 L372 V390 F426 F430 K432	C366-I397 WeakPolarHBondContact O-CA 3.35Å; L372-I397 HydrophobicContact CD1-CG2 3.95Å; V390-I397 HydrophobicContact CG2-CG2 4.42Å; I397-F426 HydrophobicContact CB-CD1 4.25Å; I397-F426 HydrophobicContact CB-CE1 4.12Å; I397-F426 HydrophobicContact CB-CE2 4.43Å; I397-F426 HydrophobicContact CB-CG 4.49Å; I397-F426 HydrophobicContact CB-CZ 4.2Å; I397-F426 HydrophobicContact CD1-CB 3.75Å; I397-F426 HydrophobicContact CD1-CD1 3.95Å; I397-F426 HydrophobicContact CD1-CD2 4.29Å; I397-F426 HydrophobicContact CD1-CG 3.75Å; I397-F426 HydrophobicContact CG2-CD1 4.15Å; I397-F426 HydrophobicContact CG2-CE1 3.98Å; I397-F426 HydrophobicContact CG2-CZ 4.47Å; I397-F430 HydrophobicContact CD1-CB 3.95Å; I397-F430 HydrophobicContact CD1-CD2 3.83Å; I397-F430 HydrophobicContact CD1-CG 4.18Å; I397-F430 HydrophobicContact CG2-CD2 3.92Å; I397-F430 HydrophobicContact CG2-CE2 3.97Å; I397-F430 HydrophobicContact CG2-CG 4.48Å; I397-K432 HydrophobicContact CD1-CG 3.94Å
398	V	97.4	Very high	97.5	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	174.8	180	-59.6	0	0	0	0	109.8	A365 C366 S367 H396 G400 E436 W438 P562	A365-V398 HydrophobicContact CB-CG1 3.94Å; A365-V398 HydrophobicContact CB-CG2 4.11Å; C366-V398 WeakPolarHBondContact O-CG2 3.08Å; C366-V398 PolarHBondContact O-N 3.01Å; S367-V398 WeakPolarHBondContact CA-O 3.43Å; H396-V398 HydrophobicContact CB-CG1 4.34Å; V398-G400 PolarHBondContact O-N 2.57Å; V398-E436 HydrophobicContact CB-CG 4.39Å; V398-W438 HydrophobicContact CB-CB 4.3Å; V398-W438 HydrophobicContact CB-CD2 3.98Å; V398-W438 HydrophobicContact CB-CE3 3.86Å; V398-W438 HydrophobicContact CB-CG 4.22Å; V398-W438 HydrophobicContact CB-CZ3 4.45Å; V398-W438 HydrophobicContact CG1-CE3 4.17Å; V398-W438 HydrophobicContact CG1-CZ3 4.26Å; V398-W438 HydrophobicContact CG2-CB 4.01Å; V398-W438 HydrophobicContact CG2-CD2 3.56Å; V398-W438 HydrophobicContact CG2-CE3 3.97Å; V398-W438 HydrophobicContact CG2-CG 3.61Å; V398-P562 HydrophobicContact CG1-CG 3.61Å
399	G	96.4	Very high	97.6	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	82.9	-40	171.5	0	0	0	0	0	115	S401 E436 W438	G399-S401 PolarHBondContact O-N 3.29Å; G399-E436 CarbonylContact C-O 3.39Å; G399-E436 WeakPolarHBondContact CA-O 3.49Å; G399-E436 PolarHBondContact N-O 2.91Å; G399-W438 VanDerWaalsContact CA-CB 3.43Å
400	G	96.9	Very high	97.6	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	60.9	25.6	178	0	0	0	0	0	113.4	V398 H419	V398-G400 PolarHBondContact O-N 2.57Å; G400-H419 VanDerWaalsContact O-CA 3.27Å; G400-H419 WeakPolarHBondContact O-CA 3.36Å; G400-H419 PolarHBondContact O-ND1 2.8Å
401	S	98.4	Very high	97.7	Very high	3 Å²	3	17.6 Å²	17.6	2%	0.021	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	158.7	-177.9	63.5	0	0	0	0	112.1	A369 G399 V403 Q418	A369-S401 WeakPolarHBondContact CB-O 3.19Å; A369-S401 PolarHBondContact N-O 2.86Å; G399-S401 PolarHBondContact O-N 3.29Å; S401-V403 VanDerWaalsContact CB-O 3.27Å; S401-V403 WeakPolarHBondContact CB-O 3.36Å; S401-V403 PolarHBondContact OG-O 2.82Å; S401-Q418 CarbonylContact C-O 3.45Å; S401-Q418 WeakPolarHBondContact CA-O 3.25Å
402	W	98.8	Very high	97.8	Very high	9 Å²	9	10.5 Å²	10.5	3%	0.034	6%	0.062	C	C	.	.	S	Bend	trans	-64.7	-46.8	175.2	-170.9	-112.1	0	0	0	110.8	A369 L370 Q418 Y425 K637 L640	A369-W402 HydrophobicContact CB-CE3 3.93Å; A369-W402 HydrophobicContact CB-CZ3 4.27Å; A369-W402 PolarHBondContact N-O 3.27Å; L370-W402 HydrophobicContact CB-CD2 4.28Å; L370-W402 HydrophobicContact CB-CZ2 4.22Å; L370-W402 VanDerWaalsContact CB-O 3.28Å; L370-W402 WeakPolarHBondContact CB-O 3.48Å; L370-W402 HydrophobicContact CD1-CH2 4.47Å; L370-W402 HydrophobicContact CD1-CZ2 3.55Å; L370-W402 HydrophobicContact CG-CZ2 4.48Å; L370-W402 PolarHBondContact N-O 2.65Å; W402-Q418 PolarHBondContact N-O 3.05Å; W402-Y425 HydrophobicContact CZ3-CD2 4.49Å; W402-Y425 HydrophobicContact CZ3-CG 4.3Å; W402-K637 HydrophobicContact CD2-CG 4.21Å; W402-K637 HydrophobicContact CH2-CD 3.89Å; W402-K637 HydrophobicContact CH2-CG 4.39Å; W402-K637 HydrophobicContact CZ2-CB 4.15Å; W402-K637 HydrophobicContact CZ2-CD 3.66Å; W402-K637 HydrophobicContact CZ2-CG 3.8Å; W402-K637 HydrophobicContact CZ3-CD 4.45Å; W402-L640 HydrophobicContact CB-CD1 4.44Å
403	V	98.8	Very high	97.9	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	5%	0.046	C	C	.	.	S	Bend	trans	-135.4	168	168.8	-58.8	0	0	0	0	111.3	L370 S401 S405 Q418 L640 F644	L370-V403 HydrophobicContact CB-CG1 3.92Å; L370-V403 HydrophobicContact CD2-CG1 3.57Å; L370-V403 HydrophobicContact CG-CG1 4.42Å; S401-V403 VanDerWaalsContact CB-O 3.27Å; S401-V403 WeakPolarHBondContact CB-O 3.36Å; S401-V403 PolarHBondContact OG-O 2.82Å; V403-S405 VanDerWaalsContact C-N 3.33Å; V403-S405 PolarHBondContact O-N 2.87Å; V403-Q418 VanDerWaalsContact N-OE1 3.12Å; V403-L640 WeakPolarHBondContact CG2-O 3.24Å; V403-F644 HydrophobicContact CB-CD2 4.06Å; V403-F644 HydrophobicContact CG2-CB 4.36Å; V403-F644 HydrophobicContact CG2-CD2 4.44Å
404	E	98.6	Very high	98	Very high	4 Å²	4	6.1 Å²	6.1	2%	0.019	3%	0.031	C	C	.	.			trans	-76.4	87.1	166.8	-69.9	178.8	175.8	0	0	108.6	H329 S367 Q368 L439 F644 H645	H329-E404 IonicContact CE1-OE2 3.86Å; H329-E404 PolarHBondContact CE1-OE2 3.37Å; H329-E404 IonicContact ND1-OE2 2.82Å; H329-E404 PolarHBondContact ND1-OE2 2.95Å; S367-E404 WeakPolarHBondContact CB-OE1 3.3Å; S367-E404 WeakPolarHBondContact OG-CG 3.16Å; S367-E404 PolarHBondContact OG-OE1 3.32Å; Q368-E404 HydrophobicContact CG-CG 4.03Å; Q368-E404 PolarHBondContact NE2-OE1 2.76Å; Q368-E404 PolarHBondContact NE2-OE2 2.96Å; E404-L439 HydrophobicContact CB-CD2 3.98Å; E404-L439 HydrophobicContact CG-CD2 4.3Å; E404-F644 HydrophobicContact CB-CE2 4.01Å; E404-F644 WeakPolarHBondContact O-CD2 3.28Å; E404-H645 PolarHBondContact O-N 2.69Å; E404-H645 VanDerWaalsContact O-N 3.14Å; E404-H645 PolarHBondContact O-ND1 2.85Å; E404-H645 IonicContact OE2-CE1 3Å
405	S	98.5	Very high	98.2	Very high	4 Å²	4	3.9 Å²	3.9	3%	0.028	2%	0.022	C	C	.	.	B	Isolated β-bridge	trans	-75.8	163	-172	66.1	0	0	0	0	113.2	V403 T442 Q643	V403-S405 VanDerWaalsContact C-N 3.33Å; V403-S405 PolarHBondContact O-N 2.87Å; S405-T442 PolarHBondContact O-OG1 3.25Å; S405-Q643 CarbonylContact C-O 3.5Å; S405-Q643 WeakPolarHBondContact CA-O 3.39Å; S405-Q643 WeakPolarHBondContact CB-O 3.31Å
406	D	98.6	Very high	98.2	Very high	0 Å²	0	3.9 Å²	3.9	0%	0	2%	0.022	C	C	.	.			trans	-59.8	146.7	160.4	-175.7	66.4	0	0	0	111	C408 I409 P410 Q643 P649	D406-C408 PolarHBondContact OD2-N 2.98Å; D406-I409 WeakPolarHBondContact OD2-CB 3.32Å; D406-I409 WeakPolarHBondContact OD2-CG1 3.42Å; D406-I409 PolarHBondContact OD2-N 3.07Å; D406-P410 HydrophobicContact CB-CG 4.42Å; D406-P410 WeakPolarHBondContact O-CD 3.39Å; D406-P410 WeakPolarHBondContact O-CG 3.44Å; D406-Q643 PolarHBondContact N-O 3.44Å; D406-P649 HydrophobicContact CB-CG 3.82Å
407	G	97.6	Very high	98.3	Very high	0 Å²	0	3.2 Å²	3.2	0%	0	2%	0.02	C	C	.	.	S	Bend	trans	-98	-2.5	-172.9	0	0	0	0	0	114.5	G444 S446	G407-G444 WeakPolarHBondContact CA-O 3.31Å; G407-S446 VanDerWaalsContact O-CB 3.28Å; G407-S446 WeakPolarHBondContact O-CB 3.36Å; G407-S446 PolarHBondContact O-N 2.8Å
408	C	97.9	Very high	98.3	Very high	16 Å²	16	2.8 Å²	2.8	11%	0.108	2%	0.017	C	C	.	.	S	Bend	trans	-128.1	-39.1	-169.4	-71.3	0	0	0	0	113.9	D406 G444 Q873 C895 Q897	D406-C408 PolarHBondContact OD2-N 2.98Å; C408-G444 VanDerWaalsContact SG-C 3.51Å; C408-Q873 VanDerWaalsContact C-NE2 3.31Å; C408-Q873 PolarHBondContact O-NE2 3.38Å; C408-C895 HydrophobicContact CB-CB 4.07Å; C408-Q897 PolarHBondContact O-NE2 3.41Å
409	I	98.7	Very high	98.4	Very high	0 Å²	0	3.1 Å²	3.1	0%	0	2%	0.019	C	C	.	.	S	Bend	trans	-83.5	-43.9	-173.7	-58.1	174.3	0	0	0	113.3	D406 K599 L648 P649 Q897 Y917	D406-I409 WeakPolarHBondContact OD2-CB 3.32Å; D406-I409 WeakPolarHBondContact OD2-CG1 3.42Å; D406-I409 PolarHBondContact OD2-N 3.07Å; I409-K599 HydrophobicContact CG2-CG 4.39Å; I409-L648 HydrophobicContact CB-CD2 3.71Å; I409-L648 HydrophobicContact CB-CG 4.19Å; I409-L648 HydrophobicContact CD1-CG 4.46Å; I409-L648 HydrophobicContact CG2-CD1 4.04Å; I409-L648 HydrophobicContact CG2-CD2 3.57Å; I409-L648 HydrophobicContact CG2-CG 3.79Å; I409-P649 HydrophobicContact CD1-CG 4.29Å; I409-Q897 PolarHBondContact O-NE2 2.85Å; I409-Y917 HydrophobicContact CB-CD1 4.39Å; I409-Y917 HydrophobicContact CB-CE1 4.38Å; I409-Y917 HydrophobicContact CG2-CD1 3.95Å; I409-Y917 HydrophobicContact CG2-CD2 3.96Å; I409-Y917 HydrophobicContact CG2-CE1 3.72Å; I409-Y917 HydrophobicContact CG2-CE2 3.74Å; I409-Y917 HydrophobicContact CG2-CG 4.05Å; I409-Y917 WeakPolarHBondContact O-CE1 3.24Å; I409-Y917 PolarHBondContact O-OH 3.14Å
410	P	98.8	Very high	98.5	Very high	0 Å²	0	3.1 Å²	3.1	0%	0	2%	0.019	C	C	.	.	S	Bend	trans	-58.2	148.1	-180	-24.2	34.7	0	0	0	112.1	D406 L415 Q643 L648 Q873 Q897	D406-P410 HydrophobicContact CB-CG 4.42Å; D406-P410 WeakPolarHBondContact O-CD 3.39Å; D406-P410 WeakPolarHBondContact O-CG 3.44Å; P410-L415 HydrophobicContact CB-CD2 4Å; P410-L415 HydrophobicContact CB-CG 4.2Å; P410-L415 HydrophobicContact CG-CD2 4.21Å; P410-Q643 HydrophobicContact CG-CB 4.22Å; P410-Q643 HydrophobicContact CG-CG 4.32Å; P410-L648 HydrophobicContact CG-CD2 3.69Å; P410-Q873 WeakPolarHBondContact O-CG 3.2Å; P410-Q873 PolarHBondContact O-NE2 2.54Å; P410-Q897 PolarHBondContact O-NE2 2.76Å
411	S	98.6	Very high	98.5	Very high	6 Å²	6	3.7 Å²	3.7	4%	0.042	2%	0.021	C	C	.	.			trans	-62.1	161.6	172.3	74.7	0	0	0	0	111.7	E413 S414 L415 E606	S411-E413 VanDerWaalsContact C-N 3.25Å; S411-E413 PolarHBondContact O-N 2.68Å; S411-S414 WeakPolarHBondContact O-CB 3.38Å; S411-S414 PolarHBondContact O-N 3.21Å; S411-S414 VanDerWaalsContact O-N 3.16Å; S411-S414 WeakPolarHBondContact OG-CB 3.37Å; S411-S414 PolarHBondContact OG-N 3.15Å; S411-S414 PolarHBondContact OG-OG 3.5Å; S411-L415 PolarHBondContact O-N 3.26Å; S411-E606 PolarHBondContact N-OE1 2.91Å; S411-E606 PolarHBondContact OG-OE1 3.14Å
412	G	98.3	Very high	98.5	Very high	6 Å²	6	3.6 Å²	3.6	6%	0.062	2%	0.02	C	C	.	.	H	α-helix	trans	-57.8	-40.7	175.2	0	0	0	0	0	112.3	L415 I416 F874	G412-L415 PolarHBondContact O-N 2.98Å; G412-I416 PolarHBondContact O-N 3.12Å; G412-I416 VanDerWaalsContact O-N 3.08Å; G412-F874 VanDerWaalsContact O-CE2 3.29Å; G412-F874 WeakPolarHBondContact O-CE2 3.38Å
413	E	98.5	Very high	98.5	Very high	8 Å²	8	3.1 Å²	3.1	4%	0.037	2%	0.019	C	C	.	.	H	α-helix	trans	-66.3	-40.8	176.4	-176.7	57.8	-169.7	0	0	111.8	S411 L415 I416 R417 W636 E1011 V1012 R1025	S411-E413 VanDerWaalsContact C-N 3.25Å; S411-E413 PolarHBondContact O-N 2.68Å; E413-L415 VanDerWaalsContact C-N 3.31Å; E413-L415 PolarHBondContact O-N 2.99Å; E413-I416 CarbonylContact O-C 3.54Å; E413-I416 WeakPolarHBondContact O-CB 3.42Å; E413-I416 PolarHBondContact O-N 3.01Å; E413-I416 VanDerWaalsContact O-N 3.12Å; E413-R417 HydrophobicContact CG-CG 4.28Å; E413-R417 VanDerWaalsContact O-CG 3.26Å; E413-R417 WeakPolarHBondContact O-CG 3.13Å; E413-R417 PolarHBondContact O-N 3.1Å; E413-R417 IonicContact OE1-CZ 2.86Å; E413-R417 VanDerWaalsContact OE1-CZ 3.28Å; E413-R417 IonicContact OE1-NE 2.69Å; E413-R417 PolarHBondContact OE1-NE 3.12Å; E413-R417 IonicContact OE1-NH2 2.7Å; E413-R417 PolarHBondContact OE1-NH2 3.17Å; E413-W636 HydrophobicContact CG-CH2 4.47Å; E413-E1011 HydrophobicContact CB-CG 4.04Å; E413-V1012 HydrophobicContact CG-CG2 3.73Å; E413-V1012 WeakPolarHBondContact OE1-CG2 3.44Å; E413-V1012 WeakPolarHBondContact OE2-CG2 3.43Å; E413-R1025 IonicContact OE1-NE 3.88Å; E413-R1025 WeakPolarHBondContact OE2-CD 3.39Å; E413-R1025 IonicContact OE2-CZ 3.15Å; E413-R1025 IonicContact OE2-NE 2.65Å; E413-R1025 PolarHBondContact OE2-NE 3.49Å
414	S	98.8	Very high	98.5	Very high	0 Å²	0	5.4 Å²	5.4	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-56.5	-44.1	173.9	-75.7	0	0	0	0	112.2	S411 I416 R417 Q418 E606 L640 Q643	S411-S414 WeakPolarHBondContact O-CB 3.38Å; S411-S414 PolarHBondContact O-N 3.21Å; S411-S414 VanDerWaalsContact O-N 3.16Å; S411-S414 WeakPolarHBondContact OG-CB 3.37Å; S411-S414 PolarHBondContact OG-N 3.15Å; S411-S414 PolarHBondContact OG-OG 3.5Å; S414-I416 VanDerWaalsContact C-N 3.33Å; S414-I416 PolarHBondContact O-N 3.04Å; S414-R417 CarbonylContact O-C 2.97Å; S414-R417 PolarHBondContact O-N 2.98Å; S414-R417 VanDerWaalsContact O-N 3.09Å; S414-Q418 WeakPolarHBondContact O-CG 3.38Å; S414-Q418 PolarHBondContact O-N 3.01Å; S414-E606 WeakPolarHBondContact CB-OE1 3.44Å; S414-E606 WeakPolarHBondContact OG-CG 3.46Å; S414-E606 PolarHBondContact OG-OE1 3.01Å; S414-L640 WeakPolarHBondContact O-CD2 3.39Å; S414-Q643 VanDerWaalsContact CB-NE2 3.32Å; S414-Q643 PolarHBondContact OG-NE2 2.71Å
415	L	98.7	Very high	98.5	Very high	2 Å²	2	6.3 Å²	6.3	1%	0.01	3%	0.032	C	C	.	.	H	α-helix	trans	-63.3	-39.2	176.3	-65.3	176.4	0	0	0	112.1	P410 S411 G412 E413 R417 Q418 H419 L449 I452 Q873	P410-L415 HydrophobicContact CB-CD2 4Å; P410-L415 HydrophobicContact CB-CG 4.2Å; P410-L415 HydrophobicContact CG-CD2 4.21Å; S411-L415 PolarHBondContact O-N 3.26Å; G412-L415 PolarHBondContact O-N 2.98Å; E413-L415 VanDerWaalsContact C-N 3.31Å; E413-L415 PolarHBondContact O-N 2.99Å; L415-R417 VanDerWaalsContact C-N 3.33Å; L415-R417 PolarHBondContact O-N 3.24Å; L415-Q418 WeakPolarHBondContact O-CB 3.49Å; L415-Q418 PolarHBondContact O-N 3.32Å; L415-H419 PolarHBondContact O-CD2 3.38Å; L415-H419 PolarHBondContact O-N 2.88Å; L415-L449 HydrophobicContact CD1-CD2 3.74Å; L415-I452 HydrophobicContact CB-CD1 4.3Å; L415-I452 HydrophobicContact CB-CG2 4.29Å; L415-I452 HydrophobicContact CD1-CD1 3.93Å; L415-Q873 HydrophobicContact CD1-CB 4.43Å; L415-Q873 HydrophobicContact CD1-CG 3.75Å
416	I	98.7	Very high	98.4	Very high	0 Å²	0	6.1 Å²	6.1	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-63.4	-41.2	171.9	-73	175.3	0	0	0	111	G412 E413 S414 H419 L420 I452 F874 A1053 I1078	G412-I416 PolarHBondContact O-N 3.12Å; G412-I416 VanDerWaalsContact O-N 3.08Å; E413-I416 CarbonylContact O-C 3.54Å; E413-I416 WeakPolarHBondContact O-CB 3.42Å; E413-I416 PolarHBondContact O-N 3.01Å; E413-I416 VanDerWaalsContact O-N 3.12Å; S414-I416 VanDerWaalsContact C-N 3.33Å; S414-I416 PolarHBondContact O-N 3.04Å; I416-H419 CarbonylContact O-C 3.55Å; I416-H419 PolarHBondContact O-N 3.05Å; I416-H419 VanDerWaalsContact O-N 3.13Å; I416-L420 WeakPolarHBondContact O-CB 3.44Å; I416-L420 PolarHBondContact O-N 2.92Å; I416-I452 HydrophobicContact CG1-CG2 4Å; I416-F874 HydrophobicContact CD1-CE2 3.55Å; I416-F874 HydrophobicContact CD1-CZ 3.75Å; I416-F874 HydrophobicContact CG1-CE2 4.22Å; I416-A1053 HydrophobicContact CD1-CB 4.4Å; I416-A1053 HydrophobicContact CG1-CB 4.46Å; I416-A1053 HydrophobicContact CG2-CB 3.81Å; I416-I1078 HydrophobicContact CD1-CG2 4.35Å
417	R	98.7	Very high	98.4	Very high	1 Å²	1	9.4 Å²	9.4	0%	0.004	5%	0.048	C	C	.	.	H	α-helix	trans	-67.2	-34.3	178.7	-66	-61.6	176.7	102.6	22.4	113.1	E413 S414 L415 H419 L420 Y421 E613 W636 L640	E413-R417 HydrophobicContact CG-CG 4.28Å; E413-R417 VanDerWaalsContact O-CG 3.26Å; E413-R417 WeakPolarHBondContact O-CG 3.13Å; E413-R417 PolarHBondContact O-N 3.1Å; E413-R417 IonicContact OE1-CZ 2.86Å; E413-R417 VanDerWaalsContact OE1-CZ 3.28Å; E413-R417 IonicContact OE1-NE 2.69Å; E413-R417 PolarHBondContact OE1-NE 3.12Å; E413-R417 IonicContact OE1-NH2 2.7Å; E413-R417 PolarHBondContact OE1-NH2 3.17Å; S414-R417 CarbonylContact O-C 2.97Å; S414-R417 PolarHBondContact O-N 2.98Å; S414-R417 VanDerWaalsContact O-N 3.09Å; L415-R417 VanDerWaalsContact C-N 3.33Å; L415-R417 PolarHBondContact O-N 3.24Å; R417-H419 PolarHBondContact O-N 3.12Å; R417-L420 PolarHBondContact O-N 2.68Å; R417-Y421 HydrophobicContact CB-CD2 4.29Å; R417-Y421 HydrophobicContact CB-CE2 4.15Å; R417-Y421 PolarHBondContact NH1-OH 2.86Å; R417-Y421 VanDerWaalsContact O-CD2 3.24Å; R417-Y421 WeakPolarHBondContact O-CD2 3.5Å; R417-Y421 PolarHBondContact O-N 2.68Å; R417-E613 IonicContact CZ-OE1 3.58Å; R417-E613 IonicContact CZ-OE2 3.54Å; R417-E613 IonicContact NH1-OE1 3.78Å; R417-E613 PolarHBondContact NH1-OE1 2.97Å; R417-E613 IonicContact NH1-OE2 3.35Å; R417-E613 IonicContact NH2-OE1 2.75Å; R417-E613 PolarHBondContact NH2-OE1 3.11Å; R417-E613 IonicContact NH2-OE2 3.61Å; R417-E613 PolarHBondContact NH2-OE2 2.62Å; R417-W636 HydrophobicContact CB-CE3 4.32Å; R417-W636 HydrophobicContact CG-CD2 4.22Å; R417-W636 HydrophobicContact CG-CE3 4.13Å; R417-W636 HydrophobicContact CG-CH2 4.42Å; R417-W636 HydrophobicContact CG-CZ2 4.5Å; R417-W636 HydrophobicContact CG-CZ3 4.24Å; R417-L640 HydrophobicContact CB-CD1 3.89Å; R417-L640 HydrophobicContact CB-CD2 4Å; R417-L640 HydrophobicContact CB-CG 4.48Å
418	Q	98.8	Very high	98.3	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-50.6	-50	168.7	-70.2	-68.2	-7.5	0	0	109.4	S401 W402 V403 S414 L415 G422 L640	S401-Q418 CarbonylContact C-O 3.45Å; S401-Q418 WeakPolarHBondContact CA-O 3.25Å; W402-Q418 PolarHBondContact N-O 3.05Å; V403-Q418 VanDerWaalsContact N-OE1 3.12Å; S414-Q418 WeakPolarHBondContact O-CG 3.38Å; S414-Q418 PolarHBondContact O-N 3.01Å; L415-Q418 WeakPolarHBondContact O-CB 3.49Å; L415-Q418 PolarHBondContact O-N 3.32Å; Q418-G422 PolarHBondContact O-N 3.33Å; Q418-L640 HydrophobicContact CG-CD2 4.01Å; Q418-L640 PolarHBondContact NE2-O 2.8Å
419	H	98.6	Very high	98.3	Very high	7 Å²	7	17.2 Å²	17.2	3%	0.032	8%	0.082	C	C	.	.	H	α-helix	trans	-79.3	-35.7	-176.8	-63.1	-58.9	0	0	0	114.1	G400 L415 I416 R417 Q423 Y453 C456 M458	G400-H419 VanDerWaalsContact O-CA 3.27Å; G400-H419 WeakPolarHBondContact O-CA 3.36Å; G400-H419 PolarHBondContact O-ND1 2.8Å; L415-H419 PolarHBondContact O-CD2 3.38Å; L415-H419 PolarHBondContact O-N 2.88Å; I416-H419 CarbonylContact O-C 3.55Å; I416-H419 PolarHBondContact O-N 3.05Å; I416-H419 VanDerWaalsContact O-N 3.13Å; R417-H419 PolarHBondContact O-N 3.12Å; H419-Q423 WeakPolarHBondContact O-CB 3.46Å; H419-Q423 WeakPolarHBondContact O-CG 3.35Å; H419-Q423 PolarHBondContact O-N 2.68Å; H419-Y453 AromaticContact CE1-CE1 3.96Å; H419-Y453 AromaticContact NE2-CD1 3.5Å; H419-Y453 WeakPolarHBondContact NE2-CD1 3.22Å; H419-Y453 AromaticContact NE2-CE1 3.31Å; H419-Y453 VanDerWaalsContact NE2-CE1 3.31Å; H419-Y453 WeakPolarHBondContact NE2-CE1 3.39Å; H419-C456 HydrophobicContact CB-CB 3.69Å; H419-C456 WeakPolarHBondContact CB-SG 3.24Å; H419-M458 HydrophobicContact CB-CE 4.16Å; H419-M458 VanDerWaalsContact CE1-CE 3.48Å; H419-M458 WeakPolarHBondContact CE1-CE 3.24Å; H419-M458 WeakPolarHBondContact ND1-CE 3.39Å
420	L	98.3	Very high	98.3	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-55.6	-56	174.2	176	66	0	0	0	110.5	I416 R417 H424 E1017 E1055	I416-L420 WeakPolarHBondContact O-CB 3.44Å; I416-L420 PolarHBondContact O-N 2.92Å; R417-L420 PolarHBondContact O-N 2.68Å; L420-H424 VanDerWaalsContact CD1-CE1 3.46Å; L420-H424 WeakPolarHBondContact CD1-CE1 3.34Å; L420-H424 VanDerWaalsContact O-CB 3.24Å; L420-H424 WeakPolarHBondContact O-CB 3.48Å; L420-H424 PolarHBondContact O-CD2 3.07Å; L420-H424 VanDerWaalsContact O-CG 3.25Å; L420-H424 PolarHBondContact O-N 2.78Å; L420-E1017 HydrophobicContact CD1-CG 4.49Å; L420-E1017 HydrophobicContact CD2-CG 4.03Å; L420-E1017 HydrophobicContact CG-CG 4.47Å; L420-E1055 HydrophobicContact CD1-CG 3.95Å
421	Y	98.6	Very high	98.2	Very high	12 Å²	12	21.3 Å²	21.3	5%	0.047	12%	0.116	C	C	.	.	H	α-helix	trans	-73.5	-34.8	-177.6	-64.9	-57	0	0	0	112.8	R417 Y425 W636 L640 E1017	R417-Y421 HydrophobicContact CB-CD2 4.29Å; R417-Y421 HydrophobicContact CB-CE2 4.15Å; R417-Y421 PolarHBondContact NH1-OH 2.86Å; R417-Y421 VanDerWaalsContact O-CD2 3.24Å; R417-Y421 WeakPolarHBondContact O-CD2 3.5Å; R417-Y421 PolarHBondContact O-N 2.68Å; Y421-Y425 VanDerWaalsContact O-CB 3.26Å; Y421-Y425 WeakPolarHBondContact O-CB 3.2Å; Y421-Y425 PolarHBondContact O-N 2.67Å; Y421-W636 HydrophobicContact CD2-CB 4.44Å; Y421-W636 HydrophobicContact CE2-CB 3.53Å; Y421-W636 HydrophobicContact CE2-CG 4.03Å; Y421-L640 HydrophobicContact CD2-CD1 3.54Å; Y421-L640 HydrophobicContact CE2-CD1 4.15Å; Y421-E1017 HydrophobicContact CE1-CG 4.48Å; Y421-E1017 PolarHBondContact OH-OE1 3.15Å; Y421-E1017 VanDerWaalsContact OH-OE1 3.14Å
422	G	98.5	Very high	98	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-62.3	-53.9	174.3	0	0	0	0	0	112.3	Q418 Y425 F426	Q418-G422 PolarHBondContact O-N 3.33Å; G422-Y425 PolarHBondContact O-N 3.34Å; G422-F426 WeakPolarHBondContact O-CD2 3.33Å; G422-F426 WeakPolarHBondContact O-CG 3.24Å; G422-F426 PolarHBondContact O-N 2.86Å
423	Q	98.2	Very high	97.9	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-62.7	-44.5	178.8	-69.8	-72.3	26.7	0	0	111.9	H419 Y425 F426 L427 Y433 C434 C456 T1054	H419-Q423 WeakPolarHBondContact O-CB 3.46Å; H419-Q423 WeakPolarHBondContact O-CG 3.35Å; H419-Q423 PolarHBondContact O-N 2.68Å; Q423-Y425 VanDerWaalsContact C-N 3.33Å; Q423-Y425 PolarHBondContact O-N 2.83Å; Q423-F426 PolarHBondContact O-N 3.5Å; Q423-L427 WeakPolarHBondContact O-CB 3.49Å; Q423-L427 PolarHBondContact O-N 3.25Å; Q423-Y433 HydrophobicContact CB-CD1 3.57Å; Q423-Y433 HydrophobicContact CB-CE1 3.67Å; Q423-Y433 HydrophobicContact CG-CD1 4.2Å; Q423-Y433 WeakPolarHBondContact O-CD1 3.46Å; Q423-Y433 WeakPolarHBondContact O-CE1 3.39Å; Q423-C434 PolarHBondContact NE2-O 2.91Å; Q423-C456 PolarHBondContact NE2-O 3.36Å; Q423-T1054 HydrophobicContact CB-CG2 4.05Å; Q423-T1054 HydrophobicContact CG-CG2 4.14Å
424	H	97.8	Very high	97.8	Very high	48 Å²	48	27 Å²	27	22%	0.222	14%	0.138	C	C	.	.	H	α-helix	trans	-61.9	-40.8	176.6	-79.5	-164.7	0	0	0	112.2	L420 K428 T1054	L420-H424 VanDerWaalsContact CD1-CE1 3.46Å; L420-H424 WeakPolarHBondContact CD1-CE1 3.34Å; L420-H424 VanDerWaalsContact O-CB 3.24Å; L420-H424 WeakPolarHBondContact O-CB 3.48Å; L420-H424 PolarHBondContact O-CD2 3.07Å; L420-H424 VanDerWaalsContact O-CG 3.25Å; L420-H424 PolarHBondContact O-N 2.78Å; H424-K428 WeakPolarHBondContact O-CB 3.12Å; H424-K428 PolarHBondContact O-N 2.92Å; H424-T1054 PolarHBondContact NE2-O 2.98Å
425	Y	98.3	Very high	97.6	Very high	22 Å²	22	29.6 Å²	29.6	9%	0.086	15%	0.153	C	C	.	.	H	α-helix	trans	-61.1	-48.2	174.7	177.6	-99	0	0	0	111.1	A369 L372 S373 E376 F383 W402 Y421 G422 Q423 L427 K428 A429 F430	A369-Y425 HydrophobicContact CB-CD1 3.66Å; A369-Y425 HydrophobicContact CB-CE1 4.48Å; A369-Y425 HydrophobicContact CB-CG 4.21Å; L372-Y425 VanDerWaalsContact C-OH 3.32Å; L372-Y425 HydrophobicContact CB-CE1 3.73Å; L372-Y425 PolarHBondContact O-OH 3.17Å; S373-Y425 WeakPolarHBondContact CA-OH 3.39Å; S373-Y425 PolarHBondContact N-OH 2.93Å; E376-Y425 VanDerWaalsContact OE2-CE2 3.27Å; E376-Y425 WeakPolarHBondContact OE2-CE2 3.36Å; E376-Y425 PolarHBondContact OE2-OH 3.43Å; F383-Y425 VanDerWaalsContact CE2-OH 3.25Å; F383-Y425 WeakPolarHBondContact CE2-OH 3.35Å; F383-Y425 WeakPolarHBondContact CZ-OH 3.48Å; W402-Y425 HydrophobicContact CZ3-CD2 4.49Å; W402-Y425 HydrophobicContact CZ3-CG 4.3Å; Y421-Y425 VanDerWaalsContact O-CB 3.26Å; Y421-Y425 WeakPolarHBondContact O-CB 3.2Å; Y421-Y425 PolarHBondContact O-N 2.67Å; G422-Y425 PolarHBondContact O-N 3.34Å; Q423-Y425 VanDerWaalsContact C-N 3.33Å; Q423-Y425 PolarHBondContact O-N 2.83Å; Y425-L427 PolarHBondContact O-N 3.07Å; Y425-K428 PolarHBondContact O-N 3.27Å; Y425-A429 HydrophobicContact CE1-CB 4.17Å; Y425-A429 HydrophobicContact CE2-CB 4.41Å; Y425-A429 VanDerWaalsContact O-CB 3.31Å; Y425-A429 WeakPolarHBondContact O-CB 3.08Å; Y425-A429 PolarHBondContact O-N 2.96Å; Y425-F430 HydrophobicContact CE1-CE2 4.11Å
426	F	98.2	Very high	97.5	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-63.2	-40.6	179	-73	-27.3	0	0	0	113.8	S367 A369 L372 I397 G422 Q423 F430 G431 K432 C434	S367-F426 WeakPolarHBondContact O-CZ 3.33Å; A369-F426 HydrophobicContact CB-CD1 4.4Å; A369-F426 HydrophobicContact CB-CE1 3.83Å; A369-F426 HydrophobicContact CB-CE2 4.35Å; A369-F426 HydrophobicContact CB-CZ 3.82Å; L372-F426 HydrophobicContact CD1-CE1 3.67Å; L372-F426 HydrophobicContact CD1-CZ 4.43Å; I397-F426 HydrophobicContact CB-CD1 4.25Å; I397-F426 HydrophobicContact CB-CE1 4.12Å; I397-F426 HydrophobicContact CB-CE2 4.43Å; I397-F426 HydrophobicContact CB-CG 4.49Å; I397-F426 HydrophobicContact CB-CZ 4.2Å; I397-F426 HydrophobicContact CD1-CB 3.75Å; I397-F426 HydrophobicContact CD1-CD1 3.95Å; I397-F426 HydrophobicContact CD1-CD2 4.29Å; I397-F426 HydrophobicContact CD1-CG 3.75Å; I397-F426 HydrophobicContact CG2-CD1 4.15Å; I397-F426 HydrophobicContact CG2-CE1 3.98Å; I397-F426 HydrophobicContact CG2-CZ 4.47Å; G422-F426 WeakPolarHBondContact O-CD2 3.33Å; G422-F426 WeakPolarHBondContact O-CG 3.24Å; G422-F426 PolarHBondContact O-N 2.86Å; Q423-F426 PolarHBondContact O-N 3.5Å; F426-F430 AromaticContact CD1-CD2 3.82Å; F426-F430 HydrophobicContact CD1-CD2 3.82Å; F426-F430 AromaticContact CD1-CE2 3.86Å; F426-F430 HydrophobicContact CD1-CE2 3.86Å; F426-F430 HydrophobicContact CE1-CE2 4.28Å; F426-F430 WeakPolarHBondContact O-CA 3.41Å; F426-F430 WeakPolarHBondContact O-CB 3.28Å; F426-F430 PolarHBondContact O-N 2.91Å; F426-G431 PolarHBondContact O-N 3.36Å; F426-K432 CarbonylContact C-O 3.59Å; F426-C434 WeakPolarHBondContact CD2-SG 3.36Å
427	L	97.3	Very high	97.5	Very high	69 Å²	69	30 Å²	30	36%	0.361	16%	0.155	S	C	.	.	H	α-helix	trans	-61.4	-45.9	173.3	-177.7	65	0	0	0	111	Q423 Y425 G431 K432 Y433	Q423-L427 WeakPolarHBondContact O-CB 3.49Å; Q423-L427 PolarHBondContact O-N 3.25Å; Y425-L427 PolarHBondContact O-N 3.07Å; L427-G431 WeakPolarHBondContact O-CA 3.15Å; L427-G431 PolarHBondContact O-N 3Å; L427-K432 PolarHBondContact N-O 2.84Å; L427-Y433 HydrophobicContact CB-CD1 4.11Å; L427-Y433 HydrophobicContact CB-CE1 3.71Å; L427-Y433 HydrophobicContact CD2-CE1 3.97Å; L427-Y433 HydrophobicContact CD2-CE2 4.2Å; L427-Y433 WeakPolarHBondContact CD2-OH 3.41Å; L427-Y433 HydrophobicContact CG-CE1 4.32Å
428	K	97.1	Very high	97.5	Very high	174 Å²	174	30.3 Å²	30.3	76%	0.757	16%	0.156	S	C	*	.	H	α-helix	trans	-65.5	-47.2	-179.8	-177.7	-176.3	174.8	-171.7	0	112.5	H424 Y425	H424-K428 WeakPolarHBondContact O-CB 3.12Å; H424-K428 PolarHBondContact O-N 2.92Å; Y425-K428 PolarHBondContact O-N 3.27Å
429	A	97.8	Very high	97.4	Very high	7 Å²	7	30.6 Å²	30.6	6%	0.058	16%	0.158	C	C	.	.	H	α-helix	trans	-78	-40.7	-174.4	0	0	0	0	0	112.7	F383 R387 Y425	F383-A429 HydrophobicContact CZ-CB 4.05Å; R387-A429 PolarHBondContact NE-O 3.49Å; R387-A429 PolarHBondContact NH2-O 2.87Å; Y425-A429 HydrophobicContact CE1-CB 4.17Å; Y425-A429 HydrophobicContact CE2-CB 4.41Å; Y425-A429 VanDerWaalsContact O-CB 3.31Å; Y425-A429 WeakPolarHBondContact O-CB 3.08Å; Y425-A429 PolarHBondContact O-N 2.96Å
430	F	97.7	Very high	97.3	Very high	28 Å²	28	30.3 Å²	30.3	12%	0.123	16%	0.157	C	C	.	.	H	α-helix	trans	-124.4	-4.8	-167.5	-51.2	-68.3	0	0	0	114.6	L372 F383 R387 V390 I397 Y425 F426 K432	L372-F430 HydrophobicContact CD1-CE2 3.93Å; L372-F430 HydrophobicContact CD1-CZ 4.09Å; L372-F430 HydrophobicContact CD2-CZ 4.18Å; F383-F430 HydrophobicContact CE2-CE1 4.26Å; F383-F430 AromaticContact CE2-CZ 3.76Å; F383-F430 HydrophobicContact CE2-CZ 3.76Å; F383-F430 HydrophobicContact CZ-CE1 4.24Å; F383-F430 HydrophobicContact CZ-CZ 4Å; R387-F430 HydrophobicContact CB-CE1 4.23Å; R387-F430 HydrophobicContact CG-CD1 4.14Å; R387-F430 HydrophobicContact CG-CE1 4.29Å; V390-F430 HydrophobicContact CB-CD1 3.99Å; V390-F430 HydrophobicContact CB-CE1 4.48Å; V390-F430 HydrophobicContact CG1-CB 3.98Å; V390-F430 HydrophobicContact CG1-CD1 3.89Å; V390-F430 HydrophobicContact CG1-CG 4.08Å; V390-F430 HydrophobicContact CG2-CD1 3.94Å; V390-F430 HydrophobicContact CG2-CE1 4Å; I397-F430 HydrophobicContact CD1-CB 3.95Å; I397-F430 HydrophobicContact CD1-CD2 3.83Å; I397-F430 HydrophobicContact CD1-CG 4.18Å; I397-F430 HydrophobicContact CG2-CD2 3.92Å; I397-F430 HydrophobicContact CG2-CE2 3.97Å; I397-F430 HydrophobicContact CG2-CG 4.48Å; Y425-F430 HydrophobicContact CE1-CE2 4.11Å; F426-F430 AromaticContact CD1-CD2 3.82Å; F426-F430 HydrophobicContact CD1-CD2 3.82Å; F426-F430 AromaticContact CD1-CE2 3.86Å; F426-F430 HydrophobicContact CD1-CE2 3.86Å; F426-F430 HydrophobicContact CE1-CE2 4.28Å; F426-F430 WeakPolarHBondContact O-CA 3.41Å; F426-F430 WeakPolarHBondContact O-CB 3.28Å; F426-F430 PolarHBondContact O-N 2.91Å; F430-K432 PolarHBondContact O-N 3.18Å
431	G	96.2	Very high	97.3	Very high	58 Å²	58	30.8 Å²	30.8	60%	0.598	16%	0.16	S	C	*	.	S	Bend	trans	78.3	13.8	173.1	0	0	0	0	0	115.5	F426 L427	F426-G431 PolarHBondContact O-N 3.36Å; L427-G431 WeakPolarHBondContact O-CA 3.15Å; L427-G431 PolarHBondContact O-N 3Å
432	K	94.7	Very high	97.3	Very high	79 Å²	79	30.2 Å²	30.2	34%	0.343	16%	0.157	S	C	.	.			trans	-149.1	152.1	-179.5	66.5	-172.1	178.8	-176.5	0	112.9	I397 F426 L427 F430	I397-K432 HydrophobicContact CD1-CG 3.94Å; F426-K432 CarbonylContact C-O 3.59Å; L427-K432 PolarHBondContact N-O 2.84Å; F430-K432 PolarHBondContact O-N 3.18Å
433	Y	95.6	Very high	97.2	Very high	56 Å²	56	30.3 Å²	30.3	22%	0.22	16%	0.157	C	C	.	.			trans	-87.2	153.2	167.9	-67.7	-50.5	0	0	0	111.4	Q423 L427	Q423-Y433 HydrophobicContact CB-CD1 3.57Å; Q423-Y433 HydrophobicContact CB-CE1 3.67Å; Q423-Y433 HydrophobicContact CG-CD1 4.2Å; Q423-Y433 WeakPolarHBondContact O-CD1 3.46Å; Q423-Y433 WeakPolarHBondContact O-CE1 3.39Å; L427-Y433 HydrophobicContact CB-CD1 4.11Å; L427-Y433 HydrophobicContact CB-CE1 3.71Å; L427-Y433 HydrophobicContact CD2-CE1 3.97Å; L427-Y433 HydrophobicContact CD2-CE2 4.2Å; L427-Y433 WeakPolarHBondContact CD2-OH 3.41Å; L427-Y433 HydrophobicContact CG-CE1 4.32Å
434	C	96.8	Very high	97.1	Very high	5 Å²	5	30.3 Å²	30.3	3%	0.034	16%	0.158	C	C	.	.			trans	-79	146.6	168	-61.7	0	0	0	0	109.9	Q423 F426	Q423-C434 PolarHBondContact NE2-O 2.91Å; F426-C434 WeakPolarHBondContact CD2-SG 3.36Å
435	T	95.7	Very high	97.2	Very high	53 Å²	53	28.2 Å²	28.2	33%	0.325	15%	0.148	S	C	.	.	S	Bend	trans	-103.3	-6.4	178	62.1	0	0	0	0	113.3	M458 Q459 H460	T435-M458 CarbonylContact O-C 3.53Å; T435-M458 WeakPolarHBondContact O-CA 3.45Å; T435-Q459 PolarHBondContact O-N 2.97Å; T435-H460 PolarHBondContact O-N 3.22Å
436	E	96.9	Very high	97.2	Very high	11 Å²	11	27.3 Å²	27.3	5%	0.051	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	131.8	-172.6	62.1	-84.1	-153.8	0	0	110.4	V398 G399 W438 H460 P562 F566	V398-E436 HydrophobicContact CB-CG 4.39Å; G399-E436 CarbonylContact C-O 3.39Å; G399-E436 WeakPolarHBondContact CA-O 3.49Å; G399-E436 PolarHBondContact N-O 2.91Å; E436-W438 HydrophobicContact CG-CE3 4.07Å; E436-W438 HydrophobicContact CG-CZ3 4.49Å; E436-H460 CarbonylContact C-O 3.16Å; E436-H460 VanDerWaalsContact CA-O 3.31Å; E436-H460 WeakPolarHBondContact CA-O 3.18Å; E436-H460 HydrophobicContact CB-CB 3.7Å; E436-P562 WeakPolarHBondContact OE1-CB 3.28Å; E436-F566 HydrophobicContact CB-CE2 4.01Å; E436-F566 HydrophobicContact CG-CE2 4.41Å
437	A	98	Very high	97.2	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	142.3	162.7	0	0	0	0	0	109.3	Y453 M458 H460 F461 M462	A437-Y453 HydrophobicContact CB-CD1 3.85Å; A437-Y453 HydrophobicContact CB-CD2 3.68Å; A437-Y453 HydrophobicContact CB-CE1 3.76Å; A437-Y453 HydrophobicContact CB-CE2 3.57Å; A437-Y453 HydrophobicContact CB-CG 3.83Å; A437-M458 HydrophobicContact CB-SD 4.15Å; A437-H460 PolarHBondContact N-O 2.68Å; A437-F461 HydrophobicContact CB-CD2 3.94Å; A437-F461 WeakPolarHBondContact O-CA 3.14Å; A437-M462 PolarHBondContact O-N 2.64Å
438	W	97.8	Very high	97.2	Very high	7 Å²	7	24 Å²	24	3%	0.027	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	98.5	-168.4	-163.1	-81.3	0	0	0	109.8	L325 A365 S367 V398 G399 E436 M462 L525 L527 P562	L325-W438 HydrophobicContact CD2-CH2 3.63Å; L325-W438 HydrophobicContact CD2-CZ2 4.2Å; A365-W438 HydrophobicContact CB-CZ2 4.26Å; S367-W438 PolarHBondContact OG-O 2.81Å; V398-W438 HydrophobicContact CB-CB 4.3Å; V398-W438 HydrophobicContact CB-CD2 3.98Å; V398-W438 HydrophobicContact CB-CE3 3.86Å; V398-W438 HydrophobicContact CB-CG 4.22Å; V398-W438 HydrophobicContact CB-CZ3 4.45Å; V398-W438 HydrophobicContact CG1-CE3 4.17Å; V398-W438 HydrophobicContact CG1-CZ3 4.26Å; V398-W438 HydrophobicContact CG2-CB 4.01Å; V398-W438 HydrophobicContact CG2-CD2 3.56Å; V398-W438 HydrophobicContact CG2-CE3 3.97Å; V398-W438 HydrophobicContact CG2-CG 3.61Å; G399-W438 VanDerWaalsContact CA-CB 3.43Å; E436-W438 HydrophobicContact CG-CE3 4.07Å; E436-W438 HydrophobicContact CG-CZ3 4.49Å; W438-M462 HydrophobicContact CD2-CB 4.22Å; W438-M462 HydrophobicContact CD2-CE 3.4Å; W438-M462 VanDerWaalsContact CD2-CE 3.4Å; W438-M462 HydrophobicContact CE3-CB 3.84Å; W438-M462 HydrophobicContact CE3-CE 4.05Å; W438-M462 HydrophobicContact CE3-CG 4.36Å; W438-M462 HydrophobicContact CG-CE 3.78Å; W438-M462 HydrophobicContact CH2-CE 4.1Å; W438-M462 HydrophobicContact CH2-CG 4.46Å; W438-M462 HydrophobicContact CZ2-CE 3.47Å; W438-M462 VanDerWaalsContact CZ2-CE 3.47Å; W438-M462 HydrophobicContact CZ3-CB 4.13Å; W438-M462 HydrophobicContact CZ3-CE 4.35Å; W438-M462 HydrophobicContact CZ3-CG 4.28Å; W438-L525 HydrophobicContact CH2-CD2 3.8Å; W438-L525 HydrophobicContact CZ2-CD2 4.48Å; W438-L525 HydrophobicContact CZ3-CD2 4.44Å; W438-L527 HydrophobicContact CH2-CD2 4.09Å; W438-L527 HydrophobicContact CZ2-CD1 4.14Å; W438-L527 HydrophobicContact CZ2-CD2 3.71Å; W438-P562 HydrophobicContact CH2-CB 4.44Å; W438-P562 HydrophobicContact CH2-CG 4.36Å; W438-P562 HydrophobicContact CZ3-CB 3.94Å; W438-P562 HydrophobicContact CZ3-CG 4.13Å
439	L	97.7	Very high	97.3	Very high	6 Å²	6	15.8 Å²	15.8	3%	0.031	9%	0.092	C	C	.	.			trans	-133.9	69.1	-173.5	-68	-178.7	0	0	0	110	E404 D441 T442 Y445 Y453 F461 M462 T463	E404-L439 HydrophobicContact CB-CD2 3.98Å; E404-L439 HydrophobicContact CG-CD2 4.3Å; L439-D441 VanDerWaalsContact C-N 3.29Å; L439-D441 PolarHBondContact O-N 2.74Å; L439-T442 WeakPolarHBondContact CB-OG1 3.35Å; L439-Y445 HydrophobicContact CB-CE1 4.37Å; L439-Y453 VanDerWaalsContact CD1-OH 3.23Å; L439-Y453 WeakPolarHBondContact CD1-OH 2.98Å; L439-F461 HydrophobicContact CB-CE2 4.07Å; L439-F461 HydrophobicContact CD1-CE2 4.31Å; L439-F461 HydrophobicContact CG-CE2 4.41Å; L439-M462 PolarHBondContact N-O 3.2Å; L439-T463 VanDerWaalsContact O-CB 3.26Å; L439-T463 WeakPolarHBondContact O-CB 3.44Å; L439-T463 PolarHBondContact O-OG1 3.26Å
440	P	96.7	Very high	97.3	Very high	2 Å²	2	15.5 Å²	15.5	1%	0.013	9%	0.089	C	C	.	.	S	Bend	trans	-60.1	-38.6	-174.8	23	-32	0	0	0	112.6	M462 Q464 K465 Y499	P440-M462 HydrophobicContact CB-CE 4.17Å; P440-Q464 HydrophobicContact CB-CB 4.33Å; P440-Q464 WeakPolarHBondContact O-CA 3.4Å; P440-Q464 WeakPolarHBondContact O-CB 3.45Å; P440-Q464 PolarHBondContact O-N 3.39Å; P440-Q464 VanDerWaalsContact O-N 3.12Å; P440-K465 PolarHBondContact O-N 3.33Å; P440-Y499 HydrophobicContact CB-CD1 3.76Å; P440-Y499 HydrophobicContact CB-CE1 4.34Å; P440-Y499 HydrophobicContact CB-CG 4.08Å
441	D	97.4	Very high	97.4	Very high	10 Å²	10	14.7 Å²	14.7	5%	0.053	9%	0.086	C	C	.	.	S	Bend	trans	-114.8	11.4	-168.4	-144	52.7	0	0	0	115.9	H329 L439 F443 K465 Y499	H329-D441 WeakPolarHBondContact NE2-CB 3.41Å; L439-D441 VanDerWaalsContact C-N 3.29Å; L439-D441 PolarHBondContact O-N 2.74Å; D441-F443 WeakPolarHBondContact O-CD1 3.23Å; D441-F443 WeakPolarHBondContact O-CE1 3.38Å; D441-K465 VanDerWaalsContact OD1-CD 3.23Å; D441-K465 WeakPolarHBondContact OD1-CD 3.35Å; D441-K465 WeakPolarHBondContact OD1-CE 3.26Å; D441-K465 IonicContact OD1-NZ 3.59Å; D441-K465 PolarHBondContact OD1-NZ 3.49Å; D441-K465 IonicContact OD2-NZ 3.66Å; D441-K465 PolarHBondContact OD2-NZ 2.79Å; D441-Y499 HydrophobicContact CB-CE1 4.2Å; D441-Y499 WeakPolarHBondContact OD1-CE1 3.37Å; D441-Y499 PolarHBondContact OD1-OH 3.27Å; D441-Y499 VanDerWaalsContact OD1-OH 3.12Å
442	T	98	Very high	97.5	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.058	C	C	.	.			trans	-66.7	142.8	178.9	-65.7	0	0	0	0	113.4	S405 L439 G444 Y445 K465	S405-T442 PolarHBondContact O-OG1 3.25Å; L439-T442 WeakPolarHBondContact CB-OG1 3.35Å; T442-G444 VanDerWaalsContact C-N 3.35Å; T442-G444 WeakPolarHBondContact CG2-O 3.42Å; T442-G444 PolarHBondContact O-N 3.34Å; T442-G444 VanDerWaalsContact O-N 3.1Å; T442-Y445 HydrophobicContact CG2-CD1 4.22Å; T442-Y445 HydrophobicContact CG2-CE1 3.92Å; T442-Y445 PolarHBondContact O-OH 2.75Å; T442-K465 WeakPolarHBondContact O-CB 3.34Å
443	F	97.5	Very high	97.7	Very high	1 Å²	1	8.3 Å²	8.3	0%	0.004	4%	0.042	C	C	.	.	S	Bend	trans	-90.3	55.8	-172.2	-51.2	-28.1	0	0	0	114.4	D441 K465 L585 H588 T591 H645 D646 P649 T651 W783	D441-F443 WeakPolarHBondContact O-CD1 3.23Å; D441-F443 WeakPolarHBondContact O-CE1 3.38Å; F443-K465 HydrophobicContact CD1-CG 4.37Å; F443-L585 HydrophobicContact CB-CD2 4.14Å; F443-H588 HydrophobicContact CB-CB 4.28Å; F443-H588 AromaticContact CD1-CE1 3.99Å; F443-H588 AromaticContact CD1-ND1 3.22Å; F443-H588 WeakPolarHBondContact CD1-ND1 3.46Å; F443-H588 HydrophobicContact CD2-CB 4.48Å; F443-H588 AromaticContact CE1-CE1 3.8Å; F443-H588 AromaticContact CE1-ND1 3.43Å; F443-H588 WeakPolarHBondContact CE1-ND1 3.15Å; F443-H588 HydrophobicContact CG-CB 4.21Å; F443-H588 AromaticContact CG-ND1 3.61Å; F443-H588 AromaticContact CZ-ND1 3.95Å; F443-T591 HydrophobicContact CD2-CG2 3.92Å; F443-T591 HydrophobicContact CE2-CG2 4.39Å; F443-H645 WeakPolarHBondContact CD2-O 3.34Å; F443-H645 WeakPolarHBondContact CE2-O 3.35Å; F443-D646 WeakPolarHBondContact CZ-OD1 3.25Å; F443-P649 HydrophobicContact CD2-CB 3.85Å; F443-P649 HydrophobicContact CD2-CG 4.04Å; F443-P649 HydrophobicContact CE2-CB 4.06Å; F443-P649 HydrophobicContact CE2-CG 4.46Å; F443-T651 HydrophobicContact CE2-CG2 4.43Å; F443-W783 AromaticContact CE2-CD1 3.75Å; F443-W783 AromaticContact CE2-NE1 3.68Å; F443-W783 AromaticContact CZ-CD1 3.87Å; F443-W783 AromaticContact CZ-NE1 3.55Å
444	G	96.6	Very high	97.8	Very high	1 Å²	1	7.3 Å²	7.3	1%	0.01	4%	0.041	C	C	.	.			trans	110.1	159.1	-179.7	0	0	0	0	0	113.1	G407 C408 T442	G407-G444 WeakPolarHBondContact CA-O 3.31Å; C408-G444 VanDerWaalsContact SG-C 3.51Å; T442-G444 VanDerWaalsContact C-N 3.35Å; T442-G444 WeakPolarHBondContact CG2-O 3.42Å; T442-G444 PolarHBondContact O-N 3.34Å; T442-G444 VanDerWaalsContact O-N 3.1Å
445	Y	98.4	Very high	97.8	Very high	3 Å²	3	7.8 Å²	7.8	1%	0.012	5%	0.046	C	C	.	.	B	Isolated β-bridge	trans	-137	117.6	-169.4	-39.8	-92.6	0	0	0	111.4	L439 T442 F461 T463 K465 L466 E582 L583	L439-Y445 HydrophobicContact CB-CE1 4.37Å; T442-Y445 HydrophobicContact CG2-CD1 4.22Å; T442-Y445 HydrophobicContact CG2-CE1 3.92Å; T442-Y445 PolarHBondContact O-OH 2.75Å; Y445-F461 HydrophobicContact CD1-CE1 4.32Å; Y445-F461 HydrophobicContact CD1-CE2 4.45Å; Y445-F461 AromaticContact CD1-CZ 3.56Å; Y445-F461 HydrophobicContact CD1-CZ 3.56Å; Y445-F461 AromaticContact CE1-CZ 3.72Å; Y445-F461 HydrophobicContact CE1-CZ 3.72Å; Y445-F461 HydrophobicContact CG-CZ 4.29Å; Y445-T463 HydrophobicContact CE1-CG2 4.26Å; Y445-T463 WeakPolarHBondContact CE1-OG1 3.45Å; Y445-T463 HydrophobicContact CE2-CG2 4.33Å; Y445-T463 PolarHBondContact OH-OG1 3.22Å; Y445-K465 WeakPolarHBondContact OH-CB 3.24Å; Y445-L466 HydrophobicContact CD2-CD1 4.31Å; Y445-L466 HydrophobicContact CD2-CD2 4.05Å; Y445-L466 HydrophobicContact CD2-CG 4.2Å; Y445-L466 HydrophobicContact CE2-CD1 4.13Å; Y445-L466 HydrophobicContact CE2-CD2 3.74Å; Y445-L466 HydrophobicContact CE2-CG 3.65Å; Y445-E582 WeakPolarHBondContact O-CA 3.24Å; Y445-L583 HydrophobicContact CD2-CB 3.69Å; Y445-L583 HydrophobicContact CD2-CD1 4.35Å; Y445-L583 WeakPolarHBondContact CD2-O 3.45Å; Y445-L583 HydrophobicContact CG-CB 4.24Å; Y445-L583 HydrophobicContact CG-CD1 4.46Å; Y445-L583 PolarHBondContact N-O 3.15Å; Y445-L583 PolarHBondContact O-N 2.87Å
446	S	98.2	Very high	97.9	Very high	3 Å²	3	5.3 Å²	5.3	2%	0.021	3%	0.031	C	C	.	.			trans	-58.6	144.6	177.1	175.1	0	0	0	0	113.2	G407 Q448 L449 W481 I872 Q873	G407-S446 VanDerWaalsContact O-CB 3.28Å; G407-S446 WeakPolarHBondContact O-CB 3.36Å; G407-S446 PolarHBondContact O-N 2.8Å; S446-Q448 PolarHBondContact O-N 3.31Å; S446-Q448 VanDerWaalsContact O-N 3.1Å; S446-Q448 PolarHBondContact OG-N 3.09Å; S446-L449 WeakPolarHBondContact O-CB 3.32Å; S446-L449 WeakPolarHBondContact O-CG 3.38Å; S446-L449 PolarHBondContact O-N 3.2Å; S446-W481 WeakPolarHBondContact O-CZ2 3.5Å; S446-I872 WeakPolarHBondContact OG-CD1 3.48Å; S446-Q873 PolarHBondContact OG-OE1 3.03Å
447	G	98.2	Very high	97.9	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	4%	0.04	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-8.3	178.7	0	0	0	0	0	115	G483 I484	G447-G483 CarbonylContact O-C 3.45Å; G447-G483 WeakPolarHBondContact O-CA 3.39Å; G447-I484 PolarHBondContact O-N 3.03Å
448	Q	98.3	Very high	97.9	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	4%	0.04	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96	-6.3	175.5	-101.2	-57.4	11.6	0	0	115.4	S446 P450 Q451 I452 I484 I872 Q873 F874 F1076	S446-Q448 PolarHBondContact O-N 3.31Å; S446-Q448 VanDerWaalsContact O-N 3.1Å; S446-Q448 PolarHBondContact OG-N 3.09Å; Q448-P450 VanDerWaalsContact C-CD 3.47Å; Q448-Q451 VanDerWaalsContact CD-OE1 3.29Å; Q448-Q451 PolarHBondContact O-N 2.83Å; Q448-I452 HydrophobicContact CB-CD1 4.33Å; Q448-I452 WeakPolarHBondContact O-CG1 3.48Å; Q448-I452 PolarHBondContact O-N 2.77Å; Q448-I452 VanDerWaalsContact O-N 3.1Å; Q448-I484 HydrophobicContact CG-CD1 3.66Å; Q448-I484 HydrophobicContact CG-CG1 3.68Å; Q448-I872 HydrophobicContact CB-CD1 4.48Å; Q448-Q873 WeakPolarHBondContact CB-O 3.27Å; Q448-Q873 WeakPolarHBondContact CG-O 3.37Å; Q448-F874 HydrophobicContact CG-CB 4.32Å; Q448-F1076 PolarHBondContact NE2-O 3.26Å
449	L	98.7	Very high	97.9	Very high	2 Å²	2	11 Å²	11	1%	0.01	6%	0.057	C	C	.	.	H	α-helix	trans	-58.9	-36.8	-176.5	-72.8	171.2	0	0	0	114.1	L415 S446 Q451 I452 Y453 W481	L415-L449 HydrophobicContact CD1-CD2 3.74Å; S446-L449 WeakPolarHBondContact O-CB 3.32Å; S446-L449 WeakPolarHBondContact O-CG 3.38Å; S446-L449 PolarHBondContact O-N 3.2Å; L449-Q451 VanDerWaalsContact C-N 3.31Å; L449-Q451 PolarHBondContact O-N 3.02Å; L449-I452 HydrophobicContact CD2-CD1 4.45Å; L449-I452 PolarHBondContact O-N 3.02Å; L449-Y453 HydrophobicContact CB-CD2 4.44Å; L449-Y453 HydrophobicContact CB-CE1 4.49Å; L449-Y453 HydrophobicContact CB-CE2 3.88Å; L449-Y453 HydrophobicContact CD2-CE1 3.94Å; L449-Y453 WeakPolarHBondContact O-CB 3.13Å; L449-Y453 VanDerWaalsContact O-CD2 3.27Å; L449-Y453 WeakPolarHBondContact O-CD2 3.43Å; L449-Y453 PolarHBondContact O-N 2.88Å; L449-W481 HydrophobicContact CB-CH2 3.44Å; L449-W481 VanDerWaalsContact CB-CH2 3.44Å; L449-W481 HydrophobicContact CB-CZ2 4.05Å; L449-W481 HydrophobicContact CB-CZ3 4.08Å; L449-W481 HydrophobicContact CD1-CH2 3.8Å; L449-W481 HydrophobicContact CG-CH2 4.25Å
450	P	98.8	Very high	97.9	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-54.6	-43.5	174.8	-31.6	40.1	0	0	0	114.4	Q448 T454 W481 T487 I489	Q448-P450 VanDerWaalsContact C-CD 3.47Å; P450-T454 WeakPolarHBondContact O-CB 3.4Å; P450-T454 PolarHBondContact O-N 2.77Å; P450-T454 VanDerWaalsContact O-N 3.11Å; P450-T454 PolarHBondContact O-OG1 3.46Å; P450-W481 HydrophobicContact CG-CB 4.46Å; P450-W481 HydrophobicContact CG-CD2 3.46Å; P450-W481 VanDerWaalsContact CG-CD2 3.46Å; P450-W481 HydrophobicContact CG-CE3 3.92Å; P450-W481 HydrophobicContact CG-CG 3.72Å; P450-W481 HydrophobicContact CG-CH2 4.49Å; P450-W481 HydrophobicContact CG-CZ2 4.09Å; P450-W481 HydrophobicContact CG-CZ3 4.4Å; P450-T487 HydrophobicContact CB-CG2 4.48Å; P450-I489 HydrophobicContact CB-CD1 4.24Å; P450-I489 HydrophobicContact CB-CG1 4.05Å; P450-I489 HydrophobicContact CB-CG2 4.48Å; P450-I489 HydrophobicContact CG-CD1 4.41Å; P450-I489 HydrophobicContact CG-CG1 4.35Å
451	Q	98.7	Very high	97.9	Very high	12 Å²	12	11.4 Å²	11.4	6%	0.056	6%	0.059	C	C	.	.	H	α-helix	trans	-72.1	-44.7	178.1	-166.7	177.7	37.1	0	0	111.5	Q448 L449 Y453 T454 A455 D485 F1076 I1078	Q448-Q451 VanDerWaalsContact CD-OE1 3.29Å; Q448-Q451 PolarHBondContact O-N 2.83Å; L449-Q451 VanDerWaalsContact C-N 3.31Å; L449-Q451 PolarHBondContact O-N 3.02Å; Q451-Y453 VanDerWaalsContact C-N 3.29Å; Q451-Y453 PolarHBondContact O-N 3.09Å; Q451-T454 PolarHBondContact O-N 3.01Å; Q451-T454 VanDerWaalsContact O-N 3.16Å; Q451-A455 WeakPolarHBondContact O-CB 3.15Å; Q451-A455 PolarHBondContact O-N 3.04Å; Q451-D485 WeakPolarHBondContact CG-OD2 3.04Å; Q451-D485 PolarHBondContact NE2-OD2 2.91Å; Q451-F1076 PolarHBondContact OE1-O 3.02Å; Q451-I1078 HydrophobicContact CB-CD1 4.37Å; Q451-I1078 HydrophobicContact CG-CD1 4.14Å; Q451-I1078 VanDerWaalsContact NE2-N 3.12Å; Q451-I1078 VanDerWaalsContact OE1-CG1 3.3Å
452	I	98.7	Very high	97.9	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-56	-46.7	177.5	-68.5	170.6	0	0	0	110.3	L415 I416 Q448 L449 T454 A455 C456 Q873 F874 I1078	L415-I452 HydrophobicContact CB-CD1 4.3Å; L415-I452 HydrophobicContact CB-CG2 4.29Å; L415-I452 HydrophobicContact CD1-CD1 3.93Å; I416-I452 HydrophobicContact CG1-CG2 4Å; Q448-I452 HydrophobicContact CB-CD1 4.33Å; Q448-I452 WeakPolarHBondContact O-CG1 3.48Å; Q448-I452 PolarHBondContact O-N 2.77Å; Q448-I452 VanDerWaalsContact O-N 3.1Å; L449-I452 HydrophobicContact CD2-CD1 4.45Å; L449-I452 PolarHBondContact O-N 3.02Å; I452-T454 PolarHBondContact O-N 3.09Å; I452-A455 PolarHBondContact O-N 2.89Å; I452-C456 PolarHBondContact O-N 3.38Å; I452-C456 PolarHBondContact O-SG 3.08Å; I452-Q873 HydrophobicContact CD1-CB 4.3Å; I452-F874 HydrophobicContact CD1-CD2 4.03Å; I452-F874 HydrophobicContact CD1-CE2 4.26Å; I452-F874 HydrophobicContact CG1-CD2 4.14Å; I452-F874 HydrophobicContact CG1-CE2 4.32Å; I452-I1078 HydrophobicContact CG1-CD1 3.8Å
453	Y	98.7	Very high	97.9	Very high	2 Å²	2	11 Å²	11	1%	0.008	6%	0.057	C	C	.	.	H	α-helix	trans	-62.6	-43.9	177.9	-62.7	-22.5	0	0	0	112	H419 A437 L439 L449 Q451 A455 C456 Q457 M458 F461 W481 I489	H419-Y453 AromaticContact CE1-CE1 3.96Å; H419-Y453 AromaticContact NE2-CD1 3.5Å; H419-Y453 WeakPolarHBondContact NE2-CD1 3.22Å; H419-Y453 AromaticContact NE2-CE1 3.31Å; H419-Y453 VanDerWaalsContact NE2-CE1 3.31Å; H419-Y453 WeakPolarHBondContact NE2-CE1 3.39Å; A437-Y453 HydrophobicContact CB-CD1 3.85Å; A437-Y453 HydrophobicContact CB-CD2 3.68Å; A437-Y453 HydrophobicContact CB-CE1 3.76Å; A437-Y453 HydrophobicContact CB-CE2 3.57Å; A437-Y453 HydrophobicContact CB-CG 3.83Å; L439-Y453 VanDerWaalsContact CD1-OH 3.23Å; L439-Y453 WeakPolarHBondContact CD1-OH 2.98Å; L449-Y453 HydrophobicContact CB-CD2 4.44Å; L449-Y453 HydrophobicContact CB-CE1 4.49Å; L449-Y453 HydrophobicContact CB-CE2 3.88Å; L449-Y453 HydrophobicContact CD2-CE1 3.94Å; L449-Y453 WeakPolarHBondContact O-CB 3.13Å; L449-Y453 VanDerWaalsContact O-CD2 3.27Å; L449-Y453 WeakPolarHBondContact O-CD2 3.43Å; L449-Y453 PolarHBondContact O-N 2.88Å; Q451-Y453 VanDerWaalsContact C-N 3.29Å; Q451-Y453 PolarHBondContact O-N 3.09Å; Y453-A455 PolarHBondContact O-N 3.45Å; Y453-C456 CarbonylContact O-C 3.57Å; Y453-C456 VanDerWaalsContact O-C 3.24Å; Y453-C456 WeakPolarHBondContact O-CA 3.4Å; Y453-C456 PolarHBondContact O-N 3.03Å; Y453-Q457 PolarHBondContact O-N 3.05Å; Y453-M458 CarbonylContact C-O 3.53Å; Y453-M458 VanDerWaalsContact C-O 3.32Å; Y453-M458 HydrophobicContact CD1-CE 3.91Å; Y453-M458 HydrophobicContact CG-CE 4.36Å; Y453-M458 PolarHBondContact O-N 3.43Å; Y453-F461 AromaticContact CE2-CD2 3.68Å; Y453-F461 HydrophobicContact CE2-CD2 3.68Å; Y453-F461 HydrophobicContact CE2-CE2 4.07Å; Y453-F461 HydrophobicContact CE2-CG 4.2Å; Y453-W481 HydrophobicContact CE2-CZ3 4.04Å; Y453-I489 HydrophobicContact CD2-CD1 3.68Å; Y453-I489 HydrophobicContact CE2-CD1 4.41Å
454	T	98.2	Very high	97.9	Very high	35 Å²	35	10.9 Å²	10.9	22%	0.215	6%	0.057	C	C	.	.	H	α-helix	trans	-62.6	-42.1	175.8	-65.6	0	0	0	0	111.9	P450 Q451 I452 C456 Q457 M458 Q459 T487	P450-T454 WeakPolarHBondContact O-CB 3.4Å; P450-T454 PolarHBondContact O-N 2.77Å; P450-T454 VanDerWaalsContact O-N 3.11Å; P450-T454 PolarHBondContact O-OG1 3.46Å; Q451-T454 PolarHBondContact O-N 3.01Å; Q451-T454 VanDerWaalsContact O-N 3.16Å; I452-T454 PolarHBondContact O-N 3.09Å; T454-C456 PolarHBondContact O-N 2.89Å; T454-Q457 PolarHBondContact O-N 3.35Å; T454-M458 VanDerWaalsContact CA-O 3.31Å; T454-M458 WeakPolarHBondContact CA-O 3.27Å; T454-M458 PolarHBondContact N-O 2.88Å; T454-Q459 PolarHBondContact OG1-NE2 3.2Å; T454-T487 HydrophobicContact CG2-CG2 4.2Å; T454-T487 VanDerWaalsContact OG1-CG2 3.31Å; T454-T487 WeakPolarHBondContact OG1-CG2 3.31Å
455	A	97.5	Very high	97.8	Very high	16 Å²	16	11.3 Å²	11.3	13%	0.132	6%	0.058	C	C	.	.	H	α-helix	trans	-60.6	-28.7	174.8	0	0	0	0	0	111.2	Q451 I452 Y453 Y1052 A1053	Q451-A455 WeakPolarHBondContact O-CB 3.15Å; Q451-A455 PolarHBondContact O-N 3.04Å; I452-A455 PolarHBondContact O-N 2.89Å; Y453-A455 PolarHBondContact O-N 3.45Å; A455-Y1052 CarbonylContact O-C 3.6Å; A455-Y1052 WeakPolarHBondContact O-CA 3.26Å; A455-Y1052 WeakPolarHBondContact O-CB 3.4Å; A455-A1053 HydrophobicContact CB-CB 3.83Å; A455-A1053 WeakPolarHBondContact O-CB 3.48Å; A455-A1053 PolarHBondContact O-N 2.62Å
456	C	97.9	Very high	97.7	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	22.1	175	-64.6	0	0	0	0	114.3	H419 Q423 I452 Y453 T454 M458 T1054	H419-C456 HydrophobicContact CB-CB 3.69Å; H419-C456 WeakPolarHBondContact CB-SG 3.24Å; Q423-C456 PolarHBondContact NE2-O 3.36Å; I452-C456 PolarHBondContact O-N 3.38Å; I452-C456 PolarHBondContact O-SG 3.08Å; Y453-C456 CarbonylContact O-C 3.57Å; Y453-C456 VanDerWaalsContact O-C 3.24Å; Y453-C456 WeakPolarHBondContact O-CA 3.4Å; Y453-C456 PolarHBondContact O-N 3.03Å; T454-C456 PolarHBondContact O-N 2.89Å; C456-M458 VanDerWaalsContact C-N 3.33Å; C456-M458 HydrophobicContact CB-CE 3.75Å; C456-M458 PolarHBondContact O-N 3.18Å; C456-T1054 HydrophobicContact CB-CG2 4.33Å
457	Q	96.3	Very high	97.5	Very high	52 Å²	52	11.5 Å²	11.5	24%	0.243	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.8	24.5	175.6	-57.3	175.9	80.7	0	0	115.5	Y453 T454 Y1052 T1054	Y453-Q457 PolarHBondContact O-N 3.05Å; T454-Q457 PolarHBondContact O-N 3.35Å; Q457-Y1052 VanDerWaalsContact CD-CD2 3.45Å; Q457-Y1052 HydrophobicContact CG-CD1 3.43Å; Q457-Y1052 VanDerWaalsContact CG-CD1 3.43Å; Q457-Y1052 HydrophobicContact CG-CD2 3.5Å; Q457-Y1052 HydrophobicContact CG-CE1 3.67Å; Q457-Y1052 HydrophobicContact CG-CE2 3.72Å; Q457-Y1052 HydrophobicContact CG-CG 3.35Å; Q457-T1054 PolarHBondContact NE2-OG1 2.81Å
458	M	97.6	Very high	97.3	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.076	C	C	.	.			trans	-110.9	138.7	175.6	-61.1	175	-73.3	0	0	110.7	H419 T435 A437 Y453 T454 C456	H419-M458 HydrophobicContact CB-CE 4.16Å; H419-M458 VanDerWaalsContact CE1-CE 3.48Å; H419-M458 WeakPolarHBondContact CE1-CE 3.24Å; H419-M458 WeakPolarHBondContact ND1-CE 3.39Å; T435-M458 CarbonylContact O-C 3.53Å; T435-M458 WeakPolarHBondContact O-CA 3.45Å; A437-M458 HydrophobicContact CB-SD 4.15Å; Y453-M458 CarbonylContact C-O 3.53Å; Y453-M458 VanDerWaalsContact C-O 3.32Å; Y453-M458 HydrophobicContact CD1-CE 3.91Å; Y453-M458 HydrophobicContact CG-CE 4.36Å; Y453-M458 PolarHBondContact O-N 3.43Å; T454-M458 VanDerWaalsContact CA-O 3.31Å; T454-M458 WeakPolarHBondContact CA-O 3.27Å; T454-M458 PolarHBondContact N-O 2.88Å; C456-M458 VanDerWaalsContact C-N 3.33Å; C456-M458 HydrophobicContact CB-CE 3.75Å; C456-M458 PolarHBondContact O-N 3.18Å
459	Q	96.9	Very high	97.1	Very high	85 Å²	85	15.8 Å²	15.8	40%	0.397	8%	0.076	S	C	.	.			trans	-123	-0.7	-174.2	-67.2	-62.5	-56.3	0	0	113.1	T435 T454 I489 C490	T435-Q459 PolarHBondContact O-N 2.97Å; T454-Q459 PolarHBondContact OG1-NE2 3.2Å; Q459-I489 WeakPolarHBondContact O-CB 3.07Å; Q459-C490 PolarHBondContact O-N 2.9Å; Q459-C490 VanDerWaalsContact O-N 3.14Å
460	H	97.9	Very high	96.8	Very high	17 Å²	17	18.6 Å²	18.6	8%	0.079	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	152.7	-175.2	-53.6	130.1	0	0	0	110.1	T435 E436 A437 C490 F566 N570	T435-H460 PolarHBondContact O-N 3.22Å; E436-H460 CarbonylContact C-O 3.16Å; E436-H460 VanDerWaalsContact CA-O 3.31Å; E436-H460 WeakPolarHBondContact CA-O 3.18Å; E436-H460 HydrophobicContact CB-CB 3.7Å; A437-H460 PolarHBondContact N-O 2.68Å; H460-C490 CarbonylContact C-O 3.48Å; H460-C490 VanDerWaalsContact CA-O 3.3Å; H460-C490 WeakPolarHBondContact CA-O 3.48Å; H460-F566 HydrophobicContact CB-CD1 3.72Å; H460-F566 HydrophobicContact CB-CD2 3.9Å; H460-F566 HydrophobicContact CB-CE1 3.74Å; H460-F566 HydrophobicContact CB-CE2 3.91Å; H460-F566 HydrophobicContact CB-CG 3.8Å; H460-F566 HydrophobicContact CB-CZ 3.83Å; H460-F566 AromaticContact CD2-CD1 3.87Å; H460-F566 AromaticContact CD2-CG 3.9Å; H460-F566 AromaticContact CG-CD1 3.79Å; H460-F566 AromaticContact CG-CG 3.61Å; H460-F566 AromaticContact ND1-CG 3.98Å; H460-N570 PolarHBondContact CD2-ND2 3.27Å; H460-N570 PolarHBondContact NE2-ND2 2.9Å
461	F	98.2	Very high	96.5	Very high	1 Å²	1	23.5 Å²	23.5	0%	0.004	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	133.6	177.4	175.5	-123	0	0	0	110.8	A437 L439 Y445 Y453 T463 W481 I489 C490 A491 H492 L583	A437-F461 HydrophobicContact CB-CD2 3.94Å; A437-F461 WeakPolarHBondContact O-CA 3.14Å; L439-F461 HydrophobicContact CB-CE2 4.07Å; L439-F461 HydrophobicContact CD1-CE2 4.31Å; L439-F461 HydrophobicContact CG-CE2 4.41Å; Y445-F461 HydrophobicContact CD1-CE1 4.32Å; Y445-F461 HydrophobicContact CD1-CE2 4.45Å; Y445-F461 AromaticContact CD1-CZ 3.56Å; Y445-F461 HydrophobicContact CD1-CZ 3.56Å; Y445-F461 AromaticContact CE1-CZ 3.72Å; Y445-F461 HydrophobicContact CE1-CZ 3.72Å; Y445-F461 HydrophobicContact CG-CZ 4.29Å; Y453-F461 AromaticContact CE2-CD2 3.68Å; Y453-F461 HydrophobicContact CE2-CD2 3.68Å; Y453-F461 HydrophobicContact CE2-CE2 4.07Å; Y453-F461 HydrophobicContact CE2-CG 4.2Å; F461-T463 HydrophobicContact CD1-CG2 4.38Å; F461-T463 HydrophobicContact CE1-CG2 3.45Å; F461-T463 VanDerWaalsContact CE1-CG2 3.45Å; F461-T463 VanDerWaalsContact CZ-CB 3.5Å; F461-T463 HydrophobicContact CZ-CG2 3.64Å; F461-W481 HydrophobicContact CB-CE3 4.4Å; F461-W481 AromaticContact CD1-CE3 3.44Å; F461-W481 HydrophobicContact CD1-CE3 3.44Å; F461-W481 VanDerWaalsContact CD1-CE3 3.44Å; F461-W481 HydrophobicContact CD1-CH2 4.49Å; F461-W481 AromaticContact CD1-CZ3 3.34Å; F461-W481 HydrophobicContact CD1-CZ3 3.34Å; F461-W481 HydrophobicContact CD2-CZ3 4.34Å; F461-W481 AromaticContact CE1-CE3 3.86Å; F461-W481 HydrophobicContact CE1-CE3 3.86Å; F461-W481 HydrophobicContact CE1-CH2 4.18Å; F461-W481 AromaticContact CE1-CZ3 3.39Å; F461-W481 HydrophobicContact CE1-CZ3 3.39Å; F461-W481 HydrophobicContact CE2-CZ3 4.38Å; F461-W481 HydrophobicContact CG-CE3 4.05Å; F461-W481 AromaticContact CG-CZ3 3.84Å; F461-W481 HydrophobicContact CG-CZ3 3.84Å; F461-W481 AromaticContact CZ-CZ3 3.94Å; F461-W481 HydrophobicContact CZ-CZ3 3.94Å; F461-I489 HydrophobicContact CB-CD1 3.7Å; F461-C490 PolarHBondContact N-O 3.15Å; F461-A491 HydrophobicContact CB-CB 4.39Å; F461-A491 HydrophobicContact CD1-CB 4.02Å; F461-A491 CarbonylContact O-C 3.6Å; F461-A491 WeakPolarHBondContact O-CA 3.4Å; F461-H492 PolarHBondContact O-N 3.48Å; F461-L583 HydrophobicContact CE1-CD1 4.07Å
462	M	97.6	Very high	96.4	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	131	172.3	-166.7	-70.8	-66	0	0	109.9	A437 W438 L439 P440 H492 P494 L525 L527 F566	A437-M462 PolarHBondContact O-N 2.64Å; W438-M462 HydrophobicContact CD2-CB 4.22Å; W438-M462 HydrophobicContact CD2-CE 3.4Å; W438-M462 VanDerWaalsContact CD2-CE 3.4Å; W438-M462 HydrophobicContact CE3-CB 3.84Å; W438-M462 HydrophobicContact CE3-CE 4.05Å; W438-M462 HydrophobicContact CE3-CG 4.36Å; W438-M462 HydrophobicContact CG-CE 3.78Å; W438-M462 HydrophobicContact CH2-CE 4.1Å; W438-M462 HydrophobicContact CH2-CG 4.46Å; W438-M462 HydrophobicContact CZ2-CE 3.47Å; W438-M462 VanDerWaalsContact CZ2-CE 3.47Å; W438-M462 HydrophobicContact CZ3-CB 4.13Å; W438-M462 HydrophobicContact CZ3-CE 4.35Å; W438-M462 HydrophobicContact CZ3-CG 4.28Å; L439-M462 PolarHBondContact N-O 3.2Å; P440-M462 HydrophobicContact CB-CE 4.17Å; M462-H492 WeakPolarHBondContact CA-O 3.32Å; M462-P494 HydrophobicContact CG-CG 4.24Å; M462-P494 HydrophobicContact SD-CG 3.71Å; M462-L525 HydrophobicContact CG-CD2 4Å; M462-L527 HydrophobicContact CE-CD1 3.64Å; M462-L527 HydrophobicContact SD-CD1 3.94Å; M462-F566 HydrophobicContact CB-CZ 4.2Å
463	T	97.8	Very high	96.2	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.15	C	C	.	.			trans	-148.2	162.7	170.7	-170.4	0	0	0	0	113	L439 Y445 F461 L466 H492 L493 P494	L439-T463 VanDerWaalsContact O-CB 3.26Å; L439-T463 WeakPolarHBondContact O-CB 3.44Å; L439-T463 PolarHBondContact O-OG1 3.26Å; Y445-T463 HydrophobicContact CE1-CG2 4.26Å; Y445-T463 WeakPolarHBondContact CE1-OG1 3.45Å; Y445-T463 HydrophobicContact CE2-CG2 4.33Å; Y445-T463 PolarHBondContact OH-OG1 3.22Å; F461-T463 HydrophobicContact CD1-CG2 4.38Å; F461-T463 HydrophobicContact CE1-CG2 3.45Å; F461-T463 VanDerWaalsContact CE1-CG2 3.45Å; F461-T463 VanDerWaalsContact CZ-CB 3.5Å; F461-T463 HydrophobicContact CZ-CG2 3.64Å; T463-L466 HydrophobicContact CG2-CD1 4.44Å; T463-H492 PolarHBondContact N-O 3.19Å; T463-L493 HydrophobicContact CG2-CD1 3.33Å; T463-L493 HydrophobicContact CG2-CG 4.43Å; T463-L493 WeakPolarHBondContact O-CA 3.48Å; T463-L493 WeakPolarHBondContact O-CD1 3.38Å; T463-L493 WeakPolarHBondContact O-CG 3.3Å; T463-P494 WeakPolarHBondContact O-CD 3.37Å
464	Q	96.2	Very high	96.1	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.15	C	C	.	.			trans	-122.4	-32.5	-179.5	-171.3	60.5	65.7	0	0	113.6	P440 L466 S467 P494 Y499	P440-Q464 HydrophobicContact CB-CB 4.33Å; P440-Q464 WeakPolarHBondContact O-CA 3.4Å; P440-Q464 WeakPolarHBondContact O-CB 3.45Å; P440-Q464 PolarHBondContact O-N 3.39Å; P440-Q464 VanDerWaalsContact O-N 3.12Å; Q464-L466 VanDerWaalsContact C-N 3.28Å; Q464-L466 PolarHBondContact O-N 3.23Å; Q464-L466 VanDerWaalsContact O-N 3.1Å; Q464-S467 PolarHBondContact NE2-OG 3.01Å; Q464-S467 WeakPolarHBondContact O-CB 3.21Å; Q464-S467 PolarHBondContact O-N 3Å; Q464-S467 PolarHBondContact O-OG 2.87Å; Q464-P494 PolarHBondContact NE2-O 3.02Å; Q464-P494 VanDerWaalsContact OE1-CB 3.31Å; Q464-P494 PolarHBondContact OE1-O 3.27Å; Q464-Y499 HydrophobicContact CB-CD1 3.85Å; Q464-Y499 HydrophobicContact CG-CD1 3.86Å
465	K	95.5	Very high	95.9	Very high	9 Å²	9	30.8 Å²	30.8	4%	0.039	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-60.4	-28.4	-164.8	-152.5	62.1	157.8	-164.9	0	115.2	P440 D441 T442 F443 Y445 S467 W468 L585 H588	P440-K465 PolarHBondContact O-N 3.33Å; D441-K465 VanDerWaalsContact OD1-CD 3.23Å; D441-K465 WeakPolarHBondContact OD1-CD 3.35Å; D441-K465 WeakPolarHBondContact OD1-CE 3.26Å; D441-K465 IonicContact OD1-NZ 3.59Å; D441-K465 PolarHBondContact OD1-NZ 3.49Å; D441-K465 IonicContact OD2-NZ 3.66Å; D441-K465 PolarHBondContact OD2-NZ 2.79Å; T442-K465 WeakPolarHBondContact O-CB 3.34Å; F443-K465 HydrophobicContact CD1-CG 4.37Å; Y445-K465 WeakPolarHBondContact OH-CB 3.24Å; K465-S467 PolarHBondContact O-N 2.93Å; K465-W468 HydrophobicContact CD-CD2 4.29Å; K465-W468 HydrophobicContact CD-CG 4.37Å; K465-W468 VanDerWaalsContact O-CB 3.28Å; K465-W468 WeakPolarHBondContact O-CB 3.34Å; K465-W468 PolarHBondContact O-N 2.65Å; K465-L585 HydrophobicContact CB-CD1 4.49Å; K465-L585 HydrophobicContact CG-CD1 4.14Å; K465-L585 HydrophobicContact CG-CD2 3.85Å; K465-L585 WeakPolarHBondContact O-CD1 3.38Å; K465-H588 VanDerWaalsContact CE-CE1 3.41Å; K465-H588 WeakPolarHBondContact CE-CE1 3.42Å
466	L	95.4	Very high	95.8	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-60.1	-16.9	176	-62.8	172.7	0	0	0	114.2	Y445 T463 Q464 W468 N469 F474 L493 L583 L585	Y445-L466 HydrophobicContact CD2-CD1 4.31Å; Y445-L466 HydrophobicContact CD2-CD2 4.05Å; Y445-L466 HydrophobicContact CD2-CG 4.2Å; Y445-L466 HydrophobicContact CE2-CD1 4.13Å; Y445-L466 HydrophobicContact CE2-CD2 3.74Å; Y445-L466 HydrophobicContact CE2-CG 3.65Å; T463-L466 HydrophobicContact CG2-CD1 4.44Å; Q464-L466 VanDerWaalsContact C-N 3.28Å; Q464-L466 PolarHBondContact O-N 3.23Å; Q464-L466 VanDerWaalsContact O-N 3.1Å; L466-W468 PolarHBondContact O-N 3.33Å; L466-N469 PolarHBondContact O-N 3.24Å; L466-F474 HydrophobicContact CB-CB 4.29Å; L466-F474 HydrophobicContact CB-CG 4.46Å; L466-F474 HydrophobicContact CD1-CD2 4.26Å; L466-F474 HydrophobicContact CD1-CE2 4.39Å; L466-F474 HydrophobicContact CD1-CG 4.39Å; L466-L493 HydrophobicContact CB-CD2 3.81Å; L466-L493 HydrophobicContact CD1-CD1 4.12Å; L466-L583 HydrophobicContact CD1-CB 3.77Å; L466-L583 HydrophobicContact CD1-CD1 4.03Å; L466-L583 HydrophobicContact CD1-CD2 4.13Å; L466-L583 HydrophobicContact CD1-CG 4.2Å; L466-L583 HydrophobicContact CD2-CB 4.22Å; L466-L585 HydrophobicContact CD2-CB 4.41Å; L466-L585 HydrophobicContact CD2-CD1 4.45Å
467	S	94.5	Very high	95.8	Very high	11 Å²	11	30.9 Å²	30.9	8%	0.077	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-65.3	-18.7	171.4	56.7	0	0	0	0	113.3	Q464 K465 K473 D497	Q464-S467 PolarHBondContact NE2-OG 3.01Å; Q464-S467 WeakPolarHBondContact O-CB 3.21Å; Q464-S467 PolarHBondContact O-N 3Å; Q464-S467 PolarHBondContact O-OG 2.87Å; K465-S467 PolarHBondContact O-N 2.93Å; S467-K473 PolarHBondContact O-NZ 3.02Å; S467-D497 WeakPolarHBondContact CB-OD1 3.36Å
468	W	94	Very high	95.8	Very high	89 Å²	89	28.4 Å²	28.4	34%	0.337	15%	0.146	S	C	.	.	G	3₁₀ helix	trans	-87.6	-2.4	-177.6	-70.3	37.3	0	0	0	114	K465 L466 V470 M587 W780	K465-W468 HydrophobicContact CD-CD2 4.29Å; K465-W468 HydrophobicContact CD-CG 4.37Å; K465-W468 VanDerWaalsContact O-CB 3.28Å; K465-W468 WeakPolarHBondContact O-CB 3.34Å; K465-W468 PolarHBondContact O-N 2.65Å; L466-W468 PolarHBondContact O-N 3.33Å; W468-V470 PolarHBondContact O-N 3.22Å; W468-M587 HydrophobicContact CB-SD 4.26Å; W468-M587 HydrophobicContact CE3-SD 4.3Å; W468-W780 AromaticContact CE3-CH2 3.97Å; W468-W780 HydrophobicContact CE3-CH2 3.97Å; W468-W780 HydrophobicContact CE3-CZ3 4.04Å; W468-W780 HydrophobicContact CH2-CH2 4.24Å; W468-W780 AromaticContact CZ3-CH2 3.38Å; W468-W780 HydrophobicContact CZ3-CH2 3.38Å; W468-W780 AromaticContact CZ3-CZ2 3.97Å; W468-W780 HydrophobicContact CZ3-CZ2 3.97Å; W468-W780 AromaticContact CZ3-CZ3 3.77Å; W468-W780 HydrophobicContact CZ3-CZ3 3.77Å
469	N	94.3	Very high	95.8	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.146	C	C	.	.			trans	-47.9	129	173.4	-78.5	-2.1	0	0	0	111.2	L466 N472 K473 E586	L466-N469 PolarHBondContact O-N 3.24Å; N469-N472 WeakPolarHBondContact CB-O 3.34Å; N469-N472 PolarHBondContact ND2-O 3.18Å; N469-K473 PolarHBondContact O-NZ 2.7Å; N469-E586 HydrophobicContact CB-CB 4.13Å; N469-E586 HydrophobicContact CB-CG 4.19Å; N469-E586 PolarHBondContact OD1-N 3.14Å
470	V	91.6	Very high	95.9	Very high	61 Å²	61	24.6 Å²	24.6	37%	0.37	13%	0.128	S	C	.	.	S	Bend	trans	-70.6	-47.2	-171.4	-179.6	0	0	0	0	110.9	W468 M587	W468-V470 PolarHBondContact O-N 3.22Å; V470-M587 HydrophobicContact CG2-CE 4.11Å; V470-M587 HydrophobicContact CG2-CG 4.45Å; V470-M587 HydrophobicContact CG2-SD 4.15Å
471	V	93.5	Very high	95.9	Very high	103 Å²	103	23.8 Å²	23.8	62%	0.624	12%	0.124	S	C	*	.	S	Bend	trans	-106	-57.8	-174.3	-178.8	0	0	0	0	110.9	K473	V471-K473 PolarHBondContact O-N 3.42Å
472	N	95.9	Very high	95.9	Very high	15 Å²	15	28 Å²	28	8%	0.08	14%	0.14	C	C	.	.	S	Bend	trans	-94	96.5	-175.7	-51.9	-73.1	0	0	0	111.2	N469 F474 E586 S886 W887	N469-N472 WeakPolarHBondContact CB-O 3.34Å; N469-N472 PolarHBondContact ND2-O 3.18Å; N472-F474 PolarHBondContact O-N 3.48Å; N472-F474 VanDerWaalsContact O-N 3.15Å; N472-E586 WeakPolarHBondContact CB-OE1 3.42Å; N472-E586 PolarHBondContact N-OE2 2.76Å; N472-E586 VanDerWaalsContact ND2-CD 3.29Å; N472-E586 PolarHBondContact ND2-OE1 3.37Å; N472-E586 PolarHBondContact ND2-OE2 3.42Å; N472-S886 PolarHBondContact ND2-O 2.81Å; N472-S886 WeakPolarHBondContact OD1-CB 3.42Å; N472-S886 PolarHBondContact OD1-OG 2.81Å; N472-W887 HydrophobicContact CB-CD2 3.84Å; N472-W887 HydrophobicContact CB-CE3 4.04Å; N472-W887 HydrophobicContact CB-CH2 3.88Å; N472-W887 HydrophobicContact CB-CZ2 3.64Å; N472-W887 HydrophobicContact CB-CZ3 4.07Å; N472-W887 PolarHBondContact ND2-N 2.94Å
473	K	94.5	Very high	96	Very high	124 Å²	124	28 Å²	28	54%	0.539	14%	0.14	S	C	.	.			trans	-59.3	121	169.7	-61	-52.9	-176.6	-171.8	0	109.5	S467 N469 V471	S467-K473 PolarHBondContact O-NZ 3.02Å; N469-K473 PolarHBondContact O-NZ 2.7Å; V471-K473 PolarHBondContact O-N 3.42Å
474	F	95.9	Very high	96	Very high	2 Å²	2	29.7 Å²	29.7	1%	0.009	15%	0.149	C	C	.	.			trans	-53.2	133	-178.2	-171.8	-101.8	0	0	0	110.7	L466 N472 N476 F479 L493 K516 W579 L583 W887	L466-F474 HydrophobicContact CB-CB 4.29Å; L466-F474 HydrophobicContact CB-CG 4.46Å; L466-F474 HydrophobicContact CD1-CD2 4.26Å; L466-F474 HydrophobicContact CD1-CE2 4.39Å; L466-F474 HydrophobicContact CD1-CG 4.39Å; N472-F474 PolarHBondContact O-N 3.48Å; N472-F474 VanDerWaalsContact O-N 3.15Å; F474-N476 VanDerWaalsContact C-N 3.33Å; F474-N476 VanDerWaalsContact CD1-O 3.24Å; F474-N476 WeakPolarHBondContact CD1-O 3.14Å; F474-N476 HydrophobicContact CE1-CB 4.04Å; F474-N476 PolarHBondContact O-N 2.75Å; F474-F479 AromaticContact CE1-CD1 3.97Å; F474-F479 HydrophobicContact CE1-CD1 3.97Å; F474-F479 AromaticContact CE1-CE1 3.52Å; F474-F479 HydrophobicContact CE1-CE1 3.52Å; F474-F479 HydrophobicContact CE1-CE2 4.38Å; F474-F479 AromaticContact CE1-CZ 3.74Å; F474-F479 HydrophobicContact CE1-CZ 3.74Å; F474-F479 HydrophobicContact CZ-CE1 4.02Å; F474-F479 HydrophobicContact CZ-CE2 4.05Å; F474-F479 AromaticContact CZ-CZ 3.75Å; F474-F479 HydrophobicContact CZ-CZ 3.75Å; F474-L493 HydrophobicContact CD1-CD2 4.22Å; F474-K516 WeakPolarHBondContact O-CD 3.17Å; F474-K516 WeakPolarHBondContact O-CE 3.31Å; F474-K516 PolarHBondContact O-NZ 2.85Å; F474-W579 HydrophobicContact CD2-CH2 4.43Å; F474-W579 HydrophobicContact CD2-CZ3 4.41Å; F474-W579 AromaticContact CE2-CD2 3.8Å; F474-W579 HydrophobicContact CE2-CD2 3.8Å; F474-W579 AromaticContact CE2-CE2 3.97Å; F474-W579 AromaticContact CE2-CE3 3.68Å; F474-W579 HydrophobicContact CE2-CE3 3.68Å; F474-W579 AromaticContact CE2-CH2 3.92Å; F474-W579 HydrophobicContact CE2-CH2 3.92Å; F474-W579 HydrophobicContact CE2-CZ2 4.03Å; F474-W579 AromaticContact CE2-CZ3 3.74Å; F474-W579 HydrophobicContact CE2-CZ3 3.74Å; F474-W579 AromaticContact CZ-CD2 3.99Å; F474-W579 HydrophobicContact CZ-CD2 3.99Å; F474-W579 AromaticContact CZ-CE3 3.88Å; F474-W579 HydrophobicContact CZ-CE3 3.88Å; F474-W579 HydrophobicContact CZ-CG 4.36Å; F474-W579 HydrophobicContact CZ-CZ3 4.34Å; F474-L583 HydrophobicContact CE2-CD2 3.61Å; F474-L583 HydrophobicContact CZ-CD2 3.63Å; F474-W887 HydrophobicContact CD2-CH2 4.45Å
475	P	95.3	Very high	96.1	Very high	61 Å²	61	31.2 Å²	31.2	40%	0.396	16%	0.157	S	C	.	.	S	Bend	trans	-77.4	-12.6	-163.1	26	-33.4	0	0	0	115.3	K516 W579	P475-K516 WeakPolarHBondContact O-CB 3.44Å; P475-W579 HydrophobicContact CG-CE3 4.48Å; P475-W579 HydrophobicContact CG-CZ3 3.95Å
476	N	96	Very high	96.2	Very high	16 Å²	16	32.6 Å²	32.6	9%	0.086	17%	0.174	C	C	.	.			trans	-128.4	154.4	-171.7	-50.8	-57.6	0	0	0	112.5	F474 F479 D517 V577	F474-N476 VanDerWaalsContact C-N 3.33Å; F474-N476 VanDerWaalsContact CD1-O 3.24Å; F474-N476 WeakPolarHBondContact CD1-O 3.14Å; F474-N476 HydrophobicContact CE1-CB 4.04Å; F474-N476 PolarHBondContact O-N 2.75Å; N476-F479 HydrophobicContact CB-CB 4.03Å; N476-F479 HydrophobicContact CB-CD1 3.92Å; N476-F479 HydrophobicContact CB-CG 4.21Å; N476-D517 WeakPolarHBondContact CA-OD2 3.25Å; N476-D517 PolarHBondContact OD1-OD1 3.3Å; N476-V577 HydrophobicContact CB-CG2 4.22Å; N476-V577 WeakPolarHBondContact ND2-CG2 3.45Å; N476-V577 VanDerWaalsContact OD1-CG2 3.25Å; N476-V577 WeakPolarHBondContact OD1-CG2 3.17Å
477	S	96.7	Very high	96.4	Very high	3 Å²	3	34.2 Å²	34.2	2%	0.021	18%	0.184	C	C	.	.	S	Bend	trans	-106.4	-33.8	168.7	-61.2	0	0	0	0	111.4	H492 L493 K516 D517	S477-H492 CarbonylContact O-C 3.45Å; S477-H492 WeakPolarHBondContact O-CA 3.5Å; S477-H492 PolarHBondContact O-ND1 2.78Å; S477-L493 PolarHBondContact O-N 3.3Å; S477-K516 PolarHBondContact OG-N 3.15Å; S477-K516 VanDerWaalsContact OG-N 3.13Å; S477-D517 PolarHBondContact N-OD2 2.78Å
478	S	97	Very high	96.6	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	120.2	176.5	-59.7	0	0	0	0	109.5	A491 H492 D517	S478-A491 WeakPolarHBondContact CA-O 3.35Å; S478-H492 PolarHBondContact OG-CE1 3.25Å; S478-H492 PolarHBondContact OG-ND1 2.97Å; S478-D517 PolarHBondContact N-OD2 3.26Å
479	F	97.4	Very high	96.8	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	163.6	-171.4	60.8	-78.5	0	0	0	111.6	F474 N476 W481 A491 L493 V577 W579 L583	F474-F479 AromaticContact CE1-CD1 3.97Å; F474-F479 HydrophobicContact CE1-CD1 3.97Å; F474-F479 AromaticContact CE1-CE1 3.52Å; F474-F479 HydrophobicContact CE1-CE1 3.52Å; F474-F479 HydrophobicContact CE1-CE2 4.38Å; F474-F479 AromaticContact CE1-CZ 3.74Å; F474-F479 HydrophobicContact CE1-CZ 3.74Å; F474-F479 HydrophobicContact CZ-CE1 4.02Å; F474-F479 HydrophobicContact CZ-CE2 4.05Å; F474-F479 AromaticContact CZ-CZ 3.75Å; F474-F479 HydrophobicContact CZ-CZ 3.75Å; N476-F479 HydrophobicContact CB-CB 4.03Å; N476-F479 HydrophobicContact CB-CD1 3.92Å; N476-F479 HydrophobicContact CB-CG 4.21Å; F479-W481 HydrophobicContact CD2-CB 4.27Å; F479-W481 HydrophobicContact CE2-CB 3.87Å; F479-W481 HydrophobicContact CE2-CG 4.31Å; F479-A491 HydrophobicContact CD1-CB 4.19Å; F479-A491 HydrophobicContact CD2-CB 4.09Å; F479-A491 HydrophobicContact CE1-CB 3.73Å; F479-A491 HydrophobicContact CE2-CB 3.65Å; F479-A491 HydrophobicContact CG-CB 4.35Å; F479-A491 HydrophobicContact CZ-CB 3.45Å; F479-A491 VanDerWaalsContact CZ-CB 3.45Å; F479-A491 PolarHBondContact N-O 3.14Å; F479-A491 PolarHBondContact O-N 2.69Å; F479-L493 HydrophobicContact CE1-CD1 4.4Å; F479-V577 HydrophobicContact CB-CG2 3.9Å; F479-V577 WeakPolarHBondContact CB-O 3.46Å; F479-W579 HydrophobicContact CD2-CB 3.76Å; F479-W579 HydrophobicContact CE2-CB 3.93Å; F479-L583 HydrophobicContact CE2-CD1 4.45Å; F479-L583 HydrophobicContact CE2-CD2 3.99Å; F479-L583 HydrophobicContact CZ-CD1 4.18Å; F479-L583 HydrophobicContact CZ-CD2 4.04Å
480	I	98.2	Very high	96.9	Very high	4 Å²	4	32.2 Å²	32.2	2%	0.021	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	119	168	-62.4	-48.7	0	0	0	108.5	E488 I489 R573 M576 V577 T578 W579	I480-E488 HydrophobicContact CG2-CB 3.72Å; I480-E488 HydrophobicContact CG2-CG 3.8Å; I480-I489 WeakPolarHBondContact CA-O 3.27Å; I480-R573 HydrophobicContact CD1-CG 3.96Å; I480-R573 VanDerWaalsContact CD1-CZ 3.42Å; I480-R573 HydrophobicContact CG1-CG 4.36Å; I480-M576 HydrophobicContact CD1-CE 3.43Å; I480-M576 VanDerWaalsContact CD1-CE 3.43Å; I480-M576 HydrophobicContact CG1-CB 4.18Å; I480-M576 HydrophobicContact CG1-CE 4.16Å; I480-V577 PolarHBondContact N-O 2.99Å; I480-T578 HydrophobicContact CB-CG2 4.48Å; I480-T578 HydrophobicContact CG2-CG2 4.26Å; I480-T578 CarbonylContact O-C 3.24Å; I480-T578 VanDerWaalsContact O-CA 3.25Å; I480-T578 WeakPolarHBondContact O-CA 3.46Å; I480-W579 PolarHBondContact O-N 2.79Å
481	W	98.6	Very high	97.2	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	115.2	173.4	-174.2	17.2	0	0	0	109.2	S446 L449 P450 Y453 F461 F479 E488 I489 A491 G581 L583	S446-W481 WeakPolarHBondContact O-CZ2 3.5Å; L449-W481 HydrophobicContact CB-CH2 3.44Å; L449-W481 VanDerWaalsContact CB-CH2 3.44Å; L449-W481 HydrophobicContact CB-CZ2 4.05Å; L449-W481 HydrophobicContact CB-CZ3 4.08Å; L449-W481 HydrophobicContact CD1-CH2 3.8Å; L449-W481 HydrophobicContact CG-CH2 4.25Å; P450-W481 HydrophobicContact CG-CB 4.46Å; P450-W481 HydrophobicContact CG-CD2 3.46Å; P450-W481 VanDerWaalsContact CG-CD2 3.46Å; P450-W481 HydrophobicContact CG-CE3 3.92Å; P450-W481 HydrophobicContact CG-CG 3.72Å; P450-W481 HydrophobicContact CG-CH2 4.49Å; P450-W481 HydrophobicContact CG-CZ2 4.09Å; P450-W481 HydrophobicContact CG-CZ3 4.4Å; Y453-W481 HydrophobicContact CE2-CZ3 4.04Å; F461-W481 HydrophobicContact CB-CE3 4.4Å; F461-W481 AromaticContact CD1-CE3 3.44Å; F461-W481 HydrophobicContact CD1-CE3 3.44Å; F461-W481 VanDerWaalsContact CD1-CE3 3.44Å; F461-W481 HydrophobicContact CD1-CH2 4.49Å; F461-W481 AromaticContact CD1-CZ3 3.34Å; F461-W481 HydrophobicContact CD1-CZ3 3.34Å; F461-W481 HydrophobicContact CD2-CZ3 4.34Å; F461-W481 AromaticContact CE1-CE3 3.86Å; F461-W481 HydrophobicContact CE1-CE3 3.86Å; F461-W481 HydrophobicContact CE1-CH2 4.18Å; F461-W481 AromaticContact CE1-CZ3 3.39Å; F461-W481 HydrophobicContact CE1-CZ3 3.39Å; F461-W481 HydrophobicContact CE2-CZ3 4.38Å; F461-W481 HydrophobicContact CG-CE3 4.05Å; F461-W481 AromaticContact CG-CZ3 3.84Å; F461-W481 HydrophobicContact CG-CZ3 3.84Å; F461-W481 AromaticContact CZ-CZ3 3.94Å; F461-W481 HydrophobicContact CZ-CZ3 3.94Å; F479-W481 HydrophobicContact CD2-CB 4.27Å; F479-W481 HydrophobicContact CE2-CB 3.87Å; F479-W481 HydrophobicContact CE2-CG 4.31Å; W481-E488 WeakPolarHBondContact O-CA 3.35Å; W481-I489 HydrophobicContact CB-CG1 4.13Å; W481-I489 HydrophobicContact CE3-CD1 3.89Å; W481-I489 HydrophobicContact CE3-CG1 4.3Å; W481-I489 HydrophobicContact CZ3-CD1 4.42Å; W481-I489 PolarHBondContact N-O 3.4Å; W481-I489 PolarHBondContact O-N 3.18Å; W481-A491 HydrophobicContact CB-CB 3.97Å; W481-G581 PolarHBondContact NE1-O 2.82Å; W481-L583 HydrophobicContact CD2-CD1 3.78Å; W481-L583 HydrophobicContact CD2-CG 4.38Å; W481-L583 HydrophobicContact CE3-CD1 3.99Å; W481-L583 HydrophobicContact CG-CD1 4.39Å; W481-L583 HydrophobicContact CH2-CD1 3.96Å; W481-L583 HydrophobicContact CZ2-CD1 3.78Å; W481-L583 HydrophobicContact CZ2-CG 4.02Å; W481-L583 HydrophobicContact CZ3-CD1 4.08Å
482	R	98.7	Very high	97.4	Very high	90 Å²	90	24.5 Å²	24.5	34%	0.34	13%	0.13	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	124.1	179.1	-169	-177.1	-64.3	165.9	-1.1	110.1	G486 T487 E488 T578 W579 V580 G581	R482-G486 WeakPolarHBondContact CG-O 3.37Å; R482-T487 CarbonylContact C-O 3.42Å; R482-T487 VanDerWaalsContact CA-O 3.23Å; R482-T487 WeakPolarHBondContact CA-O 3.5Å; R482-E488 HydrophobicContact CB-CG 4.07Å; R482-E488 HydrophobicContact CG-CG 3.86Å; R482-E488 IonicContact CZ-OE1 2.74Å; R482-E488 IonicContact NE-OE1 3.27Å; R482-E488 PolarHBondContact NE-OE1 2.84Å; R482-E488 IonicContact NH2-OE1 2.84Å; R482-E488 PolarHBondContact NH2-OE1 3.5Å; R482-T578 HydrophobicContact CB-CG2 3.8Å; R482-W579 PolarHBondContact N-O 2.82Å; R482-V580 HydrophobicContact CB-CG2 4.22Å; R482-V580 CarbonylContact O-C 3.55Å; R482-V580 WeakPolarHBondContact O-CA 3.05Å; R482-G581 PolarHBondContact O-N 3.28Å
483	G	98.6	Very high	97.5	Very high	1 Å²	1	24 Å²	24	1%	0.01	13%	0.127	C	C	.	.			trans	-68.3	171.7	174.6	0	0	0	0	0	112.4	G447 D485 G486 T487	G447-G483 CarbonylContact O-C 3.45Å; G447-G483 WeakPolarHBondContact O-CA 3.39Å; G483-D485 PolarHBondContact O-N 3.3Å; G483-G486 PolarHBondContact O-N 2.86Å; G483-G486 VanDerWaalsContact O-N 3.11Å; G483-T487 PolarHBondContact N-O 3.2Å
484	I	98.3	Very high	97.6	Very high	35 Å²	35	18.1 Å²	18.1	18%	0.179	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-21.9	177.4	63.2	168.9	0	0	0	113.2	G447 Q448 I872 V877 F1076	G447-I484 PolarHBondContact O-N 3.03Å; Q448-I484 HydrophobicContact CG-CD1 3.66Å; Q448-I484 HydrophobicContact CG-CG1 3.68Å; I484-I872 HydrophobicContact CD1-CD1 4.14Å; I484-V877 HydrophobicContact CG2-CG1 4.03Å; I484-F1076 HydrophobicContact CB-CD2 4.01Å; I484-F1076 HydrophobicContact CB-CE2 4.36Å; I484-F1076 HydrophobicContact CD1-CB 3.94Å; I484-F1076 HydrophobicContact CD1-CD1 3.8Å; I484-F1076 HydrophobicContact CD1-CD2 3.58Å; I484-F1076 HydrophobicContact CD1-CE1 4.13Å; I484-F1076 HydrophobicContact CD1-CE2 3.91Å; I484-F1076 HydrophobicContact CD1-CG 3.5Å; I484-F1076 HydrophobicContact CD1-CZ 4.16Å; I484-F1076 HydrophobicContact CG1-CB 3.95Å; I484-F1076 HydrophobicContact CG1-CD2 3.75Å; I484-F1076 HydrophobicContact CG1-CE2 4.37Å; I484-F1076 HydrophobicContact CG1-CG 3.89Å
485	D	98.5	Very high	97.6	Very high	31 Å²	31	18.1 Å²	18.1	17%	0.166	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-13.9	175.7	75.2	-50.3	0	0	0	112.8	Q451 G483 T487 P1075 F1076	Q451-D485 WeakPolarHBondContact CG-OD2 3.04Å; Q451-D485 PolarHBondContact NE2-OD2 2.91Å; G483-D485 PolarHBondContact O-N 3.3Å; D485-T487 WeakPolarHBondContact OD1-CB 3.45Å; D485-T487 PolarHBondContact OD1-N 3.32Å; D485-T487 VanDerWaalsContact OD2-CB 3.27Å; D485-T487 WeakPolarHBondContact OD2-CB 3.47Å; D485-T487 PolarHBondContact OD2-N 3.11Å; D485-T487 PolarHBondContact OD2-OG1 3.45Å; D485-P1075 WeakPolarHBondContact CA-O 3.43Å; D485-P1075 WeakPolarHBondContact CB-O 3.45Å; D485-F1076 HydrophobicContact CB-CB 4.03Å
486	G	98.2	Very high	97.6	Very high	39 Å²	39	15.2 Å²	15.2	40%	0.402	8%	0.084	S	C	.	.	S	Bend	trans	99.4	-4.6	-175.1	0	0	0	0	0	115.3	R482 G483 E488	R482-G486 WeakPolarHBondContact CG-O 3.37Å; G483-G486 PolarHBondContact O-N 2.86Å; G483-G486 VanDerWaalsContact O-N 3.11Å; G486-E488 PolarHBondContact O-N 3.23Å
487	T	98.6	Very high	97.5	Very high	33 Å²	33	16.7 Å²	16.7	20%	0.202	9%	0.091	C	C	.	.			trans	-61.9	135.7	175.3	-71.4	0	0	0	0	110.8	P450 T454 R482 G483 D485	P450-T487 HydrophobicContact CB-CG2 4.48Å; T454-T487 HydrophobicContact CG2-CG2 4.2Å; T454-T487 VanDerWaalsContact OG1-CG2 3.31Å; T454-T487 WeakPolarHBondContact OG1-CG2 3.31Å; R482-T487 CarbonylContact C-O 3.42Å; R482-T487 VanDerWaalsContact CA-O 3.23Å; R482-T487 WeakPolarHBondContact CA-O 3.5Å; G483-T487 PolarHBondContact N-O 3.2Å; D485-T487 WeakPolarHBondContact OD1-CB 3.45Å; D485-T487 PolarHBondContact OD1-N 3.32Å; D485-T487 VanDerWaalsContact OD2-CB 3.27Å; D485-T487 WeakPolarHBondContact OD2-CB 3.47Å; D485-T487 PolarHBondContact OD2-N 3.11Å; D485-T487 PolarHBondContact OD2-OG1 3.45Å
488	E	98.3	Very high	97.4	Very high	58 Å²	58	18 Å²	18	27%	0.271	10%	0.1	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	126.1	-176.9	-67.2	-168.9	156.5	0	0	113.7	I480 W481 R482 G486 R573	I480-E488 HydrophobicContact CG2-CB 3.72Å; I480-E488 HydrophobicContact CG2-CG 3.8Å; W481-E488 WeakPolarHBondContact O-CA 3.35Å; R482-E488 HydrophobicContact CB-CG 4.07Å; R482-E488 HydrophobicContact CG-CG 3.86Å; R482-E488 IonicContact CZ-OE1 2.74Å; R482-E488 IonicContact NE-OE1 3.27Å; R482-E488 PolarHBondContact NE-OE1 2.84Å; R482-E488 IonicContact NH2-OE1 2.84Å; R482-E488 PolarHBondContact NH2-OE1 3.5Å; G486-E488 PolarHBondContact O-N 3.23Å; E488-R573 PolarHBondContact O-NH2 2.8Å; E488-R573 IonicContact OE2-CZ 3.28Å; E488-R573 IonicContact OE2-NH2 3.25Å; E488-R573 PolarHBondContact OE2-NH2 3.33Å
489	I	98.2	Very high	97.3	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	160.2	172	64.8	172	0	0	0	111.6	P450 Y453 Q459 F461 I480 W481	P450-I489 HydrophobicContact CB-CD1 4.24Å; P450-I489 HydrophobicContact CB-CG1 4.05Å; P450-I489 HydrophobicContact CB-CG2 4.48Å; P450-I489 HydrophobicContact CG-CD1 4.41Å; P450-I489 HydrophobicContact CG-CG1 4.35Å; Y453-I489 HydrophobicContact CD2-CD1 3.68Å; Y453-I489 HydrophobicContact CE2-CD1 4.41Å; Q459-I489 WeakPolarHBondContact O-CB 3.07Å; F461-I489 HydrophobicContact CB-CD1 3.7Å; I480-I489 WeakPolarHBondContact CA-O 3.27Å; W481-I489 HydrophobicContact CB-CG1 4.13Å; W481-I489 HydrophobicContact CE3-CD1 3.89Å; W481-I489 HydrophobicContact CE3-CG1 4.3Å; W481-I489 HydrophobicContact CZ3-CD1 4.42Å; W481-I489 PolarHBondContact N-O 3.4Å; W481-I489 PolarHBondContact O-N 3.18Å
490	C	97.8	Very high	97.2	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	119.4	173.8	-176	0	0	0	0	110.2	Q459 H460 F461 N570	Q459-C490 PolarHBondContact O-N 2.9Å; Q459-C490 VanDerWaalsContact O-N 3.14Å; H460-C490 CarbonylContact C-O 3.48Å; H460-C490 VanDerWaalsContact CA-O 3.3Å; H460-C490 WeakPolarHBondContact CA-O 3.48Å; F461-C490 PolarHBondContact N-O 3.15Å; C490-N570 WeakPolarHBondContact CB-OD1 3.49Å; C490-N570 PolarHBondContact SG-OD1 3Å
491	A	97.9	Very high	97.1	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	140.1	178.1	0	0	0	0	0	111	F461 S478 F479 W481	F461-A491 HydrophobicContact CB-CB 4.39Å; F461-A491 HydrophobicContact CD1-CB 4.02Å; F461-A491 CarbonylContact O-C 3.6Å; F461-A491 WeakPolarHBondContact O-CA 3.4Å; S478-A491 WeakPolarHBondContact CA-O 3.35Å; F479-A491 HydrophobicContact CD1-CB 4.19Å; F479-A491 HydrophobicContact CD2-CB 4.09Å; F479-A491 HydrophobicContact CE1-CB 3.73Å; F479-A491 HydrophobicContact CE2-CB 3.65Å; F479-A491 HydrophobicContact CG-CB 4.35Å; F479-A491 HydrophobicContact CZ-CB 3.45Å; F479-A491 VanDerWaalsContact CZ-CB 3.45Å; F479-A491 PolarHBondContact N-O 3.14Å; F479-A491 PolarHBondContact O-N 2.69Å; W481-A491 HydrophobicContact CB-CB 3.97Å
492	H	97.4	Very high	97	Very high	2 Å²	2	25 Å²	25	1%	0.009	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	127.2	174.9	-171.5	54	0	0	0	111.8	F461 M462 T463 S477 S478 L525 F566 I569	F461-H492 PolarHBondContact O-N 3.48Å; M462-H492 WeakPolarHBondContact CA-O 3.32Å; T463-H492 PolarHBondContact N-O 3.19Å; S477-H492 CarbonylContact O-C 3.45Å; S477-H492 WeakPolarHBondContact O-CA 3.5Å; S477-H492 PolarHBondContact O-ND1 2.78Å; S478-H492 PolarHBondContact OG-CE1 3.25Å; S478-H492 PolarHBondContact OG-ND1 2.97Å; H492-L525 PolarHBondContact NE2-N 3.3Å; H492-F566 HydrophobicContact CB-CE1 3.95Å; H492-F566 HydrophobicContact CB-CZ 4.35Å; H492-I569 HydrophobicContact CB-CD1 4.13Å
493	L	96.9	Very high	96.8	Very high	4 Å²	4	20.8 Å²	20.8	2%	0.021	12%	0.12	C	C	.	.			trans	-102.3	111.3	167.6	-113.7	75.5	0	0	0	108.9	T463 L466 F474 S477 F479 P495	T463-L493 HydrophobicContact CG2-CD1 3.33Å; T463-L493 HydrophobicContact CG2-CG 4.43Å; T463-L493 WeakPolarHBondContact O-CA 3.48Å; T463-L493 WeakPolarHBondContact O-CD1 3.38Å; T463-L493 WeakPolarHBondContact O-CG 3.3Å; L466-L493 HydrophobicContact CB-CD2 3.81Å; L466-L493 HydrophobicContact CD1-CD1 4.12Å; F474-L493 HydrophobicContact CD1-CD2 4.22Å; S477-L493 PolarHBondContact O-N 3.3Å; F479-L493 HydrophobicContact CE1-CD1 4.4Å; L493-P495 WeakPolarHBondContact O-CD 3.29Å
494	P	96.8	Very high	96.7	Very high	2 Å²	2	22.3 Å²	22.3	1%	0.013	13%	0.131	C	C	.	.			trans	-56	123.5	175	-23.3	33.4	0	0	0	110.4	M462 T463 Q464 G496 D497 L525 L527	M462-P494 HydrophobicContact CG-CG 4.24Å; M462-P494 HydrophobicContact SD-CG 3.71Å; T463-P494 WeakPolarHBondContact O-CD 3.37Å; Q464-P494 PolarHBondContact NE2-O 3.02Å; Q464-P494 VanDerWaalsContact OE1-CB 3.31Å; Q464-P494 PolarHBondContact OE1-O 3.27Å; P494-G496 PolarHBondContact O-N 3.05Å; P494-D497 PolarHBondContact O-N 3.4Å; P494-L525 HydrophobicContact CG-CB 4.41Å; P494-L525 HydrophobicContact CG-CD2 4.24Å; P494-L527 HydrophobicContact CG-CD1 4.03Å; P494-L527 HydrophobicContact CG-CG 4.39Å
495	P	96.6	Very high	96.6	Very high	2 Å²	2	20.8 Å²	20.8	1%	0.013	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-8.7	-172	-10.7	24	0	0	0	113.8	L493 D497 T511 N514 F515 A524	L493-P495 WeakPolarHBondContact O-CD 3.29Å; P495-D497 PolarHBondContact O-N 3.44Å; P495-D497 VanDerWaalsContact O-N 3.09Å; P495-T511 HydrophobicContact CB-CG2 4.31Å; P495-T511 WeakPolarHBondContact CB-O 3.28Å; P495-T511 HydrophobicContact CG-CG2 4.08Å; P495-N514 HydrophobicContact CB-CB 4.27Å; P495-N514 WeakPolarHBondContact O-CB 3.2Å; P495-F515 HydrophobicContact CB-CB 4.43Å; P495-F515 HydrophobicContact CB-CD2 4.35Å; P495-F515 HydrophobicContact CG-CB 4.35Å; P495-F515 HydrophobicContact CG-CD2 3.49Å; P495-F515 VanDerWaalsContact CG-CD2 3.49Å; P495-F515 HydrophobicContact CG-CE2 4.25Å; P495-F515 HydrophobicContact CG-CG 4.42Å; P495-A524 HydrophobicContact CG-CB 3.81Å
496	G	95	Very high	96.5	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-10.7	173.4	0	0	0	0	0	113.6	P494 S498 K510	P494-G496 PolarHBondContact O-N 3.05Å; G496-S498 PolarHBondContact O-N 3.1Å; G496-K510 WeakPolarHBondContact O-CE 3.45Å; G496-K510 PolarHBondContact O-NZ 2.98Å
497	D	93.9	Very high	96.5	Very high	47 Å²	47	20.3 Å²	20.3	25%	0.251	12%	0.118	S	C	.	.	S	Bend	trans	57.4	26.8	-176.2	-59.6	-42.4	0	0	0	112.6	S467 P494 P495 N514	S467-D497 WeakPolarHBondContact CB-OD1 3.36Å; P494-D497 PolarHBondContact O-N 3.4Å; P495-D497 PolarHBondContact O-N 3.44Å; P495-D497 VanDerWaalsContact O-N 3.09Å; D497-N514 PolarHBondContact OD2-ND2 3.45Å
498	S	95	Very high	96.4	Very high	29 Å²	29	18.7 Å²	18.7	20%	0.203	11%	0.109	C	C	.	.			trans	-165.6	144.1	-177.5	-177.3	0	0	0	0	110.6	G496 V500	G496-S498 PolarHBondContact O-N 3.1Å; S498-V500 WeakPolarHBondContact OG-CG2 3.36Å; S498-V500 PolarHBondContact OG-N 3.2Å
499	Y	95.1	Very high	96.3	Very high	13 Å²	13	16.5 Å²	16.5	5%	0.051	10%	0.098	C	C	.	.	S	Bend	trans	-98.4	5	167.4	54.2	-96.9	0	0	0	112.6	N327 H329 P440 D441 Q464 D532	N327-Y499 PolarHBondContact ND2-O 3.46Å; N327-Y499 PolarHBondContact OD1-O 3.16Å; H329-Y499 HydrophobicContact CB-CD2 3.81Å; H329-Y499 HydrophobicContact CB-CE2 3.76Å; H329-Y499 AromaticContact CD2-CE2 3.48Å; H329-Y499 VanDerWaalsContact CD2-CE2 3.48Å; H329-Y499 WeakPolarHBondContact CD2-CE2 3.47Å; H329-Y499 AromaticContact CD2-CZ 3.79Å; H329-Y499 AromaticContact CG-CE2 3.81Å; P440-Y499 HydrophobicContact CB-CD1 3.76Å; P440-Y499 HydrophobicContact CB-CE1 4.34Å; P440-Y499 HydrophobicContact CB-CG 4.08Å; D441-Y499 HydrophobicContact CB-CE1 4.2Å; D441-Y499 WeakPolarHBondContact OD1-CE1 3.37Å; D441-Y499 PolarHBondContact OD1-OH 3.27Å; D441-Y499 VanDerWaalsContact OD1-OH 3.12Å; Q464-Y499 HydrophobicContact CB-CD1 3.85Å; Q464-Y499 HydrophobicContact CG-CD1 3.86Å; Y499-D532 WeakPolarHBondContact CE2-OD1 3.36Å; Y499-D532 VanDerWaalsContact CZ-OD1 3.31Å; Y499-D532 PolarHBondContact OH-OD1 2.62Å
500	V	95	Very high	96.2	Very high	52 Å²	52	20.3 Å²	20.3	32%	0.315	12%	0.115	S	C	.	.			trans	-117.9	39.2	-179.7	-63.7	0	0	0	0	112.9	S498 G529 G531	S498-V500 WeakPolarHBondContact OG-CG2 3.36Å; S498-V500 PolarHBondContact OG-N 3.2Å; V500-G529 WeakPolarHBondContact CA-O 3.4Å; V500-G529 WeakPolarHBondContact CB-O 3.4Å; V500-G531 VanDerWaalsContact CG1-CA 3.5Å; V500-G531 VanDerWaalsContact CG1-N 3.28Å
501	M	96	Very high	96.1	Very high	8 Å²	8	20.3 Å²	20.3	4%	0.039	12%	0.115	C	C	.	.	B	Isolated β-bridge	trans	-72.5	167.9	179.4	-53.1	-169.4	96.9	0	0	112	D507 K510 L526 L527 Y528 G529	M501-D507 HydrophobicContact CB-CB 4.33Å; M501-D507 HydrophobicContact CE-CB 3.42Å; M501-D507 VanDerWaalsContact CE-CB 3.42Å; M501-D507 WeakPolarHBondContact CE-OD1 3.45Å; M501-D507 HydrophobicContact SD-CB 4.18Å; M501-K510 HydrophobicContact CE-CD 4.26Å; M501-L526 HydrophobicContact CB-CD2 4.42Å; M501-L526 HydrophobicContact SD-CD1 4.11Å; M501-L526 HydrophobicContact SD-CG 3.81Å; M501-L527 VanDerWaalsContact CB-O 3.3Å; M501-L527 WeakPolarHBondContact CB-O 3.45Å; M501-L527 WeakPolarHBondContact CG-O 3.35Å; M501-L527 PolarHBondContact N-O 3.09Å; M501-Y528 CarbonylContact O-C 3.55Å; M501-Y528 WeakPolarHBondContact O-CA 3.41Å; M501-Y528 WeakPolarHBondContact O-CB 3.32Å; M501-G529 PolarHBondContact O-N 3.35Å
502	E	95.9	Very high	96	Very high	80 Å²	80	21.2 Å²	21.2	37%	0.374	12%	0.12	S	C	.	.			trans	-114	8.4	-178.3	-53.6	-166.2	-177.9	0	0	114	S504 D507 M541 R544	E502-S504 PolarHBondContact O-N 2.95Å; E502-D507 PolarHBondContact N-OD2 2.88Å; E502-M541 HydrophobicContact CB-CE 4.27Å; E502-M541 HydrophobicContact CB-CG 4.38Å; E502-M541 HydrophobicContact CG-CE 4.04Å; E502-R544 WeakPolarHBondContact O-CD 3.28Å; E502-R544 IonicContact OE2-CZ 3.37Å; E502-R544 IonicContact OE2-NH1 3.19Å; E502-R544 PolarHBondContact OE2-NH1 3.04Å; E502-R544 IonicContact OE2-NH2 2.78Å
503	V	96.1	Very high	95.9	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.006	14%	0.143	C	C	.	.			trans	57.6	30.5	-171.9	-156.1	0	0	0	0	111.7	D507 L526 Y528 L545	V503-D507 PolarHBondContact N-OD2 3.24Å; V503-L526 HydrophobicContact CG2-CD2 4.19Å; V503-Y528 VanDerWaalsContact CG2-CB 3.42Å; V503-Y528 HydrophobicContact CG2-CD1 3.51Å; V503-Y528 HydrophobicContact CG2-CD2 3.56Å; V503-Y528 HydrophobicContact CG2-CE1 4.1Å; V503-Y528 HydrophobicContact CG2-CE2 4.15Å; V503-Y528 HydrophobicContact CG2-CG 3.21Å; V503-L545 HydrophobicContact CG1-CB 4.14Å; V503-L545 HydrophobicContact CG1-CD1 4.1Å
504	S	96.5	Very high	95.8	Very high	33 Å²	33	27.9 Å²	27.9	23%	0.231	16%	0.156	C	C	.	.			trans	-69.7	158.5	173.6	73.3	0	0	0	0	110.5	E502 G506 D507 L508	E502-S504 PolarHBondContact O-N 2.95Å; S504-G506 PolarHBondContact O-N 3.29Å; S504-G506 PolarHBondContact OG-N 3.42Å; S504-D507 PolarHBondContact N-OD2 3.31Å; S504-D507 WeakPolarHBondContact O-CB 3.43Å; S504-D507 PolarHBondContact O-N 3.32Å; S504-D507 PolarHBondContact OG-N 2.92Å; S504-D507 PolarHBondContact OG-OD1 3.43Å; S504-D507 PolarHBondContact OG-OD2 3.39Å; S504-L508 WeakPolarHBondContact O-CG 3.45Å; S504-L508 PolarHBondContact O-N 3.18Å
505	V	95.9	Very high	95.8	Very high	2 Å²	2	28 Å²	28	1%	0.012	16%	0.156	C	C	.	.	H	α-helix	trans	-59.5	-30.9	172.4	-177.1	0	0	0	0	111	V262 A265 M266 A269 L508 M509 L551	V262-V505 HydrophobicContact CG1-CG2 4.11Å; A265-V505 HydrophobicContact CB-CB 3.8Å; A265-V505 HydrophobicContact CB-CG2 3.87Å; M266-V505 HydrophobicContact CG-CG1 4.25Å; M266-V505 HydrophobicContact CG-CG2 4.02Å; A269-V505 HydrophobicContact CB-CB 4.49Å; A269-V505 HydrophobicContact CB-CG1 4.06Å; V505-L508 PolarHBondContact O-N 3.2Å; V505-M509 HydrophobicContact CG1-CG 4.31Å; V505-M509 WeakPolarHBondContact O-CB 3.39Å; V505-M509 VanDerWaalsContact O-CG 3.31Å; V505-M509 WeakPolarHBondContact O-CG 3.15Å; V505-M509 PolarHBondContact O-N 3.14Å; V505-L551 HydrophobicContact CB-CD2 4.5Å; V505-L551 HydrophobicContact CG1-CD2 3.91Å; V505-L551 HydrophobicContact CG2-CD1 4.01Å; V505-L551 HydrophobicContact CG2-CD2 4.05Å
506	G	96.5	Very high	95.7	Very high	31 Å²	31	31.1 Å²	31.1	32%	0.32	17%	0.17	S	C	.	.	H	α-helix	trans	-60.6	-44.3	171.1	0	0	0	0	0	112.5	S504 M509 K510	S504-G506 PolarHBondContact O-N 3.29Å; S504-G506 PolarHBondContact OG-N 3.42Å; G506-M509 PolarHBondContact O-N 2.77Å; G506-K510 WeakPolarHBondContact O-CB 3.28Å; G506-K510 PolarHBondContact O-N 3.19Å
507	D	97.5	Very high	95.7	Very high	29 Å²	29	31.1 Å²	31.1	16%	0.155	17%	0.17	C	C	.	.	H	α-helix	trans	-64.3	-43.4	178.2	-63.4	-29.3	0	0	0	111.9	M501 E502 V503 S504 K510 T511 L526	M501-D507 HydrophobicContact CB-CB 4.33Å; M501-D507 HydrophobicContact CE-CB 3.42Å; M501-D507 VanDerWaalsContact CE-CB 3.42Å; M501-D507 WeakPolarHBondContact CE-OD1 3.45Å; M501-D507 HydrophobicContact SD-CB 4.18Å; E502-D507 PolarHBondContact N-OD2 2.88Å; V503-D507 PolarHBondContact N-OD2 3.24Å; S504-D507 PolarHBondContact N-OD2 3.31Å; S504-D507 WeakPolarHBondContact O-CB 3.43Å; S504-D507 PolarHBondContact O-N 3.32Å; S504-D507 PolarHBondContact OG-N 2.92Å; S504-D507 PolarHBondContact OG-OD1 3.43Å; S504-D507 PolarHBondContact OG-OD2 3.39Å; D507-K510 PolarHBondContact O-N 3.13Å; D507-T511 WeakPolarHBondContact O-CB 3.48Å; D507-T511 PolarHBondContact O-N 2.97Å; D507-T511 PolarHBondContact O-OG1 3.19Å; D507-L526 HydrophobicContact CB-CD1 4.29Å
508	L	96.7	Very high	95.4	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-60.7	-49.5	176.5	-63.3	173.7	0	0	0	111	I322 S504 V505 T511 V512 L526 L551 P555 V557	I322-L508 HydrophobicContact CD1-CB 4.26Å; I322-L508 HydrophobicContact CD1-CD2 3.91Å; I322-L508 WeakPolarHBondContact CD1-O 3.41Å; I322-L508 HydrophobicContact CG2-CD2 4.19Å; S504-L508 WeakPolarHBondContact O-CG 3.45Å; S504-L508 PolarHBondContact O-N 3.18Å; V505-L508 PolarHBondContact O-N 3.2Å; L508-T511 WeakPolarHBondContact O-CB 3.26Å; L508-T511 PolarHBondContact O-N 2.85Å; L508-V512 WeakPolarHBondContact O-CG2 3.31Å; L508-V512 PolarHBondContact O-N 2.58Å; L508-V512 VanDerWaalsContact O-N 3.1Å; L508-L526 HydrophobicContact CD2-CD1 3.75Å; L508-L551 HydrophobicContact CD1-CD2 3.76Å; L508-P555 HydrophobicContact CB-CG 4.08Å; L508-V557 HydrophobicContact CD1-CG2 3.99Å; L508-V557 HydrophobicContact CD2-CG2 3.74Å
509	M	95.6	Very high	95.1	Very high	11 Å²	11	36.6 Å²	36.6	5%	0.054	21%	0.206	C	C	.	.	H	α-helix	trans	-67.9	-37.7	178.9	-67.2	-52.4	-62.9	0	0	112	A269 L270 L318 V505 G506 T511 V512 N513	A269-M509 HydrophobicContact CB-CG 4.31Å; L270-M509 HydrophobicContact CD2-CE 4.42Å; L270-M509 HydrophobicContact CD2-CG 4.38Å; L270-M509 HydrophobicContact CD2-SD 3.97Å; L318-M509 HydrophobicContact CD1-CE 4.14Å; L318-M509 HydrophobicContact CD1-SD 4.35Å; V505-M509 HydrophobicContact CG1-CG 4.31Å; V505-M509 WeakPolarHBondContact O-CB 3.39Å; V505-M509 VanDerWaalsContact O-CG 3.31Å; V505-M509 WeakPolarHBondContact O-CG 3.15Å; V505-M509 PolarHBondContact O-N 3.14Å; G506-M509 PolarHBondContact O-N 2.77Å; M509-T511 VanDerWaalsContact C-N 3.3Å; M509-T511 PolarHBondContact O-N 3.03Å; M509-V512 PolarHBondContact O-N 2.66Å; M509-N513 VanDerWaalsContact O-CB 3.28Å; M509-N513 WeakPolarHBondContact O-CB 3.42Å; M509-N513 PolarHBondContact O-N 2.94Å; M509-N513 PolarHBondContact O-ND2 3.41Å; M509-N513 VanDerWaalsContact O-ND2 3.11Å
510	K	96.3	Very high	94.9	Very high	80 Å²	80	40.1 Å²	40.1	35%	0.348	22%	0.219	S	C	.	.	H	α-helix	trans	-57.9	-45.5	172.8	-174	-175.5	-177.9	-163.6	0	110.5	G496 M501 G506 D507 V512 N513 N514	G496-K510 WeakPolarHBondContact O-CE 3.45Å; G496-K510 PolarHBondContact O-NZ 2.98Å; M501-K510 HydrophobicContact CE-CD 4.26Å; G506-K510 WeakPolarHBondContact O-CB 3.28Å; G506-K510 PolarHBondContact O-N 3.19Å; D507-K510 PolarHBondContact O-N 3.13Å; K510-V512 PolarHBondContact O-N 2.99Å; K510-N513 PolarHBondContact O-N 3.3Å; K510-N514 VanDerWaalsContact O-CB 3.26Å; K510-N514 WeakPolarHBondContact O-CB 3.38Å; K510-N514 PolarHBondContact O-N 2.98Å
511	T	96.8	Very high	94.7	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-61	-43.2	179	-59	0	0	0	0	111.9	I322 P495 D507 L508 M509 F515 A524	I322-T511 HydrophobicContact CD1-CG2 3.77Å; I322-T511 HydrophobicContact CG1-CG2 4.09Å; P495-T511 HydrophobicContact CB-CG2 4.31Å; P495-T511 WeakPolarHBondContact CB-O 3.28Å; P495-T511 HydrophobicContact CG-CG2 4.08Å; D507-T511 WeakPolarHBondContact O-CB 3.48Å; D507-T511 PolarHBondContact O-N 2.97Å; D507-T511 PolarHBondContact O-OG1 3.19Å; L508-T511 WeakPolarHBondContact O-CB 3.26Å; L508-T511 PolarHBondContact O-N 2.85Å; M509-T511 VanDerWaalsContact C-N 3.3Å; M509-T511 PolarHBondContact O-N 3.03Å; T511-F515 PolarHBondContact O-N 3.34Å; T511-A524 HydrophobicContact CG2-CB 4.07Å
512	V	95.2	Very high	94.5	Very high	19 Å²	19	43.3 Å²	43.3	12%	0.115	23%	0.226	C	C	.	.	H	α-helix	trans	-64	-46.6	174.3	176.8	0	0	0	0	111.2	L318 F320 I322 L508 M509 K510 K518 P555	L318-V512 HydrophobicContact CD1-CG1 4.31Å; F320-V512 HydrophobicContact CD1-CG2 3.72Å; F320-V512 HydrophobicContact CE1-CG2 4.24Å; F320-V512 HydrophobicContact CG-CG2 4.26Å; I322-V512 HydrophobicContact CD1-CG2 4.16Å; L508-V512 WeakPolarHBondContact O-CG2 3.31Å; L508-V512 PolarHBondContact O-N 2.58Å; L508-V512 VanDerWaalsContact O-N 3.1Å; M509-V512 PolarHBondContact O-N 2.66Å; K510-V512 PolarHBondContact O-N 2.99Å; V512-K518 WeakPolarHBondContact O-CE 3.31Å; V512-P555 HydrophobicContact CG2-CB 3.74Å; V512-P555 HydrophobicContact CG2-CG 3.81Å
513	N	94.4	Very high	94.4	Very high	91 Å²	91	39.6 Å²	39.6	49%	0.487	21%	0.209	S	C	.	.	H	α-helix	trans	-69.5	-40.5	-173	-71.1	-25.9	0	0	0	112.2	M509 K510 F515 K518	M509-N513 VanDerWaalsContact O-CB 3.28Å; M509-N513 WeakPolarHBondContact O-CB 3.42Å; M509-N513 PolarHBondContact O-N 2.94Å; M509-N513 PolarHBondContact O-ND2 3.41Å; M509-N513 VanDerWaalsContact O-ND2 3.11Å; K510-N513 PolarHBondContact O-N 3.3Å; N513-F515 VanDerWaalsContact C-N 3.34Å; N513-K518 PolarHBondContact O-NZ 2.88Å
514	N	95.9	Very high	94.4	Very high	55 Å²	55	39.6 Å²	39.6	29%	0.294	21%	0.208	S	C	.	.	H	α-helix	trans	-84	-6.8	-177.4	-70.5	8.6	0	0	0	113.3	P495 D497 K510 K516	P495-N514 HydrophobicContact CB-CB 4.27Å; P495-N514 WeakPolarHBondContact O-CB 3.2Å; D497-N514 PolarHBondContact OD2-ND2 3.45Å; K510-N514 VanDerWaalsContact O-CB 3.26Å; K510-N514 WeakPolarHBondContact O-CB 3.38Å; K510-N514 PolarHBondContact O-N 2.98Å; N514-K516 WeakPolarHBondContact O-CG 3.39Å; N514-K516 PolarHBondContact O-N 3.14Å
515	F	95.7	Very high	94.4	Very high	4 Å²	4	38.1 Å²	38.1	2%	0.018	20%	0.198	C	C	.	.			trans	-59.7	121.3	174.7	-165.4	-108.9	0	0	0	110.9	F320 P495 T511 N513 D517 K518 T521 A524	F320-F515 HydrophobicContact CE2-CB 4.05Å; F320-F515 AromaticContact CE2-CD1 3.6Å; F320-F515 HydrophobicContact CE2-CD1 3.6Å; F320-F515 HydrophobicContact CE2-CD2 4.21Å; F320-F515 HydrophobicContact CE2-CE1 4.06Å; F320-F515 AromaticContact CE2-CG 3.68Å; F320-F515 HydrophobicContact CE2-CG 3.68Å; F320-F515 HydrophobicContact CZ-CB 3.87Å; F320-F515 HydrophobicContact CZ-CD1 4.01Å; F320-F515 AromaticContact CZ-CD2 3.76Å; F320-F515 HydrophobicContact CZ-CD2 3.76Å; F320-F515 HydrophobicContact CZ-CE1 4.5Å; F320-F515 HydrophobicContact CZ-CE2 4.3Å; F320-F515 AromaticContact CZ-CG 3.6Å; F320-F515 HydrophobicContact CZ-CG 3.6Å; P495-F515 HydrophobicContact CB-CB 4.43Å; P495-F515 HydrophobicContact CB-CD2 4.35Å; P495-F515 HydrophobicContact CG-CB 4.35Å; P495-F515 HydrophobicContact CG-CD2 3.49Å; P495-F515 VanDerWaalsContact CG-CD2 3.49Å; P495-F515 HydrophobicContact CG-CE2 4.25Å; P495-F515 HydrophobicContact CG-CG 4.42Å; T511-F515 PolarHBondContact O-N 3.34Å; N513-F515 VanDerWaalsContact C-N 3.34Å; F515-D517 HydrophobicContact CD1-CB 4.49Å; F515-D517 HydrophobicContact CE1-CB 3.76Å; F515-D517 WeakPolarHBondContact CE1-O 3.2Å; F515-D517 HydrophobicContact CZ-CB 3.96Å; F515-K518 HydrophobicContact CD1-CG 4.09Å; F515-K518 WeakPolarHBondContact O-CE 3.03Å; F515-K518 WeakPolarHBondContact O-CG 3.23Å; F515-T521 HydrophobicContact CE1-CG2 4.05Å; F515-T521 WeakPolarHBondContact CE1-O 3.07Å; F515-T521 HydrophobicContact CZ-CG2 3.56Å; F515-A524 HydrophobicContact CD2-CB 4.12Å; F515-A524 HydrophobicContact CE2-CB 4.13Å
516	K	95	Very high	94.4	Very high	68 Å²	68	38.1 Å²	38.1	30%	0.296	20%	0.198	S	C	.	.	S	Bend	trans	-90.5	-24.7	-172.2	-57.8	177	-176.5	155.5	0	113.2	F474 P475 S477 N514 K518	F474-K516 WeakPolarHBondContact O-CD 3.17Å; F474-K516 WeakPolarHBondContact O-CE 3.31Å; F474-K516 PolarHBondContact O-NZ 2.85Å; P475-K516 WeakPolarHBondContact O-CB 3.44Å; S477-K516 PolarHBondContact OG-N 3.15Å; S477-K516 VanDerWaalsContact OG-N 3.13Å; N514-K516 WeakPolarHBondContact O-CG 3.39Å; N514-K516 PolarHBondContact O-N 3.14Å; K516-K518 VanDerWaalsContact C-N 3.29Å; K516-K518 PolarHBondContact O-N 3.42Å
517	D	94.1	Very high	94.5	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.183	C	C	.	.			trans	-94.6	34.8	-177	-66.3	-65.2	0	0	0	113.8	N476 S477 S478 F515 G519 R520 T521	N476-D517 WeakPolarHBondContact CA-OD2 3.25Å; N476-D517 PolarHBondContact OD1-OD1 3.3Å; S477-D517 PolarHBondContact N-OD2 2.78Å; S478-D517 PolarHBondContact N-OD2 3.26Å; F515-D517 HydrophobicContact CD1-CB 4.49Å; F515-D517 HydrophobicContact CE1-CB 3.76Å; F515-D517 WeakPolarHBondContact CE1-O 3.2Å; F515-D517 HydrophobicContact CZ-CB 3.96Å; D517-G519 PolarHBondContact O-N 3.1Å; D517-R520 HydrophobicContact CB-CB 4.24Å; D517-R520 WeakPolarHBondContact O-CB 3.12Å; D517-R520 PolarHBondContact O-N 2.86Å; D517-R520 IonicContact OD1-CZ 3.92Å; D517-R520 IonicContact OD1-NH1 2.8Å; D517-R520 PolarHBondContact OD1-NH1 3.35Å; D517-T521 HydrophobicContact CB-CG2 4.41Å; D517-T521 PolarHBondContact O-N 3.38Å
518	K	88.9	Confident	94.5	Very high	128 Å²	128	35.3 Å²	35.3	56%	0.557	18%	0.175	S	C	*	.	B	Isolated β-bridge	trans	-53.6	128.4	178.7	-71.5	170.1	-177.9	164.3	0	110.1	V512 N513 F515 K516 R520	V512-K518 WeakPolarHBondContact O-CE 3.31Å; N513-K518 PolarHBondContact O-NZ 2.88Å; F515-K518 HydrophobicContact CD1-CG 4.09Å; F515-K518 WeakPolarHBondContact O-CE 3.03Å; F515-K518 WeakPolarHBondContact O-CG 3.23Å; K516-K518 VanDerWaalsContact C-N 3.29Å; K516-K518 PolarHBondContact O-N 3.42Å; K518-R520 VanDerWaalsContact C-N 3.3Å; K518-R520 PolarHBondContact O-N 3.47Å
519	G	87.7	Confident	94.4	Very high	64 Å²	64	35.3 Å²	35.3	66%	0.66	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	86.5	-16.1	-177.7	0	0	0	0	0	115.1	D517	D517-G519 PolarHBondContact O-N 3.1Å
520	R	91	Very high	94.3	Very high	87 Å²	87	37 Å²	37	33%	0.328	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-45.2	172.9	-60.9	-178	-179	97.2	11.2	112.1	D517 K518 N572 N575	D517-R520 HydrophobicContact CB-CB 4.24Å; D517-R520 WeakPolarHBondContact O-CB 3.12Å; D517-R520 PolarHBondContact O-N 2.86Å; D517-R520 IonicContact OD1-CZ 3.92Å; D517-R520 IonicContact OD1-NH1 2.8Å; D517-R520 PolarHBondContact OD1-NH1 3.35Å; K518-R520 VanDerWaalsContact C-N 3.3Å; K518-R520 PolarHBondContact O-N 3.47Å; R520-N572 WeakPolarHBondContact O-CB 3.26Å; R520-N575 WeakPolarHBondContact CA-ND2 3.44Å; R520-N575 VanDerWaalsContact CD-O 3.29Å; R520-N575 WeakPolarHBondContact CD-O 3.48Å; R520-N575 WeakPolarHBondContact CG-O 2.94Å
521	T	91.5	Very high	93.9	Very high	3 Å²	3	33.3 Å²	33.3	2%	0.018	17%	0.166	C	C	.	.	B	Isolated β-bridge	trans	-142.6	165.3	172.3	172.5	0	0	0	0	109.2	F515 D517 S523	F515-T521 HydrophobicContact CE1-CG2 4.05Å; F515-T521 WeakPolarHBondContact CE1-O 3.07Å; F515-T521 HydrophobicContact CZ-CG2 3.56Å; D517-T521 HydrophobicContact CB-CG2 4.41Å; D517-T521 PolarHBondContact O-N 3.38Å; T521-S523 PolarHBondContact OG1-N 2.87Å
522	R	91.2	Very high	93.4	Very high	123 Å²	123	34.7 Å²	34.7	46%	0.464	17%	0.173	S	C	.	.			trans	-132.7	29.3	-175.7	-58.9	178.4	-177.2	175.5	-7.7	111.1	D319 F320 R321	D319-R522 IonicContact OD1-NH1 3.27Å; D319-R522 PolarHBondContact OD1-NH1 3.01Å; D319-R522 IonicContact OD2-CZ 3.65Å; D319-R522 IonicContact OD2-NH1 3.65Å; D319-R522 PolarHBondContact OD2-NH1 3.1Å; F320-R522 HydrophobicContact CD2-CB 4.44Å; R321-R522 PolarHBondContact N-O 2.72Å
523	S	93.4	Very high	92.8	Very high	3 Å²	3	33.8 Å²	33.8	2%	0.021	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	128.6	-177.1	-64.6	0	0	0	0	109.7	R321 T521	R321-S523 WeakPolarHBondContact O-CA 3.45Å; T521-S523 PolarHBondContact OG1-N 2.87Å
524	A	95.9	Very high	92.2	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	150.3	178.7	0	0	0	0	0	110.7	F320 R321 I322 Y323 P495 T511 F515	F320-A524 HydrophobicContact CE1-CB 3.9Å; F320-A524 HydrophobicContact CZ-CB 3.83Å; R321-A524 PolarHBondContact O-N 2.96Å; I322-A524 WeakPolarHBondContact CA-O 3.42Å; Y323-A524 PolarHBondContact N-O 2.99Å; P495-A524 HydrophobicContact CG-CB 3.81Å; T511-A524 HydrophobicContact CG2-CB 4.07Å; F515-A524 HydrophobicContact CD2-CB 4.12Å; F515-A524 HydrophobicContact CE2-CB 4.13Å
525	L	96.7	Very high	91.7	Very high	3 Å²	3	27.2 Å²	27.2	2%	0.016	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	141.2	169	-168.7	67.8	0	0	0	109.5	L325 W438 M462 H492 P494 L527 V565	L325-L525 HydrophobicContact CB-CD1 3.96Å; L325-L525 HydrophobicContact CD2-CD1 4.05Å; W438-L525 HydrophobicContact CH2-CD2 3.8Å; W438-L525 HydrophobicContact CZ2-CD2 4.48Å; W438-L525 HydrophobicContact CZ3-CD2 4.44Å; M462-L525 HydrophobicContact CG-CD2 4Å; H492-L525 PolarHBondContact NE2-N 3.3Å; P494-L525 HydrophobicContact CG-CB 4.41Å; P494-L525 HydrophobicContact CG-CD2 4.24Å; L525-L527 HydrophobicContact CD1-CD2 4.45Å; L525-L527 HydrophobicContact CD2-CD1 4.27Å; L525-L527 HydrophobicContact CD2-CD2 3.71Å; L525-L527 HydrophobicContact CD2-CG 3.9Å; L525-L527 HydrophobicContact CG-CD2 3.96Å; L525-L527 HydrophobicContact CG-CG 4.11Å; L525-V565 HydrophobicContact CB-CG1 4.32Å; L525-V565 HydrophobicContact CD1-CG2 3.89Å
526	L	97.4	Very high	91.6	Very high	1 Å²	1	27 Å²	27	1%	0.005	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	120.8	164.8	179.2	156	0	0	0	107.8	I322 Y323 A324 L325 M501 V503 D507 L508 Y528	I322-L526 HydrophobicContact CG2-CB 3.44Å; I322-L526 VanDerWaalsContact CG2-CB 3.44Å; I322-L526 HydrophobicContact CG2-CD1 4.06Å; I322-L526 HydrophobicContact CG2-CG 4.39Å; Y323-L526 PolarHBondContact O-N 2.82Å; A324-L526 WeakPolarHBondContact CA-O 3.2Å; A324-L526 HydrophobicContact CB-CD2 4.36Å; L325-L526 PolarHBondContact N-O 2.74Å; M501-L526 HydrophobicContact CB-CD2 4.42Å; M501-L526 HydrophobicContact SD-CD1 4.11Å; M501-L526 HydrophobicContact SD-CG 3.81Å; V503-L526 HydrophobicContact CG2-CD2 4.19Å; D507-L526 HydrophobicContact CB-CD1 4.29Å; L508-L526 HydrophobicContact CD2-CD1 3.75Å; L526-Y528 HydrophobicContact CD2-CD1 4.02Å; L526-Y528 HydrophobicContact CD2-CG 4.44Å
527	L	97.3	Very high	91.6	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.005	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	119.9	179.9	-70.6	-178.3	0	0	0	109.4	L325 N327 W438 M462 P494 M501 L525	L325-L527 HydrophobicContact CB-CD2 4.19Å; L325-L527 HydrophobicContact CD2-CD2 4.07Å; L325-L527 HydrophobicContact CG-CD2 4.34Å; L325-L527 WeakPolarHBondContact O-CA 3.01Å; N327-L527 HydrophobicContact CB-CD2 4.48Å; W438-L527 HydrophobicContact CH2-CD2 4.09Å; W438-L527 HydrophobicContact CZ2-CD1 4.14Å; W438-L527 HydrophobicContact CZ2-CD2 3.71Å; M462-L527 HydrophobicContact CE-CD1 3.64Å; M462-L527 HydrophobicContact SD-CD1 3.94Å; P494-L527 HydrophobicContact CG-CD1 4.03Å; P494-L527 HydrophobicContact CG-CG 4.39Å; M501-L527 VanDerWaalsContact CB-O 3.3Å; M501-L527 WeakPolarHBondContact CB-O 3.45Å; M501-L527 WeakPolarHBondContact CG-O 3.35Å; M501-L527 PolarHBondContact N-O 3.09Å; L525-L527 HydrophobicContact CD1-CD2 4.45Å; L525-L527 HydrophobicContact CD2-CD1 4.27Å; L525-L527 HydrophobicContact CD2-CD2 3.71Å; L525-L527 HydrophobicContact CD2-CG 3.9Å; L525-L527 HydrophobicContact CG-CD2 3.96Å; L525-L527 HydrophobicContact CG-CG 4.11Å
528	Y	97.3	Very high	91.6	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	154.9	-178.5	71.4	-89.3	0	0	0	112.8	A324 L325 G326 N327 L362 M501 V503 L526 P537 M541 L545	A324-Y528 HydrophobicContact CB-CD1 4.2Å; A324-Y528 HydrophobicContact CB-CE1 3.98Å; L325-Y528 VanDerWaalsContact C-CD1 3.44Å; L325-Y528 WeakPolarHBondContact O-CD1 3.4Å; L325-Y528 PolarHBondContact O-N 2.98Å; L325-Y528 VanDerWaalsContact O-N 3.13Å; G326-Y528 CarbonylContact C-O 3.6Å; G326-Y528 WeakPolarHBondContact CA-O 3.34Å; N327-Y528 PolarHBondContact N-O 2.71Å; N327-Y528 PolarHBondContact ND2-N 2.65Å; N327-Y528 PolarHBondContact ND2-O 2.76Å; L362-Y528 HydrophobicContact CD1-CE2 4.47Å; L362-Y528 WeakPolarHBondContact CD1-OH 3.43Å; M501-Y528 CarbonylContact O-C 3.55Å; M501-Y528 WeakPolarHBondContact O-CA 3.41Å; M501-Y528 WeakPolarHBondContact O-CB 3.32Å; V503-Y528 VanDerWaalsContact CG2-CB 3.42Å; V503-Y528 HydrophobicContact CG2-CD1 3.51Å; V503-Y528 HydrophobicContact CG2-CD2 3.56Å; V503-Y528 HydrophobicContact CG2-CE1 4.1Å; V503-Y528 HydrophobicContact CG2-CE2 4.15Å; V503-Y528 HydrophobicContact CG2-CG 3.21Å; L526-Y528 HydrophobicContact CD2-CD1 4.02Å; L526-Y528 HydrophobicContact CD2-CG 4.44Å; Y528-P537 HydrophobicContact CD2-CB 4.27Å; Y528-P537 HydrophobicContact CD2-CG 4.14Å; Y528-P537 HydrophobicContact CE2-CB 3.84Å; Y528-P537 HydrophobicContact CE2-CG 3.81Å; Y528-M541 HydrophobicContact CD2-CB 4.03Å; Y528-M541 HydrophobicContact CD2-CG 4.48Å; Y528-M541 HydrophobicContact CD2-SD 4.11Å; Y528-M541 HydrophobicContact CE2-CB 4.28Å; Y528-L545 HydrophobicContact CE1-CD2 4.13Å; Y528-L545 VanDerWaalsContact OH-CD2 3.28Å; Y528-L545 WeakPolarHBondContact OH-CD2 3.48Å
529	G	95.6	Very high	91.9	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.01	11%	0.106	C	C	.	.	S	Bend	trans	126.8	157.7	-176	0	0	0	0	0	111.9	V500 M501 G531	V500-G529 WeakPolarHBondContact CA-O 3.4Å; V500-G529 WeakPolarHBondContact CB-O 3.4Å; M501-G529 PolarHBondContact O-N 3.35Å; G529-G531 PolarHBondContact O-N 3.19Å
530	Y	93	Very high	92.3	Very high	47 Å²	47	20.5 Å²	20.5	18%	0.184	9%	0.088	C	C	.	.	B	Isolated β-bridge	trans	-71.9	129.7	170.2	-63.6	-91	0	0	0	109.5	A191 K193 G536 D538 M541	A191-Y530 HydrophobicContact CB-CE1 4.47Å; K193-Y530 VanDerWaalsContact NZ-CD2 3.3Å; Y530-G536 WeakPolarHBondContact CD2-O 3.49Å; Y530-G536 PolarHBondContact N-O 2.62Å; Y530-G536 VanDerWaalsContact N-O 3.08Å; Y530-G536 PolarHBondContact O-N 3.03Å; Y530-D538 HydrophobicContact CE2-CB 4.38Å; Y530-D538 VanDerWaalsContact CE2-OD2 3.3Å; Y530-D538 WeakPolarHBondContact CE2-OD2 3.29Å; Y530-D538 PolarHBondContact OH-OD2 3.14Å; Y530-M541 HydrophobicContact CD2-CE 3.77Å; Y530-M541 HydrophobicContact CE2-CE 3.48Å; Y530-M541 VanDerWaalsContact CE2-CE 3.48Å
531	G	88.6	Confident	92.5	Very high	1 Å²	1	16.4 Å²	16.4	1%	0.01	7%	0.073	C	C	.	.			trans	-119.3	-162.5	179.8	0	0	0	0	0	112.9	R221 H329 V500 G529 G533	R221-G531 PolarHBondContact NH1-O 3.37Å; H329-G531 CarbonylContact O-C 3.5Å; H329-G531 WeakPolarHBondContact O-CA 3.27Å; V500-G531 VanDerWaalsContact CG1-CA 3.5Å; V500-G531 VanDerWaalsContact CG1-N 3.28Å; G529-G531 PolarHBondContact O-N 3.19Å; G531-G533 PolarHBondContact O-N 2.86Å
532	D	85.8	Confident	92.8	Very high	29 Å²	29	16.5 Å²	16.5	16%	0.155	7%	0.074	C	C	.	.	S	Bend	trans	60.4	-54.7	-178.6	-42.9	-30.9	0	0	0	113.7	F222 H329 D331 W334 W336 Y499	F222-D532 HydrophobicContact CD1-CB 4.45Å; F222-D532 HydrophobicContact CE1-CB 3.72Å; H329-D532 IonicContact CD2-OD1 3.72Å; H329-D532 PolarHBondContact O-N 3.19Å; D331-D532 VanDerWaalsContact CG-O 3.31Å; D331-D532 PolarHBondContact N-O 3.21Å; W334-D532 HydrophobicContact CZ3-CB 4Å; W336-D532 WeakPolarHBondContact CH2-O 3.38Å; W336-D532 WeakPolarHBondContact CZ2-O 3.45Å; Y499-D532 WeakPolarHBondContact CE2-OD1 3.36Å; Y499-D532 VanDerWaalsContact CZ-OD1 3.31Å; Y499-D532 PolarHBondContact OH-OD1 2.62Å
533	G	82.9	Confident	93	Very high	0 Å²	0	11 Å²	11	0%	0	5%	0.054	C	C	.	.	B	Isolated β-bridge	trans	-112.6	8.2	177.2	0	0	0	0	0	115.5	K344 G531	K344-G533 PolarHBondContact NZ-O 3.3Å; G531-G533 PolarHBondContact O-N 2.86Å
534	G	80.7	Confident	93.2	Very high	1 Å²	1	12.4 Å²	12.4	1%	0.01	6%	0.058	C	C	.	.			trans	90.1	-173.3	-175.8	0	0	0	0	0	115.4	R221 C328	R221-G534 WeakPolarHBondContact CD-O 3.42Å; C328-G534 VanDerWaalsContact SG-CA 3.51Å
535	G	86.6	Confident	93.1	Very high	8 Å²	8	12.7 Å²	12.7	8%	0.082	6%	0.06	C	C	.	.			trans	116	-39.7	-176.7	0	0	0	0	0	113.1	K193 S348	K193-G535 VanDerWaalsContact NZ-C 3.31Å; K193-G535 PolarHBondContact NZ-O 3.27Å; S348-G535 PolarHBondContact OG-N 3.42Å
536	G	92.9	Very high	93	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	8%	0.084	C	C	.	.	B	Isolated β-bridge	trans	59.6	-167.6	179.8	0	0	0	0	0	113.5	K193 C328 Y530	K193-G536 PolarHBondContact NZ-O 2.92Å; K193-G536 VanDerWaalsContact NZ-O 3.09Å; C328-G536 PolarHBondContact SG-N 3.29Å; Y530-G536 WeakPolarHBondContact CD2-O 3.49Å; Y530-G536 PolarHBondContact N-O 2.62Å; Y530-G536 VanDerWaalsContact N-O 3.08Å; Y530-G536 PolarHBondContact O-N 3.03Å
537	P	95.5	Very high	92.8	Very high	1 Å²	1	19.1 Å²	19.1	1%	0.006	9%	0.087	C	C	.	.			trans	-53.1	150.7	172.5	-29.3	37.3	0	0	0	113.3	N327 L355 L362 F364 Y528	N327-P537 WeakPolarHBondContact O-CD 3.18Å; L355-P537 HydrophobicContact CD1-CB 4.46Å; L355-P537 WeakPolarHBondContact CD1-O 3.49Å; L362-P537 HydrophobicContact CD1-CB 4.37Å; L362-P537 HydrophobicContact CD1-CG 4.29Å; F364-P537 HydrophobicContact CD2-CG 4.06Å; F364-P537 HydrophobicContact CE2-CG 4.39Å; Y528-P537 HydrophobicContact CD2-CB 4.27Å; Y528-P537 HydrophobicContact CD2-CG 4.14Å; Y528-P537 HydrophobicContact CE2-CB 3.84Å; Y528-P537 HydrophobicContact CE2-CG 3.81Å
538	D	94.3	Very high	92.5	Very high	16 Å²	16	19.1 Å²	19.1	9%	0.086	9%	0.087	C	C	.	.			trans	-120.5	179.9	170.9	68.3	8.8	0	0	0	111.9	Y530 E540 M541 C542	Y530-D538 HydrophobicContact CE2-CB 4.38Å; Y530-D538 VanDerWaalsContact CE2-OD2 3.3Å; Y530-D538 WeakPolarHBondContact CE2-OD2 3.29Å; Y530-D538 PolarHBondContact OH-OD2 3.14Å; D538-E540 VanDerWaalsContact C-N 3.33Å; D538-E540 PolarHBondContact O-N 2.9Å; D538-E540 PolarHBondContact OD1-N 2.84Å; D538-M541 PolarHBondContact O-N 3.48Å; D538-M541 WeakPolarHBondContact OD1-CB 3.32Å; D538-M541 WeakPolarHBondContact OD1-CG 3.41Å; D538-M541 PolarHBondContact OD1-N 3.09Å; D538-C542 PolarHBondContact O-N 3.24Å; D538-C542 PolarHBondContact O-SG 2.87Å; D538-C542 VanDerWaalsContact O-SG 3.38Å
539	R	94.6	Very high	92.2	Very high	43 Å²	43	21.1 Å²	21.1	16%	0.162	10%	0.098	C	C	.	.	H	α-helix	trans	-63.3	-42.5	-178.2	-168.3	-178.2	178.2	164.7	-2.5	110.7	E251 Y254 L355 Y359 M541 C542 E543	E251-R539 IonicContact OE1-CZ 3.93Å; E251-R539 IonicContact OE1-NH2 3.97Å; E251-R539 PolarHBondContact OE1-NH2 3.16Å; Y254-R539 HydrophobicContact CE1-CG 4.15Å; Y254-R539 WeakPolarHBondContact OH-CG 3.41Å; L355-R539 HydrophobicContact CD2-CB 4.37Å; Y359-R539 HydrophobicContact CE2-CG 4.23Å; Y359-R539 WeakPolarHBondContact OH-CG 3.34Å; Y359-R539 PolarHBondContact OH-NE 3.02Å; R539-M541 PolarHBondContact O-N 2.99Å; R539-C542 PolarHBondContact O-N 3.41Å; R539-E543 WeakPolarHBondContact O-CG 3.14Å; R539-E543 PolarHBondContact O-N 2.99Å
540	E	95.1	Very high	91.7	Very high	62 Å²	62	27.3 Å²	27.3	29%	0.29	12%	0.121	S	C	.	.	H	α-helix	trans	-59.3	-45.8	179.6	-71.2	66.4	-153.4	0	0	111.7	Y254 M258 D538 E543 R544	Y254-E540 WeakPolarHBondContact CE2-OE1 3.43Å; Y254-E540 PolarHBondContact OH-N 3.42Å; Y254-E540 PolarHBondContact OH-OE1 2.97Å; M258-E540 HydrophobicContact CE-CB 4.33Å; M258-E540 WeakPolarHBondContact CE-O 3.42Å; M258-E540 HydrophobicContact SD-CG 4.33Å; D538-E540 VanDerWaalsContact C-N 3.33Å; D538-E540 PolarHBondContact O-N 2.9Å; D538-E540 PolarHBondContact OD1-N 2.84Å; E540-E543 PolarHBondContact O-N 2.85Å; E540-R544 WeakPolarHBondContact O-CG 3.22Å; E540-R544 PolarHBondContact O-N 2.88Å
541	M	96.7	Very high	91.5	Very high	2 Å²	2	25 Å²	25	1%	0.01	11%	0.112	C	C	.	.	H	α-helix	trans	-62.1	-43.7	175.9	-69.8	170.7	-169.2	0	0	111.7	E502 Y528 Y530 D538 R539 R544 L545	E502-M541 HydrophobicContact CB-CE 4.27Å; E502-M541 HydrophobicContact CB-CG 4.38Å; E502-M541 HydrophobicContact CG-CE 4.04Å; Y528-M541 HydrophobicContact CD2-CB 4.03Å; Y528-M541 HydrophobicContact CD2-CG 4.48Å; Y528-M541 HydrophobicContact CD2-SD 4.11Å; Y528-M541 HydrophobicContact CE2-CB 4.28Å; Y530-M541 HydrophobicContact CD2-CE 3.77Å; Y530-M541 HydrophobicContact CE2-CE 3.48Å; Y530-M541 VanDerWaalsContact CE2-CE 3.48Å; D538-M541 PolarHBondContact O-N 3.48Å; D538-M541 WeakPolarHBondContact OD1-CB 3.32Å; D538-M541 WeakPolarHBondContact OD1-CG 3.41Å; D538-M541 PolarHBondContact OD1-N 3.09Å; R539-M541 PolarHBondContact O-N 2.99Å; M541-R544 PolarHBondContact O-N 2.97Å; M541-L545 WeakPolarHBondContact O-CB 2.91Å; M541-L545 PolarHBondContact O-N 3.18Å
542	C	97	Very high	91.6	Very high	5 Å²	5	25.3 Å²	25.3	3%	0.034	11%	0.113	C	C	.	.	H	α-helix	trans	-63	-41.3	176.5	-69.4	0	0	0	0	112.1	Y359 D538 R539 L545 K546	Y359-C542 HydrophobicContact CD1-CB 3.6Å; Y359-C542 HydrophobicContact CD2-CB 3.74Å; Y359-C542 HydrophobicContact CE1-CB 3.68Å; Y359-C542 HydrophobicContact CE2-CB 3.83Å; Y359-C542 HydrophobicContact CG-CB 3.64Å; D538-C542 PolarHBondContact O-N 3.24Å; D538-C542 PolarHBondContact O-SG 2.87Å; D538-C542 VanDerWaalsContact O-SG 3.38Å; R539-C542 PolarHBondContact O-N 3.41Å; C542-L545 WeakPolarHBondContact O-CB 3.28Å; C542-L545 PolarHBondContact O-N 3.32Å; C542-K546 PolarHBondContact O-N 2.98Å
543	E	96.2	Very high	91.7	Very high	8 Å²	8	24.5 Å²	24.5	4%	0.037	11%	0.112	C	C	.	.	H	α-helix	trans	-67.8	-36.8	176.8	-76.2	-53.2	149.4	0	0	113.2	Y254 M258 Y359 R539 E540 R547	Y254-E543 HydrophobicContact CE1-CG 3.8Å; M258-E543 HydrophobicContact CB-CB 4.28Å; M258-E543 HydrophobicContact CE-CB 3.89Å; M258-E543 HydrophobicContact CG-CB 3.88Å; M258-E543 HydrophobicContact CG-CG 4.21Å; M258-E543 HydrophobicContact SD-CB 4.49Å; Y359-E543 HydrophobicContact CE1-CG 4.45Å; Y359-E543 WeakPolarHBondContact CE1-OE1 2.96Å; Y359-E543 VanDerWaalsContact CZ-OE1 3.28Å; Y359-E543 PolarHBondContact OH-OE1 3.31Å; R539-E543 WeakPolarHBondContact O-CG 3.14Å; R539-E543 PolarHBondContact O-N 2.99Å; E540-E543 PolarHBondContact O-N 2.85Å; E543-R547 PolarHBondContact O-N 3.12Å; E543-R547 PolarHBondContact O-NH1 2.83Å; E543-R547 IonicContact OE2-CZ 2.71Å; E543-R547 IonicContact OE2-NH1 2.99Å; E543-R547 PolarHBondContact OE2-NH1 3.24Å; E543-R547 IonicContact OE2-NH2 3.2Å
544	R	96.3	Very high	92.1	Very high	32 Å²	32	24.5 Å²	24.5	12%	0.121	11%	0.112	C	C	.	.	H	α-helix	trans	-63.8	-44.9	170.8	-75.2	171.4	-173.7	146.3	-1.2	111.2	M258 D261 V262 E502 E540 M541 R547 S548	M258-R544 HydrophobicContact CE-CG 3.63Å; D261-R544 IonicContact OD1-NH2 3.31Å; D261-R544 IonicContact OD2-CZ 3.92Å; D261-R544 IonicContact OD2-NE 3.94Å; D261-R544 PolarHBondContact OD2-NE 3.29Å; D261-R544 IonicContact OD2-NH2 2.75Å; D261-R544 PolarHBondContact OD2-NH2 3.32Å; V262-R544 HydrophobicContact CG2-CG 4.4Å; E502-R544 WeakPolarHBondContact O-CD 3.28Å; E502-R544 IonicContact OE2-CZ 3.37Å; E502-R544 IonicContact OE2-NH1 3.19Å; E502-R544 PolarHBondContact OE2-NH1 3.04Å; E502-R544 IonicContact OE2-NH2 2.78Å; E540-R544 WeakPolarHBondContact O-CG 3.22Å; E540-R544 PolarHBondContact O-N 2.88Å; M541-R544 PolarHBondContact O-N 2.97Å; R544-R547 PolarHBondContact O-N 3.3Å; R544-S548 VanDerWaalsContact O-CB 3.25Å; R544-S548 WeakPolarHBondContact O-CB 3.46Å; R544-S548 PolarHBondContact O-N 2.9Å; R544-S548 PolarHBondContact O-OG 3.05Å
545	L	95.7	Very high	92.7	Very high	5 Å²	5	24.4 Å²	24.4	3%	0.026	11%	0.111	C	C	.	.	H	α-helix	trans	-59	-49.4	178.6	176.3	56.6	0	0	0	110.8	A324 V503 Y528 M541 C542 R547 S548 L549 V557 T559	A324-L545 HydrophobicContact CB-CD1 3.68Å; V503-L545 HydrophobicContact CG1-CB 4.14Å; V503-L545 HydrophobicContact CG1-CD1 4.1Å; Y528-L545 HydrophobicContact CE1-CD2 4.13Å; Y528-L545 VanDerWaalsContact OH-CD2 3.28Å; Y528-L545 WeakPolarHBondContact OH-CD2 3.48Å; M541-L545 WeakPolarHBondContact O-CB 2.91Å; M541-L545 PolarHBondContact O-N 3.18Å; C542-L545 WeakPolarHBondContact O-CB 3.28Å; C542-L545 PolarHBondContact O-N 3.32Å; L545-R547 VanDerWaalsContact C-N 3.26Å; L545-R547 PolarHBondContact O-N 3.38Å; L545-S548 WeakPolarHBondContact O-CA 3.46Å; L545-S548 PolarHBondContact O-N 3.26Å; L545-L549 HydrophobicContact CD1-CD2 4.4Å; L545-L549 WeakPolarHBondContact O-CG 3.42Å; L545-L549 PolarHBondContact O-N 3.4Å; L545-V557 HydrophobicContact CD1-CG1 3.89Å; L545-T559 HydrophobicContact CD1-CG2 3.97Å; L545-T559 HydrophobicContact CD2-CG2 3.73Å; L545-T559 HydrophobicContact CG-CG2 4.18Å
546	K	94.3	Very high	93	Very high	123 Å²	123	26.4 Å²	26.4	54%	0.535	12%	0.119	S	C	.	.	H	α-helix	trans	-51.9	-43.6	177.4	-176.5	-179.4	177	-175.1	0	112.6	C542	C542-K546 PolarHBondContact O-N 2.98Å
547	R	92.7	Very high	93.1	Very high	17 Å²	17	26.6 Å²	26.6	6%	0.064	12%	0.121	C	C	.	.	H	α-helix	trans	-73.7	-35.6	176.4	-70.7	165.5	-179.7	72.6	2	112.4	D255 M258 D259 V262 L310 E543 R544 L545 L549 R550	D255-R547 PolarHBondContact O-NH2 2.98Å; D255-R547 IonicContact OD1-NH2 2.66Å; M258-R547 VanDerWaalsContact CB-CZ 3.49Å; D259-R547 IonicContact OD1-CZ 3.01Å; D259-R547 VanDerWaalsContact OD1-CZ 3.27Å; D259-R547 IonicContact OD1-NE 2.74Å; D259-R547 PolarHBondContact OD1-NE 3.27Å; D259-R547 IonicContact OD1-NH2 2.87Å; D259-R547 PolarHBondContact OD1-NH2 3.46Å; V262-R547 HydrophobicContact CG1-CB 4.35Å; V262-R547 HydrophobicContact CG2-CB 3.9Å; V262-R547 HydrophobicContact CG2-CG 4.44Å; L310-R547 HydrophobicContact CD1-CB 4.06Å; L310-R547 HydrophobicContact CD1-CG 3.97Å; E543-R547 PolarHBondContact O-N 3.12Å; E543-R547 PolarHBondContact O-NH1 2.83Å; E543-R547 IonicContact OE2-CZ 2.71Å; E543-R547 IonicContact OE2-NH1 2.99Å; E543-R547 PolarHBondContact OE2-NH1 3.24Å; E543-R547 IonicContact OE2-NH2 3.2Å; R544-R547 PolarHBondContact O-N 3.3Å; L545-R547 VanDerWaalsContact C-N 3.26Å; L545-R547 PolarHBondContact O-N 3.38Å; R547-L549 VanDerWaalsContact C-N 3.31Å; R547-L549 PolarHBondContact O-N 3.24Å; R547-R550 PolarHBondContact O-N 3.35Å
548	S	91.6	Very high	93	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.007	14%	0.139	C	C	.	.	H	α-helix	trans	-71.5	-22.9	-177.9	-62.8	0	0	0	0	113.8	R544 L545 R550 L551 V557	R544-S548 VanDerWaalsContact O-CB 3.25Å; R544-S548 WeakPolarHBondContact O-CB 3.46Å; R544-S548 PolarHBondContact O-N 2.9Å; R544-S548 PolarHBondContact O-OG 3.05Å; L545-S548 WeakPolarHBondContact O-CA 3.46Å; L545-S548 PolarHBondContact O-N 3.26Å; S548-R550 PolarHBondContact O-N 3.38Å; S548-L551 WeakPolarHBondContact O-CB 3.24Å; S548-L551 PolarHBondContact O-N 2.82Å; S548-V557 WeakPolarHBondContact O-CG2 3.4Å
549	L	89.8	Confident	93	Very high	42 Å²	42	31.3 Å²	31.3	22%	0.22	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-19.6	172.5	-69.7	175	0	0	0	113.3	L545 R547 V557 T559	L545-L549 HydrophobicContact CD1-CD2 4.4Å; L545-L549 WeakPolarHBondContact O-CG 3.42Å; L545-L549 PolarHBondContact O-N 3.4Å; R547-L549 VanDerWaalsContact C-N 3.31Å; R547-L549 PolarHBondContact O-N 3.24Å; L549-V557 HydrophobicContact CD2-CB 4.42Å; L549-V557 HydrophobicContact CD2-CG1 4.21Å; L549-V557 WeakPolarHBondContact CD2-O 3.41Å; L549-T559 HydrophobicContact CD2-CG2 4.47Å
550	R	85.3	Confident	93	Very high	130 Å²	130	29.7 Å²	29.7	49%	0.491	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-128.1	29.3	-178.4	-53.5	178.9	-178	170.6	-3.8	112.2	L310 E311 A313 R547 S548 P552	L310-R550 VanDerWaalsContact O-CB 3.31Å; L310-R550 WeakPolarHBondContact O-CB 3.43Å; E311-R550 IonicContact OE1-NH1 2.73Å; E311-R550 PolarHBondContact OE1-NH1 3.35Å; A313-R550 WeakPolarHBondContact CB-O 3.32Å; R547-R550 PolarHBondContact O-N 3.35Å; S548-R550 PolarHBondContact O-N 3.38Å; R550-P552 WeakPolarHBondContact O-CD 3.04Å
551	L	89.4	Confident	92.9	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.14	C	C	.	.			trans	-69.1	112.3	-171	-168.8	68.1	0	0	0	113.1	V262 M266 H317 V505 L508 S548 G553 G554	V262-L551 HydrophobicContact CG1-CD1 3.95Å; M266-L551 HydrophobicContact CE-CD1 4.19Å; M266-L551 HydrophobicContact CG-CD1 3.73Å; M266-L551 HydrophobicContact SD-CD1 3.63Å; H317-L551 PolarHBondContact CE1-O 2.91Å; H317-L551 PolarHBondContact ND1-O 2.82Å; H317-L551 VanDerWaalsContact ND1-O 3.09Å; V505-L551 HydrophobicContact CB-CD2 4.5Å; V505-L551 HydrophobicContact CG1-CD2 3.91Å; V505-L551 HydrophobicContact CG2-CD1 4.01Å; V505-L551 HydrophobicContact CG2-CD2 4.05Å; L508-L551 HydrophobicContact CD1-CD2 3.76Å; S548-L551 WeakPolarHBondContact O-CB 3.24Å; S548-L551 PolarHBondContact O-N 2.82Å; L551-G553 PolarHBondContact O-N 2.77Å; L551-G554 PolarHBondContact O-N 3.43Å
552	P	89.9	Confident	92.7	Very high	6 Å²	6	29 Å²	29	4%	0.039	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	134.3	176	-16.5	29.2	0	0	0	111.5	M266 E276 F309 A313 R550 G554	M266-P552 HydrophobicContact CE-CB 4.25Å; M266-P552 HydrophobicContact CE-CG 4.33Å; M266-P552 VanDerWaalsContact CE-O 3.22Å; M266-P552 WeakPolarHBondContact CE-O 3.41Å; E276-P552 HydrophobicContact CB-CB 4.45Å; E276-P552 HydrophobicContact CG-CB 4.05Å; F309-P552 HydrophobicContact CD1-CG 4.41Å; F309-P552 HydrophobicContact CE1-CG 3.94Å; F309-P552 HydrophobicContact CE2-CG 4.42Å; F309-P552 HydrophobicContact CZ-CB 4.23Å; F309-P552 HydrophobicContact CZ-CG 3.94Å; A313-P552 HydrophobicContact CB-CB 4.3Å; A313-P552 HydrophobicContact CB-CG 3.9Å; R550-P552 WeakPolarHBondContact O-CD 3.04Å; P552-G554 PolarHBondContact O-N 2.82Å; P552-G554 VanDerWaalsContact O-N 3.14Å
553	G	88.4	Confident	92.5	Very high	12 Å²	12	33.4 Å²	33.4	12%	0.124	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.4	-2.6	-179.8	0	0	0	0	0	114.8	A316 L551	A316-G553 WeakPolarHBondContact O-CA 3Å; A316-G553 PolarHBondContact O-N 2.87Å; L551-G553 PolarHBondContact O-N 2.77Å
554	G	91.3	Very high	92.4	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.173	C	C	.	.	S	Bend	trans	-95.6	-179.7	175.9	0	0	0	0	0	113.5	H317 L318 L551 P552	H317-G554 CarbonylContact C-O 3.6Å; H317-G554 VanDerWaalsContact CA-O 3.25Å; H317-G554 WeakPolarHBondContact CA-O 3.29Å; L318-G554 PolarHBondContact N-O 3.43Å; L551-G554 PolarHBondContact O-N 3.43Å; P552-G554 PolarHBondContact O-N 2.82Å; P552-G554 VanDerWaalsContact O-N 3.14Å
555	P	93.3	Very high	92.2	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	164.7	172.5	30.2	-33.6	0	0	0	112.5	F320 I322 L508 V512 V557	F320-P555 HydrophobicContact CD1-CB 4.44Å; F320-P555 WeakPolarHBondContact O-CB 3.31Å; I322-P555 HydrophobicContact CD1-CB 4.02Å; I322-P555 HydrophobicContact CD1-CG 3.51Å; I322-P555 HydrophobicContact CG1-CB 4.13Å; I322-P555 HydrophobicContact CG1-CG 4.13Å; L508-P555 HydrophobicContact CB-CG 4.08Å; V512-P555 HydrophobicContact CG2-CB 3.74Å; V512-P555 HydrophobicContact CG2-CG 3.81Å; P555-V557 PolarHBondContact O-N 3.38Å
556	L	92.7	Very high	92.2	Very high	49 Å²	49	34.7 Å²	34.7	26%	0.257	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	102.9	171.4	-177.6	68.2	0	0	0	109.8	F320 R321 I322 K558	F320-L556 PolarHBondContact O-N 2.98Å; R321-L556 CarbonylContact C-O 3.54Å; R321-L556 VanDerWaalsContact CA-O 3.3Å; R321-L556 WeakPolarHBondContact CA-O 3.49Å; R321-L556 HydrophobicContact CG-CB 4.3Å; R321-L556 HydrophobicContact CG-CD2 3.94Å; I322-L556 PolarHBondContact N-O 3.5Å; L556-K558 HydrophobicContact CG-CG 4.48Å
557	V	94.4	Very high	92.2	Very high	5 Å²	5	32.2 Å²	32.2	3%	0.03	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	133.2	177.7	-172.3	0	0	0	0	110.2	I322 A324 L508 L545 S548 L549 P555	I322-V557 CarbonylContact O-C 3.42Å; I322-V557 WeakPolarHBondContact O-CA 3.1Å; A324-V557 HydrophobicContact CB-CG1 4.2Å; L508-V557 HydrophobicContact CD1-CG2 3.99Å; L508-V557 HydrophobicContact CD2-CG2 3.74Å; L545-V557 HydrophobicContact CD1-CG1 3.89Å; S548-V557 WeakPolarHBondContact O-CG2 3.4Å; L549-V557 HydrophobicContact CD2-CB 4.42Å; L549-V557 HydrophobicContact CD2-CG1 4.21Å; L549-V557 WeakPolarHBondContact CD2-O 3.41Å; P555-V557 PolarHBondContact O-N 3.38Å
558	K	94.2	Very high	92.2	Very high	87 Å²	87	34.6 Å²	34.6	38%	0.378	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	160.8	174.2	-66.5	-165.2	174	-166.1	0	110.2	I322 Y323 A324 L556	I322-K558 PolarHBondContact O-N 3.48Å; Y323-K558 CarbonylContact C-O 3.52Å; Y323-K558 WeakPolarHBondContact CA-O 3.38Å; Y323-K558 HydrophobicContact CD1-CB 3.76Å; Y323-K558 HydrophobicContact CE1-CB 3.67Å; Y323-K558 HydrophobicContact CE1-CD 3.91Å; Y323-K558 HydrophobicContact CE1-CG 4.33Å; A324-K558 PolarHBondContact N-O 2.64Å; L556-K558 HydrophobicContact CG-CG 4.48Å
559	T	95.2	Very high	92.3	Very high	29 Å²	29	34.6 Å²	34.6	18%	0.178	17%	0.172	C	C	.	.			trans	-118.2	160.8	169.6	58.1	0	0	0	0	109	D361 L545 L549	D361-T559 WeakPolarHBondContact O-CB 3.42Å; D361-T559 WeakPolarHBondContact O-CG2 3.48Å; D361-T559 PolarHBondContact O-OG1 3.33Å; L545-T559 HydrophobicContact CD1-CG2 3.97Å; L545-T559 HydrophobicContact CD2-CG2 3.73Å; L545-T559 HydrophobicContact CG-CG2 4.18Å; L549-T559 HydrophobicContact CD2-CG2 4.47Å
560	G	93.4	Very high	92.5	Very high	8 Å²	8	34.5 Å²	34.5	8%	0.082	17%	0.172	C	C	.	.			trans	160.4	179.2	-179.9	0	0	0	0	0	113.7	H363	H363-G560 WeakPolarHBondContact ND1-CA 3.25Å
561	P	93.8	Very high	92.9	Very high	46 Å²	46	32 Å²	32	30%	0.299	18%	0.179	S	C	.	.			trans	-68.3	152.7	174.6	29.2	-34.1	0	0	0	111.5	K563 L564	P561-K563 PolarHBondContact O-N 3.29Å; P561-L564 HydrophobicContact CG-CB 4.06Å; P561-L564 WeakPolarHBondContact O-CB 3.34Å; P561-L564 PolarHBondContact O-N 3.04Å
562	P	92.7	Very high	93	Very high	3 Å²	3	35.1 Å²	35.1	2%	0.019	20%	0.196	C	C	.	.	H	α-helix	trans	-53.6	-38.5	175.3	-20.8	26	0	0	0	113.6	L325 H396 V398 E436 W438 L564 V565 F566	L325-P562 HydrophobicContact CD2-CG 3.85Å; H396-P562 HydrophobicContact CB-CG 4.43Å; V398-P562 HydrophobicContact CG1-CG 3.61Å; E436-P562 WeakPolarHBondContact OE1-CB 3.28Å; W438-P562 HydrophobicContact CH2-CB 4.44Å; W438-P562 HydrophobicContact CH2-CG 4.36Å; W438-P562 HydrophobicContact CZ3-CB 3.94Å; W438-P562 HydrophobicContact CZ3-CG 4.13Å; P562-L564 PolarHBondContact O-N 3.23Å; P562-L564 VanDerWaalsContact O-N 3.14Å; P562-V565 WeakPolarHBondContact O-CB 3.41Å; P562-V565 PolarHBondContact O-N 2.9Å; P562-F566 PolarHBondContact O-N 3.4Å
563	K	92.6	Very high	93.2	Very high	99 Å²	99	38.6 Å²	38.6	43%	0.43	21%	0.208	S	C	.	.	H	α-helix	trans	-50.4	-40.6	176.7	-168.9	-168.5	-177.5	-48.6	0	112.4	P561 V565 F566 D567	P561-K563 PolarHBondContact O-N 3.29Å; K563-V565 PolarHBondContact O-N 3.01Å; K563-F566 PolarHBondContact O-N 2.93Å; K563-D567 IonicContact NZ-OD1 3.85Å; K563-D567 PolarHBondContact NZ-OD1 2.75Å; K563-D567 IonicContact NZ-OD2 2.88Å; K563-D567 PolarHBondContact NZ-OD2 3.47Å; K563-D567 WeakPolarHBondContact O-CB 3.33Å; K563-D567 PolarHBondContact O-N 2.91Å
564	L	93.2	Very high	93.5	Very high	62 Å²	62	44.1 Å²	44.1	33%	0.325	25%	0.245	S	C	.	.	H	α-helix	trans	-66.4	-28.5	-178.6	-173.9	138.9	0	0	0	112.1	Y323 P561 P562 H568	Y323-L564 HydrophobicContact CD1-CD2 3.61Å; Y323-L564 HydrophobicContact CE1-CD2 3Å; P561-L564 HydrophobicContact CG-CB 4.06Å; P561-L564 WeakPolarHBondContact O-CB 3.34Å; P561-L564 PolarHBondContact O-N 3.04Å; P562-L564 PolarHBondContact O-N 3.23Å; P562-L564 VanDerWaalsContact O-N 3.14Å; L564-H568 PolarHBondContact O-N 3.01Å; L564-H568 PolarHBondContact O-ND1 3.32Å
565	V	93.1	Very high	93.6	Very high	5 Å²	5	48.3 Å²	48.3	3%	0.03	27%	0.267	C	S	.	.	H	α-helix	trans	-72.3	-49.5	174.6	-170.8	0	0	0	0	110.3	Y323 L525 P562 K563 D567 H568 I569	Y323-V565 HydrophobicContact CD1-CG2 4.17Å; Y323-V565 HydrophobicContact CD2-CB 4.33Å; Y323-V565 HydrophobicContact CD2-CG1 4.05Å; Y323-V565 HydrophobicContact CD2-CG2 3.84Å; Y323-V565 HydrophobicContact CG-CB 4.47Å; Y323-V565 HydrophobicContact CG-CG2 3.51Å; L525-V565 HydrophobicContact CB-CG1 4.32Å; L525-V565 HydrophobicContact CD1-CG2 3.89Å; P562-V565 WeakPolarHBondContact O-CB 3.41Å; P562-V565 PolarHBondContact O-N 2.9Å; K563-V565 PolarHBondContact O-N 3.01Å; V565-D567 VanDerWaalsContact C-N 3.32Å; V565-D567 PolarHBondContact O-N 3.28Å; V565-H568 PolarHBondContact O-N 3.01Å; V565-I569 HydrophobicContact CG1-CD1 3.91Å; V565-I569 WeakPolarHBondContact O-CG1 3.5Å; V565-I569 PolarHBondContact O-N 3.15Å
566	F	95.4	Very high	93.7	Very high	4 Å²	4	49.1 Å²	49.1	2%	0.018	27%	0.271	C	S	.	.	H	α-helix	trans	-62.7	-37.6	178.7	-76.7	-69.3	0	0	0	112.5	E436 H460 M462 H492 P562 K563 H568 I569 N570	E436-F566 HydrophobicContact CB-CE2 4.01Å; E436-F566 HydrophobicContact CG-CE2 4.41Å; H460-F566 HydrophobicContact CB-CD1 3.72Å; H460-F566 HydrophobicContact CB-CD2 3.9Å; H460-F566 HydrophobicContact CB-CE1 3.74Å; H460-F566 HydrophobicContact CB-CE2 3.91Å; H460-F566 HydrophobicContact CB-CG 3.8Å; H460-F566 HydrophobicContact CB-CZ 3.83Å; H460-F566 AromaticContact CD2-CD1 3.87Å; H460-F566 AromaticContact CD2-CG 3.9Å; H460-F566 AromaticContact CG-CD1 3.79Å; H460-F566 AromaticContact CG-CG 3.61Å; H460-F566 AromaticContact ND1-CG 3.98Å; M462-F566 HydrophobicContact CB-CZ 4.2Å; H492-F566 HydrophobicContact CB-CE1 3.95Å; H492-F566 HydrophobicContact CB-CZ 4.35Å; P562-F566 PolarHBondContact O-N 3.4Å; K563-F566 PolarHBondContact O-N 2.93Å; F566-H568 VanDerWaalsContact C-N 3.34Å; F566-H568 PolarHBondContact O-N 3.2Å; F566-I569 PolarHBondContact O-N 3.36Å; F566-N570 WeakPolarHBondContact O-CB 3.43Å; F566-N570 PolarHBondContact O-N 3.34Å; F566-N570 PolarHBondContact O-ND2 3.12Å
567	D	94.5	Very high	93.9	Very high	71 Å²	71	48.8 Å²	48.8	38%	0.38	27%	0.271	S	S	.	.	H	α-helix	trans	-59.3	-43.9	174.4	-70	-15.8	0	0	0	111.2	K563 V565 A571	K563-D567 IonicContact NZ-OD1 3.85Å; K563-D567 PolarHBondContact NZ-OD1 2.75Å; K563-D567 IonicContact NZ-OD2 2.88Å; K563-D567 PolarHBondContact NZ-OD2 3.47Å; K563-D567 WeakPolarHBondContact O-CB 3.33Å; K563-D567 PolarHBondContact O-N 2.91Å; V565-D567 VanDerWaalsContact C-N 3.32Å; V565-D567 PolarHBondContact O-N 3.28Å; D567-A571 PolarHBondContact O-N 2.84Å
568	H	93	Very high	94	Very high	68 Å²	68	51.5 Å²	51.5	32%	0.315	29%	0.288	S	S	.	.	H	α-helix	trans	-70.9	-35.8	177.5	-74.1	113.4	0	0	0	113.6	Y323 L564 V565 F566 N572	Y323-H568 AromaticContact CZ-ND1 3.6Å; Y323-H568 PolarHBondContact OH-CE1 3.31Å; Y323-H568 PolarHBondContact OH-ND1 2.54Å; L564-H568 PolarHBondContact O-N 3.01Å; L564-H568 PolarHBondContact O-ND1 3.32Å; V565-H568 PolarHBondContact O-N 3.01Å; F566-H568 VanDerWaalsContact C-N 3.34Å; F566-H568 PolarHBondContact O-N 3.2Å; H568-N572 PolarHBondContact O-ND2 3.41Å
569	I	93.7	Very high	94.2	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-66.2	-48.7	174	-67.4	170.6	0	0	0	109.5	H492 V565 F566 A571 N572 M576	H492-I569 HydrophobicContact CB-CD1 4.13Å; V565-I569 HydrophobicContact CG1-CD1 3.91Å; V565-I569 WeakPolarHBondContact O-CG1 3.5Å; V565-I569 PolarHBondContact O-N 3.15Å; F566-I569 PolarHBondContact O-N 3.36Å; I569-A571 VanDerWaalsContact C-N 3.27Å; I569-A571 PolarHBondContact O-N 2.91Å; I569-N572 PolarHBondContact O-N 3.14Å; I569-M576 HydrophobicContact CG2-CE 4.11Å; I569-M576 HydrophobicContact CG2-SD 3.62Å
570	N	92.5	Very high	94.4	Very high	40 Å²	40	53.2 Å²	53.2	21%	0.214	30%	0.299	C	S	.	.	H	α-helix	trans	-65.5	-25.4	-179.3	-81.3	-29.8	0	0	0	113.8	H460 C490 F566 N572 R573	H460-N570 PolarHBondContact CD2-ND2 3.27Å; H460-N570 PolarHBondContact NE2-ND2 2.9Å; C490-N570 WeakPolarHBondContact CB-OD1 3.49Å; C490-N570 PolarHBondContact SG-OD1 3Å; F566-N570 WeakPolarHBondContact O-CB 3.43Å; F566-N570 PolarHBondContact O-N 3.34Å; F566-N570 PolarHBondContact O-ND2 3.12Å; N570-N572 PolarHBondContact O-N 2.89Å; N570-R573 WeakPolarHBondContact O-CB 3.24Å; N570-R573 PolarHBondContact O-N 3.42Å
571	A	93.5	Very high	94.6	Very high	78 Å²	78	53.3 Å²	53.3	65%	0.645	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-22	170.9	0	0	0	0	0	112.8	D567 I569	D567-A571 PolarHBondContact O-N 2.84Å; I569-A571 VanDerWaalsContact C-N 3.27Å; I569-A571 PolarHBondContact O-N 2.91Å
572	N	92.6	Very high	94.8	Very high	66 Å²	66	52.6 Å²	52.6	35%	0.353	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108	19.5	176.7	-58.9	-77.2	0	0	0	113.1	R520 H568 I569 N570 S574 N575 M576	R520-N572 WeakPolarHBondContact O-CB 3.26Å; H568-N572 PolarHBondContact O-ND2 3.41Å; I569-N572 PolarHBondContact O-N 3.14Å; N570-N572 PolarHBondContact O-N 2.89Å; N572-S574 VanDerWaalsContact C-N 3.29Å; N572-S574 PolarHBondContact O-N 2.98Å; N572-N575 PolarHBondContact O-N 3.19Å; N572-M576 PolarHBondContact O-N 2.82Å
573	R	94.6	Very high	95	Very high	79 Å²	79	52.5 Å²	52.5	30%	0.298	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-53.8	-39.4	-173.6	172.7	164.7	-169.6	127	-3.2	114.5	I480 E488 N570 N575 M576	I480-R573 HydrophobicContact CD1-CG 3.96Å; I480-R573 VanDerWaalsContact CD1-CZ 3.42Å; I480-R573 HydrophobicContact CG1-CG 4.36Å; E488-R573 PolarHBondContact O-NH2 2.8Å; E488-R573 IonicContact OE2-CZ 3.28Å; E488-R573 IonicContact OE2-NH2 3.25Å; E488-R573 PolarHBondContact OE2-NH2 3.33Å; N570-R573 WeakPolarHBondContact O-CB 3.24Å; N570-R573 PolarHBondContact O-N 3.42Å; R573-N575 PolarHBondContact O-N 3.14Å; R573-N575 VanDerWaalsContact O-N 3.14Å; R573-M576 HydrophobicContact CB-CE 3.88Å; R573-M576 HydrophobicContact CG-CE 4.19Å; R573-M576 PolarHBondContact O-N 2.94Å; R573-M576 VanDerWaalsContact O-N 3.14Å
574	S	93.9	Very high	95.2	Very high	127 Å²	127	48.6 Å²	48.6	89%	0.888	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-63.9	-16.3	179.2	54.4	0	0	0	0	114.2	N572	N572-S574 VanDerWaalsContact C-N 3.29Å; N572-S574 PolarHBondContact O-N 2.98Å
575	N	93.7	Very high	95.4	Very high	89 Å²	89	45.7 Å²	45.7	48%	0.476	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-108.9	3.9	179.4	-163.9	26.6	0	0	0	112.8	R520 N572 R573	R520-N575 WeakPolarHBondContact CA-ND2 3.44Å; R520-N575 VanDerWaalsContact CD-O 3.29Å; R520-N575 WeakPolarHBondContact CD-O 3.48Å; R520-N575 WeakPolarHBondContact CG-O 2.94Å; N572-N575 PolarHBondContact O-N 3.19Å; R573-N575 PolarHBondContact O-N 3.14Å; R573-N575 VanDerWaalsContact O-N 3.14Å
576	M	94.9	Very high	95.4	Very high	17 Å²	17	45.9 Å²	45.9	8%	0.084	26%	0.26	C	S	.	.	S	Bend	trans	-83.9	150.1	177	-69.2	-161.9	-74	0	0	111.2	I480 I569 N572 R573	I480-M576 HydrophobicContact CD1-CE 3.43Å; I480-M576 VanDerWaalsContact CD1-CE 3.43Å; I480-M576 HydrophobicContact CG1-CB 4.18Å; I480-M576 HydrophobicContact CG1-CE 4.16Å; I569-M576 HydrophobicContact CG2-CE 4.11Å; I569-M576 HydrophobicContact CG2-SD 3.62Å; N572-M576 PolarHBondContact O-N 2.82Å; R573-M576 HydrophobicContact CB-CE 3.88Å; R573-M576 HydrophobicContact CG-CE 4.19Å; R573-M576 PolarHBondContact O-N 2.94Å; R573-M576 VanDerWaalsContact O-N 3.14Å
577	V	96.5	Very high	95.4	Very high	41 Å²	41	46.3 Å²	46.3	25%	0.248	26%	0.262	C	S	.	.			trans	-78.8	155	173	-60.2	0	0	0	0	110.9	N476 F479 I480	N476-V577 HydrophobicContact CB-CG2 4.22Å; N476-V577 WeakPolarHBondContact ND2-CG2 3.45Å; N476-V577 VanDerWaalsContact OD1-CG2 3.25Å; N476-V577 WeakPolarHBondContact OD1-CG2 3.17Å; F479-V577 HydrophobicContact CB-CG2 3.9Å; F479-V577 WeakPolarHBondContact CB-O 3.46Å; I480-V577 PolarHBondContact N-O 2.99Å
578	T	97.8	Very high	95.5	Very high	63 Å²	63	43.1 Å²	43.1	39%	0.387	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	131	175.7	-54.2	0	0	0	0	110.6	I480 R482 V580	I480-T578 HydrophobicContact CB-CG2 4.48Å; I480-T578 HydrophobicContact CG2-CG2 4.26Å; I480-T578 CarbonylContact O-C 3.24Å; I480-T578 VanDerWaalsContact O-CA 3.25Å; I480-T578 WeakPolarHBondContact O-CA 3.46Å; R482-T578 HydrophobicContact CB-CG2 3.8Å; T578-V580 HydrophobicContact CG2-CG2 4.07Å
579	W	98.2	Very high	95.7	Very high	60 Å²	60	39.9 Å²	39.9	23%	0.227	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	128	166	-173.1	-81.5	0	0	0	109.1	F474 P475 F479 I480 R482 E582 L583 W887	F474-W579 HydrophobicContact CD2-CH2 4.43Å; F474-W579 HydrophobicContact CD2-CZ3 4.41Å; F474-W579 AromaticContact CE2-CD2 3.8Å; F474-W579 HydrophobicContact CE2-CD2 3.8Å; F474-W579 AromaticContact CE2-CE2 3.97Å; F474-W579 AromaticContact CE2-CE3 3.68Å; F474-W579 HydrophobicContact CE2-CE3 3.68Å; F474-W579 AromaticContact CE2-CH2 3.92Å; F474-W579 HydrophobicContact CE2-CH2 3.92Å; F474-W579 HydrophobicContact CE2-CZ2 4.03Å; F474-W579 AromaticContact CE2-CZ3 3.74Å; F474-W579 HydrophobicContact CE2-CZ3 3.74Å; F474-W579 AromaticContact CZ-CD2 3.99Å; F474-W579 HydrophobicContact CZ-CD2 3.99Å; F474-W579 AromaticContact CZ-CE3 3.88Å; F474-W579 HydrophobicContact CZ-CE3 3.88Å; F474-W579 HydrophobicContact CZ-CG 4.36Å; F474-W579 HydrophobicContact CZ-CZ3 4.34Å; P475-W579 HydrophobicContact CG-CE3 4.48Å; P475-W579 HydrophobicContact CG-CZ3 3.95Å; F479-W579 HydrophobicContact CD2-CB 3.76Å; F479-W579 HydrophobicContact CE2-CB 3.93Å; I480-W579 PolarHBondContact O-N 2.79Å; R482-W579 PolarHBondContact N-O 2.82Å; W579-E582 PolarHBondContact NE1-O 2.87Å; W579-L583 HydrophobicContact CD2-CD2 4.16Å; W579-L583 HydrophobicContact CG-CD2 3.82Å; W579-W887 HydrophobicContact CH2-CE3 4.47Å; W579-W887 AromaticContact CH2-CH2 3.97Å; W579-W887 HydrophobicContact CH2-CH2 3.97Å; W579-W887 AromaticContact CH2-CZ3 3.9Å; W579-W887 HydrophobicContact CH2-CZ3 3.9Å; W579-W887 HydrophobicContact CZ3-CH2 4.49Å
580	V	98.3	Very high	95.9	Very high	92 Å²	92	39.9 Å²	39.9	56%	0.558	23%	0.23	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-109.1	131.9	-175.6	-174.4	0	0	0	0	110.2	R482 T578	R482-V580 HydrophobicContact CB-CG2 4.22Å; R482-V580 CarbonylContact O-C 3.55Å; R482-V580 WeakPolarHBondContact O-CA 3.05Å; T578-V580 HydrophobicContact CG2-CG2 4.07Å
581	G	98	Very high	96.1	Very high	9 Å²	9	38 Å²	38	9%	0.093	22%	0.219	C	C	.	.	S	Bend	trans	84.6	-147.3	175.3	0	0	0	0	0	113.5	W481 R482	W481-G581 PolarHBondContact NE1-O 2.82Å; R482-G581 PolarHBondContact O-N 3.28Å
582	E	97.5	Very high	96.4	Very high	32 Å²	32	34.6 Å²	34.6	15%	0.15	19%	0.19	C	C	.	.			trans	-68.6	147.3	-172.8	66.8	-177.1	175.7	0	0	113.2	Y445 W579 R879	Y445-E582 WeakPolarHBondContact O-CA 3.24Å; W579-E582 PolarHBondContact NE1-O 2.87Å; E582-R879 IonicContact OE1-CZ 2.96Å; E582-R879 IonicContact OE1-NE 2.81Å; E582-R879 PolarHBondContact OE1-NE 3.22Å; E582-R879 IonicContact OE1-NH2 2.91Å; E582-R879 IonicContact OE2-CZ 3.07Å; E582-R879 IonicContact OE2-NE 3.59Å; E582-R879 PolarHBondContact OE2-NE 3.43Å; E582-R879 IonicContact OE2-NH2 3.62Å; E582-R879 PolarHBondContact OE2-NH2 3.49Å
583	L	97.9	Very high	96.7	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.005	18%	0.175	C	C	.	.	B	Isolated β-bridge	trans	-100.4	90.8	166	-61	166.5	0	0	0	107.4	Y445 F461 L466 F474 F479 W481 W579	Y445-L583 HydrophobicContact CD2-CB 3.69Å; Y445-L583 HydrophobicContact CD2-CD1 4.35Å; Y445-L583 WeakPolarHBondContact CD2-O 3.45Å; Y445-L583 HydrophobicContact CG-CB 4.24Å; Y445-L583 HydrophobicContact CG-CD1 4.46Å; Y445-L583 PolarHBondContact N-O 3.15Å; Y445-L583 PolarHBondContact O-N 2.87Å; F461-L583 HydrophobicContact CE1-CD1 4.07Å; L466-L583 HydrophobicContact CD1-CB 3.77Å; L466-L583 HydrophobicContact CD1-CD1 4.03Å; L466-L583 HydrophobicContact CD1-CD2 4.13Å; L466-L583 HydrophobicContact CD1-CG 4.2Å; L466-L583 HydrophobicContact CD2-CB 4.22Å; F474-L583 HydrophobicContact CE2-CD2 3.61Å; F474-L583 HydrophobicContact CZ-CD2 3.63Å; F479-L583 HydrophobicContact CE2-CD1 4.45Å; F479-L583 HydrophobicContact CE2-CD2 3.99Å; F479-L583 HydrophobicContact CZ-CD1 4.18Å; F479-L583 HydrophobicContact CZ-CD2 4.04Å; W481-L583 HydrophobicContact CD2-CD1 3.78Å; W481-L583 HydrophobicContact CD2-CG 4.38Å; W481-L583 HydrophobicContact CE3-CD1 3.99Å; W481-L583 HydrophobicContact CG-CD1 4.39Å; W481-L583 HydrophobicContact CH2-CD1 3.96Å; W481-L583 HydrophobicContact CZ2-CD1 3.78Å; W481-L583 HydrophobicContact CZ2-CG 4.02Å; W481-L583 HydrophobicContact CZ3-CD1 4.08Å; W579-L583 HydrophobicContact CD2-CD2 4.16Å; W579-L583 HydrophobicContact CG-CD2 3.82Å
584	Y	96.9	Very high	96.8	Very high	16 Å²	16	28 Å²	28	6%	0.063	16%	0.161	C	C	.	.			trans	-72.2	127.7	-177.4	-174.7	-101.1	0	0	0	111.3	E586 N589 A890 K891 E893 V894	Y584-E586 HydrophobicContact CD1-CG 3.96Å; Y584-E586 HydrophobicContact CE1-CG 4.07Å; Y584-N589 PolarHBondContact OH-ND2 2.87Å; Y584-N589 PolarHBondContact OH-OD1 2.69Å; Y584-A890 HydrophobicContact CE1-CB 4.14Å; Y584-A890 PolarHBondContact OH-O 2.91Å; Y584-K891 HydrophobicContact CD1-CG 4.14Å; Y584-K891 HydrophobicContact CD2-CG 4.39Å; Y584-K891 HydrophobicContact CE1-CG 3.93Å; Y584-K891 HydrophobicContact CE2-CG 4.21Å; Y584-K891 HydrophobicContact CG-CG 4.37Å; Y584-E893 PolarHBondContact OH-O 3.27Å; Y584-V894 HydrophobicContact CE2-CG1 4.19Å
585	L	96.7	Very high	97.1	Very high	1 Å²	1	22.6 Å²	22.6	1%	0.005	12%	0.121	C	C	.	.			trans	-93.1	122.4	172.8	-179.8	69.4	0	0	0	108.8	F443 K465 L466 M587 N589	F443-L585 HydrophobicContact CB-CD2 4.14Å; K465-L585 HydrophobicContact CB-CD1 4.49Å; K465-L585 HydrophobicContact CG-CD1 4.14Å; K465-L585 HydrophobicContact CG-CD2 3.85Å; K465-L585 WeakPolarHBondContact O-CD1 3.38Å; L466-L585 HydrophobicContact CD2-CB 4.41Å; L466-L585 HydrophobicContact CD2-CD1 4.45Å; L585-M587 HydrophobicContact CD1-CB 4.46Å; L585-M587 WeakPolarHBondContact CD2-O 3.43Å; L585-M587 HydrophobicContact CG-CB 4.18Å; L585-M587 WeakPolarHBondContact CG-O 3.19Å; L585-M587 PolarHBondContact O-N 2.99Å; L585-N589 PolarHBondContact O-OD1 2.76Å
586	E	94.5	Very high	97.3	Very high	10 Å²	10	18.5 Å²	18.5	5%	0.047	10%	0.1	C	C	.	.	S	Bend	trans	-84.7	34.3	-178.2	-53.9	-175.2	168.7	0	0	112.4	N469 N472 Y584 A890	N469-E586 HydrophobicContact CB-CB 4.13Å; N469-E586 HydrophobicContact CB-CG 4.19Å; N469-E586 PolarHBondContact OD1-N 3.14Å; N472-E586 WeakPolarHBondContact CB-OE1 3.42Å; N472-E586 PolarHBondContact N-OE2 2.76Å; N472-E586 VanDerWaalsContact ND2-CD 3.29Å; N472-E586 PolarHBondContact ND2-OE1 3.37Å; N472-E586 PolarHBondContact ND2-OE2 3.42Å; Y584-E586 HydrophobicContact CD1-CG 3.96Å; Y584-E586 HydrophobicContact CE1-CG 4.07Å; E586-A890 HydrophobicContact CB-CB 4.3Å; E586-A890 HydrophobicContact CG-CB 3.74Å
587	M	94.1	Very high	97.4	Very high	12 Å²	12	22 Å²	22	6%	0.059	12%	0.117	C	C	.	.	S	Bend	trans	-158	157.7	-172.7	-158.7	158.9	-150.3	0	0	109.4	W468 V470 L585 N589 Y779 W780 D784	W468-M587 HydrophobicContact CB-SD 4.26Å; W468-M587 HydrophobicContact CE3-SD 4.3Å; V470-M587 HydrophobicContact CG2-CE 4.11Å; V470-M587 HydrophobicContact CG2-CG 4.45Å; V470-M587 HydrophobicContact CG2-SD 4.15Å; L585-M587 HydrophobicContact CD1-CB 4.46Å; L585-M587 WeakPolarHBondContact CD2-O 3.43Å; L585-M587 HydrophobicContact CG-CB 4.18Å; L585-M587 WeakPolarHBondContact CG-O 3.19Å; L585-M587 PolarHBondContact O-N 2.99Å; M587-N589 VanDerWaalsContact C-N 3.26Å; M587-N589 PolarHBondContact O-N 3.44Å; M587-Y779 HydrophobicContact CE-CD2 3.3Å; M587-Y779 HydrophobicContact CE-CE2 3.67Å; M587-Y779 HydrophobicContact CE-CG 4.26Å; M587-W780 HydrophobicContact CE-CE3 3.73Å; M587-W780 HydrophobicContact CE-CH2 4.35Å; M587-W780 HydrophobicContact CE-CZ3 3.25Å; M587-W780 HydrophobicContact SD-CZ3 3.87Å; M587-D784 WeakPolarHBondContact CG-OD1 3.25Å
588	H	97.2	Very high	97.5	Very high	4 Å²	4	20.2 Å²	20.2	2%	0.019	11%	0.106	C	C	.	.			trans	62.2	26.4	-179.5	-53	171.4	0	0	0	114.7	F443 K465 G590 T591 W780 W783 D784	F443-H588 HydrophobicContact CB-CB 4.28Å; F443-H588 AromaticContact CD1-CE1 3.99Å; F443-H588 AromaticContact CD1-ND1 3.22Å; F443-H588 WeakPolarHBondContact CD1-ND1 3.46Å; F443-H588 HydrophobicContact CD2-CB 4.48Å; F443-H588 AromaticContact CE1-CE1 3.8Å; F443-H588 AromaticContact CE1-ND1 3.43Å; F443-H588 WeakPolarHBondContact CE1-ND1 3.15Å; F443-H588 HydrophobicContact CG-CB 4.21Å; F443-H588 AromaticContact CG-ND1 3.61Å; F443-H588 AromaticContact CZ-ND1 3.95Å; K465-H588 VanDerWaalsContact CE-CE1 3.41Å; K465-H588 WeakPolarHBondContact CE-CE1 3.42Å; H588-G590 PolarHBondContact O-N 2.74Å; H588-T591 HydrophobicContact CB-CG2 4.02Å; H588-T591 VanDerWaalsContact O-CB 3.31Å; H588-T591 WeakPolarHBondContact O-CB 3.5Å; H588-T591 VanDerWaalsContact O-CG2 3.23Å; H588-T591 WeakPolarHBondContact O-CG2 3.44Å; H588-T591 PolarHBondContact O-N 2.98Å; H588-T591 PolarHBondContact O-OG1 2.84Å; H588-W780 AromaticContact NE2-CE3 3.67Å; H588-W783 CarbonylContact C-O 3.43Å; H588-W783 WeakPolarHBondContact CA-O 3.08Å; H588-W783 HydrophobicContact CB-CB 4.14Å; H588-W783 AromaticContact CD2-CD1 3.78Å; H588-W783 AromaticContact CD2-CG 3.98Å; H588-W783 AromaticContact CE1-CD1 3.63Å; H588-W783 AromaticContact CG-CD1 3.67Å; H588-W783 AromaticContact ND1-CD1 3.57Å; H588-W783 AromaticContact NE2-CD1 3.8Å; H588-W783 VanDerWaalsContact O-O 3.12Å; H588-D784 WeakPolarHBondContact CA-OD1 3.48Å; H588-D784 IonicContact CD2-OD1 3.61Å; H588-D784 PolarHBondContact CD2-OD1 3.43Å; H588-D784 PolarHBondContact N-OD1 3.07Å
589	N	96	Very high	97.6	Very high	1 Å²	1	17.2 Å²	17.2	1%	0.005	9%	0.088	C	C	.	.	G	3₁₀ helix	trans	-67.1	-17.3	-179.1	-70.7	-23.3	0	0	0	114.1	Y584 L585 M587 T591 Y592 W783 V785 E893	Y584-N589 PolarHBondContact OH-ND2 2.87Å; Y584-N589 PolarHBondContact OH-OD1 2.69Å; L585-N589 PolarHBondContact O-OD1 2.76Å; M587-N589 VanDerWaalsContact C-N 3.26Å; M587-N589 PolarHBondContact O-N 3.44Å; N589-T591 PolarHBondContact O-N 2.89Å; N589-Y592 HydrophobicContact CB-CE2 4.13Å; N589-Y592 WeakPolarHBondContact O-CD2 3.19Å; N589-Y592 PolarHBondContact OD1-OH 3.08Å; N589-W783 PolarHBondContact N-O 3.09Å; N589-V785 HydrophobicContact CB-CG1 3.63Å; N589-E893 HydrophobicContact CB-CB 4.1Å; N589-E893 HydrophobicContact CB-CG 4.31Å
590	G	97.7	Very high	97.6	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.089	C	C	.	.	G	3₁₀ helix	trans	-67.4	-23.2	175.2	0	0	0	0	0	112.8	H588 Y592 T593 T594 W783 R932	H588-G590 PolarHBondContact O-N 2.74Å; G590-Y592 PolarHBondContact O-N 2.89Å; G590-Y592 VanDerWaalsContact O-N 3.14Å; G590-T593 PolarHBondContact O-N 3.19Å; G590-T594 PolarHBondContact O-N 2.8Å; G590-T594 VanDerWaalsContact O-N 3.09Å; G590-T594 PolarHBondContact O-OG1 3.1Å; G590-W783 CarbonylContact C-O 3.49Å; G590-W783 WeakPolarHBondContact CA-O 3.22Å; G590-W783 PolarHBondContact N-O 2.81Å; G590-R932 WeakPolarHBondContact O-CD 3.14Å
591	T	98.3	Very high	97.6	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.07	C	C	.	.	G	3₁₀ helix	trans	-61.6	-21	179.9	61.5	0	0	0	0	114.8	F443 H588 N589 T593 K599 P649 T651 W783	F443-T591 HydrophobicContact CD2-CG2 3.92Å; F443-T591 HydrophobicContact CE2-CG2 4.39Å; H588-T591 HydrophobicContact CB-CG2 4.02Å; H588-T591 VanDerWaalsContact O-CB 3.31Å; H588-T591 WeakPolarHBondContact O-CB 3.5Å; H588-T591 VanDerWaalsContact O-CG2 3.23Å; H588-T591 WeakPolarHBondContact O-CG2 3.44Å; H588-T591 PolarHBondContact O-N 2.98Å; H588-T591 PolarHBondContact O-OG1 2.84Å; N589-T591 PolarHBondContact O-N 2.89Å; T591-T593 PolarHBondContact O-N 2.83Å; T591-K599 WeakPolarHBondContact O-CE 3.1Å; T591-K599 PolarHBondContact O-NZ 2.78Å; T591-P649 WeakPolarHBondContact CA-O 3.11Å; T591-P649 HydrophobicContact CG2-CB 3.86Å; T591-T651 HydrophobicContact CG2-CG2 3.78Å; T591-W783 HydrophobicContact CG2-CB 4.39Å; T591-W783 PolarHBondContact N-O 3.37Å
592	Y	98.5	Very high	97.6	Very high	7 Å²	7	13.3 Å²	13.3	3%	0.027	7%	0.065	C	C	.	.	G	3₁₀ helix	trans	-68.8	-21.1	175.6	-47.6	-31.3	0	0	0	112.1	N589 G590 E893 C895	N589-Y592 HydrophobicContact CB-CE2 4.13Å; N589-Y592 WeakPolarHBondContact O-CD2 3.19Å; N589-Y592 PolarHBondContact OD1-OH 3.08Å; G590-Y592 PolarHBondContact O-N 2.89Å; G590-Y592 VanDerWaalsContact O-N 3.14Å; Y592-E893 HydrophobicContact CD2-CG 3.99Å; Y592-E893 HydrophobicContact CE2-CG 4.43Å; Y592-C895 HydrophobicContact CD1-CB 3.92Å; Y592-C895 HydrophobicContact CD2-CB 4.27Å; Y592-C895 HydrophobicContact CE1-CB 3.83Å; Y592-C895 HydrophobicContact CE2-CB 4.17Å; Y592-C895 HydrophobicContact CG-CB 4.16Å
593	T	98.7	Very high	97.7	Very high	5 Å²	5	11.9 Å²	11.9	3%	0.031	6%	0.058	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.3	-40.4	-171.7	-51.3	0	0	0	0	113.4	G590 T591 M854 S929 R932	G590-T593 PolarHBondContact O-N 3.19Å; T591-T593 PolarHBondContact O-N 2.83Å; T593-M854 HydrophobicContact CG2-CE 4.21Å; T593-S929 VanDerWaalsContact OG1-CB 3.32Å; T593-S929 WeakPolarHBondContact OG1-CB 3.47Å; T593-R932 HydrophobicContact CG2-CB 4.43Å; T593-R932 HydrophobicContact CG2-CG 3.85Å
594	T	98.6	Very high	97.7	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.074	C	C	.	.	S	Bend	trans	-53.7	141.5	-179.6	-72.5	0	0	0	0	112.4	G590 K599 G650 A782 R932	G590-T594 PolarHBondContact O-N 2.8Å; G590-T594 VanDerWaalsContact O-N 3.09Å; G590-T594 PolarHBondContact O-OG1 3.1Å; T594-K599 WeakPolarHBondContact O-CD 3.31Å; T594-K599 WeakPolarHBondContact O-CE 3.47Å; T594-K599 PolarHBondContact O-NZ 3.06Å; T594-G650 WeakPolarHBondContact CG2-O 3.4Å; T594-A782 HydrophobicContact CG2-CB 4.18Å; T594-A782 PolarHBondContact OG1-O 2.97Å; T594-R932 WeakPolarHBondContact OG1-CD 3.49Å; T594-R932 PolarHBondContact OG1-NE 2.76Å; T594-R932 VanDerWaalsContact OG1-NE 3.09Å
595	H	98.3	Very high	97.8	Very high	14 Å²	14	13.7 Å²	13.7	7%	0.065	7%	0.071	C	C	.	.	S	Bend	trans	58.5	54.3	-177.5	-82.6	-80.5	0	0	0	113.2	M597 V598 K599 G650 Y657 D938 D942	H595-M597 VanDerWaalsContact C-N 3.25Å; H595-M597 PolarHBondContact O-N 3.3Å; H595-V598 HydrophobicContact CB-CB 4.18Å; H595-V598 HydrophobicContact CB-CG2 3.96Å; H595-V598 WeakPolarHBondContact O-CB 3.44Å; H595-V598 PolarHBondContact O-N 3.01Å; H595-K599 PolarHBondContact O-N 3.43Å; H595-G650 PolarHBondContact CD2-O 3.41Å; H595-Y657 AromaticContact CD2-CD2 3.95Å; H595-Y657 AromaticContact CD2-CE2 3.41Å; H595-Y657 VanDerWaalsContact CD2-CE2 3.41Å; H595-Y657 WeakPolarHBondContact CD2-CE2 3.48Å; H595-Y657 AromaticContact CD2-CZ 3.7Å; H595-Y657 AromaticContact CE1-CD2 3.05Å; H595-Y657 WeakPolarHBondContact CE1-CD2 3.27Å; H595-Y657 AromaticContact CE1-CE2 3.38Å; H595-Y657 WeakPolarHBondContact CE1-CE2 3.39Å; H595-Y657 AromaticContact CE1-CG 3.55Å; H595-Y657 AromaticContact CG-CE2 3.88Å; H595-Y657 AromaticContact CG-CZ 3.91Å; H595-Y657 AromaticContact ND1-CD1 3.96Å; H595-Y657 AromaticContact ND1-CD2 3.62Å; H595-Y657 AromaticContact ND1-CE2 3.84Å; H595-Y657 AromaticContact ND1-CG 3.69Å; H595-Y657 AromaticContact NE2-CD2 3.29Å; H595-Y657 VanDerWaalsContact NE2-CD2 3.29Å; H595-Y657 WeakPolarHBondContact NE2-CD2 3.48Å; H595-Y657 AromaticContact NE2-CE2 3.1Å; H595-Y657 WeakPolarHBondContact NE2-CE2 3.3Å; H595-Y657 AromaticContact NE2-CZ 3.89Å; H595-D938 IonicContact CE1-OD2 3.31Å; H595-D938 PolarHBondContact CE1-OD2 3.07Å; H595-D938 IonicContact NE2-OD2 2.68Å; H595-D942 WeakPolarHBondContact CA-OD1 3.4Å; H595-D942 PolarHBondContact N-OD1 3.23Å; H595-D942 PolarHBondContact N-OD2 3.27Å
596	A	98.4	Very high	97.9	Very high	3 Å²	3	14.1 Å²	14.1	3%	0.025	7%	0.073	C	C	.	.	H	α-helix	trans	-57.2	-34.4	-176.3	0	0	0	0	0	113.7	V598 K599 K600 L931 D942	A596-V598 VanDerWaalsContact C-N 3.34Å; A596-V598 PolarHBondContact O-N 3Å; A596-K599 PolarHBondContact O-N 2.75Å; A596-K600 WeakPolarHBondContact O-CB 3.16Å; A596-K600 PolarHBondContact O-N 2.91Å; A596-L931 HydrophobicContact CB-CD2 3.71Å; A596-D942 PolarHBondContact N-OD1 3.19Å
597	M	98	Very high	98.1	Very high	92 Å²	92	14 Å²	14	45%	0.453	7%	0.073	S	C	.	.	H	α-helix	trans	-64.6	-35.5	176.1	-78.9	-111.6	-69.9	0	0	112.8	H595 S601 M661	H595-M597 VanDerWaalsContact C-N 3.25Å; H595-M597 PolarHBondContact O-N 3.3Å; M597-S601 WeakPolarHBondContact O-CB 3.42Å; M597-S601 PolarHBondContact O-N 3.36Å; M597-S601 PolarHBondContact O-OG 2.86Å; M597-M661 HydrophobicContact CE-CE 4.26Å
598	V	98.6	Very high	98.2	Very high	2 Å²	2	13.7 Å²	13.7	1%	0.012	7%	0.071	C	C	.	.	H	α-helix	trans	-66.5	-48.4	177.6	173.4	0	0	0	0	109.5	H595 A596 K600 S601 N602 L648 Y657 V660 M661 Y664	H595-V598 HydrophobicContact CB-CB 4.18Å; H595-V598 HydrophobicContact CB-CG2 3.96Å; H595-V598 WeakPolarHBondContact O-CB 3.44Å; H595-V598 PolarHBondContact O-N 3.01Å; A596-V598 VanDerWaalsContact C-N 3.34Å; A596-V598 PolarHBondContact O-N 3Å; V598-K600 PolarHBondContact O-N 3.01Å; V598-S601 PolarHBondContact O-N 3.25Å; V598-N602 PolarHBondContact O-N 3Å; V598-L648 HydrophobicContact CG1-CD1 4.41Å; V598-Y657 HydrophobicContact CG2-CD1 3.6Å; V598-Y657 HydrophobicContact CG2-CE1 3.99Å; V598-Y657 HydrophobicContact CG2-CG 4.49Å; V598-V660 HydrophobicContact CG1-CG1 3.98Å; V598-V660 HydrophobicContact CG2-CG1 4.28Å; V598-M661 HydrophobicContact CG2-SD 4.34Å; V598-Y664 HydrophobicContact CG1-CE2 4.19Å
599	K	98.8	Very high	98.3	Very high	1 Å²	1	13.5 Å²	13.5	0%	0.004	7%	0.07	C	C	.	.	H	α-helix	trans	-61.2	-42.2	177	-72.7	137.9	167.6	79.5	0	112.5	I409 T591 T594 H595 A596 S601 N602 R603 L648 P649 Y917	I409-K599 HydrophobicContact CG2-CG 4.39Å; T591-K599 WeakPolarHBondContact O-CE 3.1Å; T591-K599 PolarHBondContact O-NZ 2.78Å; T594-K599 WeakPolarHBondContact O-CD 3.31Å; T594-K599 WeakPolarHBondContact O-CE 3.47Å; T594-K599 PolarHBondContact O-NZ 3.06Å; H595-K599 PolarHBondContact O-N 3.43Å; A596-K599 PolarHBondContact O-N 2.75Å; K599-S601 VanDerWaalsContact C-N 3.35Å; K599-N602 PolarHBondContact O-N 2.84Å; K599-R603 PolarHBondContact O-N 3.21Å; K599-L648 HydrophobicContact CG-CD1 4.28Å; K599-L648 PolarHBondContact NZ-O 3.42Å; K599-P649 PolarHBondContact NZ-O 3.29Å; K599-Y917 HydrophobicContact CB-CD2 4.16Å; K599-Y917 HydrophobicContact CB-CE2 3.97Å; K599-Y917 HydrophobicContact CG-CD2 4.29Å; K599-Y917 HydrophobicContact CG-CE2 4.38Å
600	K	98.5	Very high	98.4	Very high	56 Å²	56	14.5 Å²	14.5	24%	0.243	7%	0.074	C	C	.	.	H	α-helix	trans	-60.5	-44.4	173.2	-178.4	164.3	177	146.9	0	112.2	A596 V598 R603 T604 D914 C915 S947	A596-K600 WeakPolarHBondContact O-CB 3.16Å; A596-K600 PolarHBondContact O-N 2.91Å; V598-K600 PolarHBondContact O-N 3.01Å; K600-R603 PolarHBondContact O-N 3.15Å; K600-T604 WeakPolarHBondContact O-CB 3.45Å; K600-T604 PolarHBondContact O-N 3.03Å; K600-T604 PolarHBondContact O-OG1 3.38Å; K600-D914 IonicContact NZ-OD2 2.63Å; K600-D914 PolarHBondContact NZ-OD2 3.27Å; K600-C915 VanDerWaalsContact CA-CB 3.49Å; K600-C915 HydrophobicContact CB-CB 3.5Å; K600-C915 VanDerWaalsContact CB-CB 3.5Å; K600-C915 HydrophobicContact CD-CB 4.29Å; K600-C915 HydrophobicContact CG-CB 3.82Å; K600-S947 WeakPolarHBondContact CD-O 3.5Å; K600-S947 PolarHBondContact NZ-O 2.88Å
601	S	98.7	Very high	98.3	Very high	22 Å²	22	14.6 Å²	14.6	15%	0.154	7%	0.074	C	C	.	.	H	α-helix	trans	-66	-41.6	179.4	-57.7	0	0	0	0	111.2	M597 V598 K599 T604 C605 Y664	M597-S601 WeakPolarHBondContact O-CB 3.42Å; M597-S601 PolarHBondContact O-N 3.36Å; M597-S601 PolarHBondContact O-OG 2.86Å; V598-S601 PolarHBondContact O-N 3.25Å; K599-S601 VanDerWaalsContact C-N 3.35Å; S601-T604 PolarHBondContact O-N 3.31Å; S601-C605 WeakPolarHBondContact O-CB 3.23Å; S601-C605 PolarHBondContact O-N 2.87Å; S601-C605 PolarHBondContact O-SG 3.4Å; S601-C605 VanDerWaalsContact O-SG 3.36Å; S601-Y664 VanDerWaalsContact CB-CD2 3.48Å
602	N	98.9	Very high	98.3	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-54.6	-57.5	172.4	-175.6	72.6	0	0	0	111.2	V598 K599 T604 C605 E606 Q643 L648 Y664	V598-N602 PolarHBondContact O-N 3Å; K599-N602 PolarHBondContact O-N 2.84Å; N602-T604 VanDerWaalsContact C-N 3.28Å; N602-T604 PolarHBondContact O-N 3.39Å; N602-C605 PolarHBondContact O-N 2.95Å; N602-C605 VanDerWaalsContact O-N 3.12Å; N602-E606 PolarHBondContact ND2-OE1 2.9Å; N602-E606 PolarHBondContact ND2-OE2 2.93Å; N602-E606 WeakPolarHBondContact O-CG 3.38Å; N602-E606 PolarHBondContact O-N 2.93Å; N602-Q643 WeakPolarHBondContact OD1-CG 3.19Å; N602-Q643 PolarHBondContact OD1-NE2 3.06Å; N602-L648 HydrophobicContact CB-CD1 3.79Å; N602-Y664 HydrophobicContact CB-CE1 4.41Å; N602-Y664 WeakPolarHBondContact CB-OH 3.21Å; N602-Y664 PolarHBondContact OD1-OH 3.29Å
603	R	98.6	Very high	98.2	Very high	2 Å²	2	14.8 Å²	14.8	1%	0.008	8%	0.075	C	C	.	.	H	α-helix	trans	-62.2	-38.2	-176.7	-162	178.5	-59.9	176.4	-3.7	112.1	K599 K600 E606 F607 Q897 N913 D914 Y917 N978	K599-R603 PolarHBondContact O-N 3.21Å; K600-R603 PolarHBondContact O-N 3.15Å; R603-E606 PolarHBondContact O-N 2.95Å; R603-F607 HydrophobicContact CG-CD2 4.04Å; R603-F607 HydrophobicContact CG-CE2 3.94Å; R603-F607 WeakPolarHBondContact O-CD2 3.31Å; R603-F607 PolarHBondContact O-N 2.92Å; R603-Q897 PolarHBondContact NH2-O 3.23Å; R603-N913 PolarHBondContact NH1-O 3.46Å; R603-N913 VanDerWaalsContact NH1-O 3.15Å; R603-N913 PolarHBondContact NH1-OD1 2.95Å; R603-N913 PolarHBondContact NH2-OD1 2.85Å; R603-D914 VanDerWaalsContact CD-O 3.28Å; R603-D914 WeakPolarHBondContact CD-O 3.38Å; R603-D914 PolarHBondContact NH1-O 2.81Å; R603-Y917 PolarHBondContact NE-OH 3.43Å; R603-Y917 PolarHBondContact NH2-OH 3.1Å; R603-N978 WeakPolarHBondContact CD-OD1 3.5Å; R603-N978 PolarHBondContact NH1-OD1 3.34Å
604	T	98.3	Very high	98.1	Very high	56 Å²	56	14.8 Å²	14.8	34%	0.344	8%	0.075	S	C	.	.	H	α-helix	trans	-61	-46	175.5	-59.5	0	0	0	0	111.4	K600 S601 N602 F607 L608	K600-T604 WeakPolarHBondContact O-CB 3.45Å; K600-T604 PolarHBondContact O-N 3.03Å; K600-T604 PolarHBondContact O-OG1 3.38Å; S601-T604 PolarHBondContact O-N 3.31Å; N602-T604 VanDerWaalsContact C-N 3.28Å; N602-T604 PolarHBondContact O-N 3.39Å; T604-F607 PolarHBondContact O-N 3.06Å; T604-L608 HydrophobicContact CG2-CD1 3.81Å; T604-L608 HydrophobicContact CG2-CG 4.37Å; T604-L608 WeakPolarHBondContact O-CB 3.4Å; T604-L608 VanDerWaalsContact O-CG 3.3Å; T604-L608 WeakPolarHBondContact O-CG 3.46Å; T604-L608 PolarHBondContact O-N 2.84Å
605	C	98.7	Very high	97.8	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-66.2	-39.2	178.2	-72.9	0	0	0	0	112.6	S601 N602 F607 L608 L609 V639 Y664 V667	S601-C605 WeakPolarHBondContact O-CB 3.23Å; S601-C605 PolarHBondContact O-N 2.87Å; S601-C605 PolarHBondContact O-SG 3.4Å; S601-C605 VanDerWaalsContact O-SG 3.36Å; N602-C605 PolarHBondContact O-N 2.95Å; N602-C605 VanDerWaalsContact O-N 3.12Å; C605-F607 PolarHBondContact O-N 3.14Å; C605-L608 PolarHBondContact O-N 2.71Å; C605-L609 WeakPolarHBondContact O-CB 3.31Å; C605-L609 WeakPolarHBondContact O-CG 3.36Å; C605-L609 PolarHBondContact O-N 3.42Å; C605-V639 HydrophobicContact CB-CG2 3.67Å; C605-Y664 HydrophobicContact CB-CD1 4.23Å; C605-Y664 HydrophobicContact CB-CE1 4.45Å; C605-Y664 VanDerWaalsContact SG-CD1 3.56Å; C605-V667 HydrophobicContact CB-CG1 4.13Å
606	E	98.7	Very high	97.6	Very high	9 Å²	9	14.2 Å²	14.2	4%	0.042	7%	0.073	C	C	.	.	H	α-helix	trans	-56.3	-49.5	175.5	-70.1	173.6	152.7	0	0	111.4	S411 S414 N602 R603 R610 Q643	S411-E606 PolarHBondContact N-OE1 2.91Å; S411-E606 PolarHBondContact OG-OE1 3.14Å; S414-E606 WeakPolarHBondContact CB-OE1 3.44Å; S414-E606 WeakPolarHBondContact OG-CG 3.46Å; S414-E606 PolarHBondContact OG-OE1 3.01Å; N602-E606 PolarHBondContact ND2-OE1 2.9Å; N602-E606 PolarHBondContact ND2-OE2 2.93Å; N602-E606 WeakPolarHBondContact O-CG 3.38Å; N602-E606 PolarHBondContact O-N 2.93Å; R603-E606 PolarHBondContact O-N 2.95Å; E606-R610 PolarHBondContact O-N 2.77Å; E606-R610 VanDerWaalsContact O-N 3.13Å; E606-Q643 PolarHBondContact OE1-NE2 3.48Å
607	F	98	Very high	97.4	Very high	9 Å²	9	14.1 Å²	14.1	4%	0.039	7%	0.072	C	C	.	.	H	α-helix	trans	-71.4	-36.1	178.1	-79.6	-74.6	0	0	0	113.3	R603 T604 C605 R610 D611 K898 Y975 N978	R603-F607 HydrophobicContact CG-CD2 4.04Å; R603-F607 HydrophobicContact CG-CE2 3.94Å; R603-F607 WeakPolarHBondContact O-CD2 3.31Å; R603-F607 PolarHBondContact O-N 2.92Å; T604-F607 PolarHBondContact O-N 3.06Å; C605-F607 PolarHBondContact O-N 3.14Å; F607-R610 PolarHBondContact O-N 3.17Å; F607-D611 VanDerWaalsContact O-CG 3.23Å; F607-D611 PolarHBondContact O-N 2.93Å; F607-K898 HydrophobicContact CZ-CD 4.2Å; F607-Y975 AromaticContact CE1-CD1 3.95Å; F607-Y975 HydrophobicContact CE1-CD1 3.95Å; F607-Y975 HydrophobicContact CE1-CE1 4.23Å; F607-Y975 HydrophobicContact CZ-CD1 4.28Å; F607-Y975 HydrophobicContact CZ-CE1 4.46Å; F607-N978 HydrophobicContact CD2-CB 3.97Å; F607-N978 HydrophobicContact CE1-CB 4.34Å; F607-N978 HydrophobicContact CE2-CB 3.41Å; F607-N978 VanDerWaalsContact CE2-CB 3.41Å; F607-N978 HydrophobicContact CZ-CB 3.61Å
608	L	97.6	Very high	97.1	Very high	4 Å²	4	9.8 Å²	9.8	2%	0.021	5%	0.051	C	C	.	.	H	α-helix	trans	-63.5	-42.9	175.6	-80.6	172	0	0	0	112	T604 C605 D611 C612 V668 C671 L675	T604-L608 HydrophobicContact CG2-CD1 3.81Å; T604-L608 HydrophobicContact CG2-CG 4.37Å; T604-L608 WeakPolarHBondContact O-CB 3.4Å; T604-L608 VanDerWaalsContact O-CG 3.3Å; T604-L608 WeakPolarHBondContact O-CG 3.46Å; T604-L608 PolarHBondContact O-N 2.84Å; C605-L608 PolarHBondContact O-N 2.71Å; L608-D611 PolarHBondContact O-N 3.24Å; L608-C612 WeakPolarHBondContact O-CB 3.37Å; L608-C612 PolarHBondContact O-N 2.69Å; L608-C612 PolarHBondContact O-SG 3.09Å; L608-V668 HydrophobicContact CD1-CB 4.34Å; L608-V668 HydrophobicContact CD1-CG1 4.19Å; L608-V668 HydrophobicContact CD1-CG2 3.94Å; L608-C671 HydrophobicContact CB-CB 4.05Å; L608-C671 HydrophobicContact CD1-CB 4.49Å; L608-L675 HydrophobicContact CD2-CD1 4.16Å
609	L	98.5	Very high	96.7	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-65.7	-41.2	177.7	-74.2	166.9	0	0	0	111.3	C605 D611 C612 E613 F632 E635 W636 V639 V667	C605-L609 WeakPolarHBondContact O-CB 3.31Å; C605-L609 WeakPolarHBondContact O-CG 3.36Å; C605-L609 PolarHBondContact O-N 3.42Å; L609-D611 VanDerWaalsContact C-N 3.34Å; L609-D611 PolarHBondContact O-N 2.84Å; L609-C612 WeakPolarHBondContact O-CB 3.4Å; L609-C612 PolarHBondContact O-N 2.63Å; L609-E613 WeakPolarHBondContact O-CG 3.39Å; L609-E613 PolarHBondContact O-N 3.25Å; L609-F632 HydrophobicContact CD2-CB 4.09Å; L609-F632 HydrophobicContact CD2-CD1 4.04Å; L609-F632 HydrophobicContact CD2-CG 4.39Å; L609-E635 HydrophobicContact CD2-CB 3.69Å; L609-W636 HydrophobicContact CB-CD2 4.4Å; L609-W636 HydrophobicContact CB-CH2 4.27Å; L609-W636 HydrophobicContact CB-CZ2 3.61Å; L609-W636 HydrophobicContact CD1-CD2 3.63Å; L609-W636 HydrophobicContact CD1-CE3 3.86Å; L609-W636 HydrophobicContact CD1-CG 4.01Å; L609-W636 HydrophobicContact CD1-CH2 4.4Å; L609-W636 HydrophobicContact CD1-CZ2 4.21Å; L609-W636 HydrophobicContact CD1-CZ3 4.24Å; L609-V639 HydrophobicContact CD1-CB 4.45Å; L609-V639 HydrophobicContact CD1-CG2 3.73Å; L609-V667 HydrophobicContact CD1-CG1 4.31Å; L609-V667 HydrophobicContact CD2-CG1 4.47Å; L609-V667 HydrophobicContact CG-CG1 4.37Å
610	R	97.5	Very high	96.3	Very high	23 Å²	23	10.4 Å²	10.4	9%	0.087	5%	0.053	C	C	.	.	H	α-helix	trans	-56.5	-46.8	171.1	179.3	-178.2	178.5	-90.4	-8.2	112	E606 F607 C612 E613 F614 T687 V1010 E1011	E606-R610 PolarHBondContact O-N 2.77Å; E606-R610 VanDerWaalsContact O-N 3.13Å; F607-R610 PolarHBondContact O-N 3.17Å; R610-C612 PolarHBondContact O-N 3.32Å; R610-E613 PolarHBondContact O-N 3.38Å; R610-F614 PolarHBondContact O-N 3.42Å; R610-F614 VanDerWaalsContact O-N 3.07Å; R610-T687 PolarHBondContact NH1-O 3.49Å; R610-T687 PolarHBondContact NH1-OG1 3.05Å; R610-T687 PolarHBondContact NH2-O 3.49Å; R610-V1010 PolarHBondContact NH2-O 2.83Å; R610-E1011 WeakPolarHBondContact CD-O 3.49Å; R610-E1011 PolarHBondContact NE-O 3.33Å
611	D	97.1	Very high	95.9	Very high	1 Å²	1	7.8 Å²	7.8	1%	0.005	4%	0.042	C	C	.	.	H	α-helix	trans	-63.6	-41.2	178.1	-69.1	-20.5	0	0	0	111.7	F607 L608 L609 L615 L675 M685 T687 R982	F607-D611 VanDerWaalsContact O-CG 3.23Å; F607-D611 PolarHBondContact O-N 2.93Å; L608-D611 PolarHBondContact O-N 3.24Å; L609-D611 VanDerWaalsContact C-N 3.34Å; L609-D611 PolarHBondContact O-N 2.84Å; D611-L615 PolarHBondContact O-N 2.67Å; D611-L615 VanDerWaalsContact O-N 3.1Å; D611-L675 HydrophobicContact CB-CD1 4.18Å; D611-L675 HydrophobicContact CB-CD2 4.45Å; D611-M685 HydrophobicContact CB-CE 4.07Å; D611-T687 HydrophobicContact CB-CG2 4.3Å; D611-T687 WeakPolarHBondContact OD1-CB 3.47Å; D611-T687 WeakPolarHBondContact OD1-CG2 3.49Å; D611-T687 PolarHBondContact OD1-OG1 3.17Å; D611-R982 IonicContact OD2-CZ 2.98Å; D611-R982 IonicContact OD2-NE 3.56Å; D611-R982 PolarHBondContact OD2-NE 3.12Å; D611-R982 IonicContact OD2-NH2 2.76Å; D611-R982 PolarHBondContact OD2-NH2 3.34Å
612	C	96.8	Very high	95.4	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-63	-45.4	176.2	-75.4	0	0	0	0	112.5	L608 L609 R610 L615 A616 F632 C671 F674	L608-C612 WeakPolarHBondContact O-CB 3.37Å; L608-C612 PolarHBondContact O-N 2.69Å; L608-C612 PolarHBondContact O-SG 3.09Å; L609-C612 WeakPolarHBondContact O-CB 3.4Å; L609-C612 PolarHBondContact O-N 2.63Å; R610-C612 PolarHBondContact O-N 3.32Å; C612-L615 PolarHBondContact O-N 2.99Å; C612-A616 WeakPolarHBondContact O-CB 3.41Å; C612-A616 PolarHBondContact O-N 3.13Å; C612-F632 HydrophobicContact CB-CD1 4.17Å; C612-F632 HydrophobicContact CB-CD2 4.45Å; C612-F632 HydrophobicContact CB-CE1 3.64Å; C612-F632 HydrophobicContact CB-CE2 3.98Å; C612-F632 HydrophobicContact CB-CZ 3.54Å; C612-C671 VanDerWaalsContact SG-CA 3.58Å; C612-C671 VanDerWaalsContact SG-CB 3.52Å; C612-C671 VanDerWaalsContact SG-SG 3.63Å; C612-F674 HydrophobicContact CB-CD1 4.12Å; C612-F674 HydrophobicContact CB-CE1 4.44Å; C612-F674 WeakPolarHBondContact O-CE1 3.49Å
613	E	96.9	Very high	94.7	Very high	11 Å²	11	6.9 Å²	6.9	5%	0.051	4%	0.036	C	C	.	.	H	α-helix	trans	-65	-39	179.3	-74.2	-180	162.5	0	0	112.2	R417 L609 R610 A616 F617 F632 W636 V1013 K1014	R417-E613 IonicContact CZ-OE1 3.58Å; R417-E613 IonicContact CZ-OE2 3.54Å; R417-E613 IonicContact NH1-OE1 3.78Å; R417-E613 PolarHBondContact NH1-OE1 2.97Å; R417-E613 IonicContact NH1-OE2 3.35Å; R417-E613 IonicContact NH2-OE1 2.75Å; R417-E613 PolarHBondContact NH2-OE1 3.11Å; R417-E613 IonicContact NH2-OE2 3.61Å; R417-E613 PolarHBondContact NH2-OE2 2.62Å; L609-E613 WeakPolarHBondContact O-CG 3.39Å; L609-E613 PolarHBondContact O-N 3.25Å; R610-E613 PolarHBondContact O-N 3.38Å; E613-A616 PolarHBondContact O-N 3.39Å; E613-F617 PolarHBondContact O-N 3.39Å; E613-F632 HydrophobicContact CG-CD2 4.16Å; E613-W636 PolarHBondContact OE1-NE1 3.12Å; E613-V1013 CarbonylContact C-O 3.59Å; E613-K1014 HydrophobicContact CB-CB 4Å; E613-K1014 HydrophobicContact CG-CB 4.4Å
614	F	95.9	Very high	93.8	Very high	5 Å²	5	8 Å²	8	2%	0.022	5%	0.048	C	C	.	.	H	α-helix	trans	-58.9	-51.3	172.4	176	-89.2	0	0	0	111.1	R610 A616 F617 V618 M685 T687 F706 L1000 V1013	R610-F614 PolarHBondContact O-N 3.42Å; R610-F614 VanDerWaalsContact O-N 3.07Å; F614-A616 VanDerWaalsContact C-N 3.33Å; F614-A616 PolarHBondContact O-N 2.93Å; F614-F617 PolarHBondContact O-N 2.89Å; F614-V618 HydrophobicContact CD1-CG2 4.28Å; F614-V618 HydrophobicContact CE1-CG2 3.85Å; F614-V618 HydrophobicContact CZ-CG2 4.06Å; F614-V618 WeakPolarHBondContact O-CG2 3.39Å; F614-V618 PolarHBondContact O-N 3.4Å; F614-M685 HydrophobicContact CD1-CG 4.38Å; F614-M685 HydrophobicContact CD1-SD 4Å; F614-M685 HydrophobicContact CE1-CG 4.24Å; F614-M685 HydrophobicContact CE1-SD 4.33Å; F614-T687 HydrophobicContact CB-CG2 3.99Å; F614-T687 HydrophobicContact CD1-CG2 3.68Å; F614-T687 HydrophobicContact CE1-CG2 4.33Å; F614-T687 HydrophobicContact CG-CG2 3.83Å; F614-F706 HydrophobicContact CD2-CD1 4.18Å; F614-F706 HydrophobicContact CE2-CB 3.93Å; F614-F706 AromaticContact CE2-CD1 3.64Å; F614-F706 HydrophobicContact CE2-CD1 3.64Å; F614-F706 HydrophobicContact CE2-CG 4.22Å; F614-F706 HydrophobicContact CZ-CB 4.17Å; F614-F706 HydrophobicContact CZ-CD1 4.49Å; F614-L1000 HydrophobicContact CD2-CD2 4.27Å; F614-L1000 HydrophobicContact CE2-CB 4.45Å; F614-L1000 HydrophobicContact CE2-CD2 3.57Å; F614-L1000 HydrophobicContact CZ-CB 4.44Å; F614-L1000 HydrophobicContact CZ-CD2 4.14Å; F614-V1013 HydrophobicContact CD2-CB 4.04Å; F614-V1013 HydrophobicContact CD2-CG1 4.24Å; F614-V1013 HydrophobicContact CD2-CG2 4.33Å; F614-V1013 PolarHBondContact N-O 3.19Å
615	L	93.9	Very high	92.8	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-61.9	-44	178.8	-179.5	60.5	0	0	0	110.8	D611 C612 F617 V618 L619 F674 L675 M685 I708 F1102	D611-L615 PolarHBondContact O-N 2.67Å; D611-L615 VanDerWaalsContact O-N 3.1Å; C612-L615 PolarHBondContact O-N 2.99Å; L615-F617 VanDerWaalsContact C-N 3.3Å; L615-F617 PolarHBondContact O-N 3.25Å; L615-V618 WeakPolarHBondContact O-CA 3.48Å; L615-V618 WeakPolarHBondContact O-CB 3.47Å; L615-V618 PolarHBondContact O-N 3.42Å; L615-L619 HydrophobicContact CD1-CD2 4.27Å; L615-L619 HydrophobicContact CD1-CG 4.41Å; L615-L619 HydrophobicContact CG-CD1 4.5Å; L615-L619 HydrophobicContact CG-CG 4.32Å; L615-L619 VanDerWaalsContact O-CG 3.3Å; L615-L619 WeakPolarHBondContact O-CG 3.26Å; L615-L619 PolarHBondContact O-N 3.33Å; L615-F674 HydrophobicContact CB-CE1 4.16Å; L615-F674 HydrophobicContact CD2-CD1 4.38Å; L615-F674 HydrophobicContact CD2-CE1 4.04Å; L615-F674 HydrophobicContact CG-CE1 4.16Å; L615-L675 HydrophobicContact CB-CD2 4.14Å; L615-L675 HydrophobicContact CD2-CD2 3.77Å; L615-M685 HydrophobicContact CB-SD 4.07Å; L615-M685 HydrophobicContact CD1-SD 4.32Å; L615-I708 HydrophobicContact CD1-CD1 3.81Å; L615-F1102 HydrophobicContact CD2-CE1 4.23Å; L615-F1102 HydrophobicContact CD2-CZ 4.06Å
616	A	93.5	Very high	91.3	Very high	3 Å²	3	17.2 Å²	17.2	3%	0.025	8%	0.083	C	C	.	.	H	α-helix	trans	-56.1	-43.3	177.3	0	0	0	0	0	112.1	C612 E613 F614 L619 W620 C629 F632 F674	C612-A616 WeakPolarHBondContact O-CB 3.41Å; C612-A616 PolarHBondContact O-N 3.13Å; E613-A616 PolarHBondContact O-N 3.39Å; F614-A616 VanDerWaalsContact C-N 3.33Å; F614-A616 PolarHBondContact O-N 2.93Å; A616-L619 PolarHBondContact O-N 2.98Å; A616-W620 WeakPolarHBondContact O-CB 3.2Å; A616-W620 PolarHBondContact O-N 3.19Å; A616-C629 VanDerWaalsContact C-SG 3.59Å; A616-C629 PolarHBondContact O-SG 2.83Å; A616-F632 HydrophobicContact CB-CE2 3.94Å; A616-F674 HydrophobicContact CB-CE1 4.23Å; A616-F674 HydrophobicContact CB-CZ 3.94Å
617	F	94.1	Very high	89.8	Confident	0 Å²	0	19 Å²	19	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-62.1	-45.1	173.4	177.2	-108.7	0	0	0	112.2	E613 F614 L615 L619 W620 L621 L1000 V1013 I1015 L1022 F1043 V1085	E613-F617 PolarHBondContact O-N 3.39Å; F614-F617 PolarHBondContact O-N 2.89Å; L615-F617 VanDerWaalsContact C-N 3.3Å; L615-F617 PolarHBondContact O-N 3.25Å; F617-L619 VanDerWaalsContact C-N 3.35Å; F617-L619 PolarHBondContact O-N 3.34Å; F617-W620 AromaticContact CD2-CE3 3.96Å; F617-W620 HydrophobicContact CD2-CE3 3.96Å; F617-W620 HydrophobicContact CD2-CZ3 4.27Å; F617-W620 AromaticContact CE2-CE3 3.79Å; F617-W620 HydrophobicContact CE2-CE3 3.79Å; F617-W620 AromaticContact CE2-CZ3 3.7Å; F617-W620 HydrophobicContact CE2-CZ3 3.7Å; F617-W620 PolarHBondContact O-N 3.31Å; F617-L621 HydrophobicContact CE1-CD2 4.3Å; F617-L621 HydrophobicContact CZ-CD1 4.48Å; F617-L621 HydrophobicContact CZ-CD2 4.4Å; F617-L621 WeakPolarHBondContact O-CB 3.42Å; F617-L621 PolarHBondContact O-N 3.08Å; F617-L1000 HydrophobicContact CD1-CD1 4.17Å; F617-L1000 HydrophobicContact CD1-CD2 3.73Å; F617-L1000 HydrophobicContact CD1-CG 4.5Å; F617-L1000 HydrophobicContact CE1-CD1 3.77Å; F617-L1000 HydrophobicContact CE1-CD2 3.79Å; F617-L1000 HydrophobicContact CE1-CG 4.17Å; F617-V1013 HydrophobicContact CD1-CG1 3.72Å; F617-V1013 HydrophobicContact CE1-CG1 4.26Å; F617-V1013 HydrophobicContact CG-CG1 4.23Å; F617-I1015 HydrophobicContact CB-CG1 4.25Å; F617-I1015 HydrophobicContact CD2-CG1 3.99Å; F617-L1022 HydrophobicContact CD1-CD1 4.27Å; F617-L1022 HydrophobicContact CD2-CD1 3.97Å; F617-L1022 HydrophobicContact CE1-CD1 3.93Å; F617-L1022 HydrophobicContact CE1-CD2 4.38Å; F617-L1022 HydrophobicContact CE2-CB 3.74Å; F617-L1022 HydrophobicContact CE2-CD1 3.65Å; F617-L1022 HydrophobicContact CE2-CD2 4.42Å; F617-L1022 HydrophobicContact CE2-CG 4.11Å; F617-L1022 HydrophobicContact CG-CD1 4.28Å; F617-L1022 HydrophobicContact CZ-CB 4.01Å; F617-L1022 HydrophobicContact CZ-CD1 3.64Å; F617-L1022 HydrophobicContact CZ-CD2 3.85Å; F617-L1022 HydrophobicContact CZ-CG 4.03Å; F617-F1043 HydrophobicContact CE1-CE1 4.31Å; F617-V1085 HydrophobicContact CE2-CG2 4.34Å; F617-V1085 HydrophobicContact CZ-CG2 4.25Å
618	V	91.8	Very high	88.1	Confident	2 Å²	2	23.8 Å²	23.8	1%	0.012	13%	0.132	C	C	.	.	H	α-helix	trans	-58.4	-45.2	176.8	171.2	0	0	0	0	111.7	F614 L615 L621 C622 I708 L998 L1000 F1099	F614-V618 HydrophobicContact CD1-CG2 4.28Å; F614-V618 HydrophobicContact CE1-CG2 3.85Å; F614-V618 HydrophobicContact CZ-CG2 4.06Å; F614-V618 WeakPolarHBondContact O-CG2 3.39Å; F614-V618 PolarHBondContact O-N 3.4Å; L615-V618 WeakPolarHBondContact O-CA 3.48Å; L615-V618 WeakPolarHBondContact O-CB 3.47Å; L615-V618 PolarHBondContact O-N 3.42Å; V618-L621 PolarHBondContact O-N 3.48Å; V618-C622 WeakPolarHBondContact O-CB 3.44Å; V618-C622 PolarHBondContact O-N 2.96Å; V618-C622 PolarHBondContact O-SG 3.12Å; V618-I708 HydrophobicContact CG1-CD1 4.04Å; V618-L998 HydrophobicContact CG1-CD2 3.43Å; V618-L998 VanDerWaalsContact CG1-CD2 3.43Å; V618-L1000 HydrophobicContact CG2-CD1 4.35Å; V618-F1099 HydrophobicContact CG1-CE1 4.1Å; V618-F1099 HydrophobicContact CG1-CE2 4.25Å; V618-F1099 HydrophobicContact CG1-CZ 3.65Å
619	L	89.7	Confident	87	Confident	4 Å²	4	25.4 Å²	25.4	2%	0.021	14%	0.144	C	C	.	.	H	α-helix	trans	-59.8	-49.3	177	-62	-175.8	0	0	0	111.1	L615 A616 F617 L621 S623 F674 F1099 F1102 T1103	L615-L619 HydrophobicContact CD1-CD2 4.27Å; L615-L619 HydrophobicContact CD1-CG 4.41Å; L615-L619 HydrophobicContact CG-CD1 4.5Å; L615-L619 HydrophobicContact CG-CG 4.32Å; L615-L619 VanDerWaalsContact O-CG 3.3Å; L615-L619 WeakPolarHBondContact O-CG 3.26Å; L615-L619 PolarHBondContact O-N 3.33Å; A616-L619 PolarHBondContact O-N 2.98Å; F617-L619 VanDerWaalsContact C-N 3.35Å; F617-L619 PolarHBondContact O-N 3.34Å; L619-L621 PolarHBondContact O-N 3.34Å; L619-S623 WeakPolarHBondContact O-CB 3.37Å; L619-S623 PolarHBondContact O-N 2.84Å; L619-S623 PolarHBondContact O-OG 3.31Å; L619-F674 HydrophobicContact CD1-CE2 4.12Å; L619-F674 HydrophobicContact CD1-CZ 3.74Å; L619-F1099 HydrophobicContact CD2-CB 4.28Å; L619-F1099 HydrophobicContact CD2-CD1 3.08Å; L619-F1099 HydrophobicContact CD2-CE1 3.58Å; L619-F1099 HydrophobicContact CD2-CG 4.01Å; L619-F1099 HydrophobicContact CG-CD1 4.43Å; L619-F1102 HydrophobicContact CD1-CD1 3.86Å; L619-F1102 HydrophobicContact CD1-CE1 4.09Å; L619-F1102 HydrophobicContact CD2-CD1 3.94Å; L619-F1102 HydrophobicContact CD2-CG 4.35Å; L619-T1103 HydrophobicContact CB-CG2 4.45Å; L619-T1103 HydrophobicContact CD1-CG2 3.9Å
620	W	90.3	Very high	86.5	Confident	12 Å²	12	29.7 Å²	29.7	5%	0.045	16%	0.16	C	C	.	.	H	α-helix	trans	-60.6	-46.3	-179.5	176.3	82.7	0	0	0	111.6	A616 F617 S623 K625 C629 I1015 D1020 V1085	A616-W620 WeakPolarHBondContact O-CB 3.2Å; A616-W620 PolarHBondContact O-N 3.19Å; F617-W620 AromaticContact CD2-CE3 3.96Å; F617-W620 HydrophobicContact CD2-CE3 3.96Å; F617-W620 HydrophobicContact CD2-CZ3 4.27Å; F617-W620 AromaticContact CE2-CE3 3.79Å; F617-W620 HydrophobicContact CE2-CE3 3.79Å; F617-W620 AromaticContact CE2-CZ3 3.7Å; F617-W620 HydrophobicContact CE2-CZ3 3.7Å; F617-W620 PolarHBondContact O-N 3.31Å; W620-S623 PolarHBondContact O-OG 2.86Å; W620-K625 HydrophobicContact CD2-CG 4.2Å; W620-K625 HydrophobicContact CE3-CG 4.41Å; W620-K625 HydrophobicContact CH2-CD 3.65Å; W620-K625 HydrophobicContact CH2-CG 3.92Å; W620-K625 HydrophobicContact CZ2-CB 4.17Å; W620-K625 HydrophobicContact CZ2-CD 3.49Å; W620-K625 VanDerWaalsContact CZ2-CD 3.49Å; W620-K625 HydrophobicContact CZ2-CG 3.62Å; W620-K625 HydrophobicContact CZ3-CD 4.38Å; W620-K625 HydrophobicContact CZ3-CG 4.27Å; W620-K625 WeakPolarHBondContact O-CA 3.43Å; W620-K625 PolarHBondContact O-N 3.01Å; W620-C629 HydrophobicContact CB-CB 4.04Å; W620-C629 HydrophobicContact CG-CB 4.36Å; W620-I1015 HydrophobicContact CB-CD1 3.56Å; W620-I1015 HydrophobicContact CB-CG1 4.43Å; W620-I1015 HydrophobicContact CD2-CD1 4.25Å; W620-I1015 HydrophobicContact CD2-CG1 4.45Å; W620-I1015 HydrophobicContact CG-CD1 3.73Å; W620-I1015 HydrophobicContact CG-CG1 4.42Å; W620-D1020 WeakPolarHBondContact CH2-O 3.14Å; W620-D1020 WeakPolarHBondContact CZ2-O 3.49Å; W620-V1085 HydrophobicContact CH2-CG2 4.31Å; W620-V1085 HydrophobicContact CZ3-CG2 3.82Å
621	L	90.3	Very high	86.2	Confident	1 Å²	1	32.7 Å²	32.7	1%	0.005	18%	0.178	C	C	.	.	H	α-helix	trans	-62.4	-52.7	179.6	-176.8	70.4	0	0	0	111.4	F617 V618 L619 S623 G624 L1000 C1042 F1043 V1085 P1087	F617-L621 HydrophobicContact CE1-CD2 4.3Å; F617-L621 HydrophobicContact CZ-CD1 4.48Å; F617-L621 HydrophobicContact CZ-CD2 4.4Å; F617-L621 WeakPolarHBondContact O-CB 3.42Å; F617-L621 PolarHBondContact O-N 3.08Å; V618-L621 PolarHBondContact O-N 3.48Å; L619-L621 PolarHBondContact O-N 3.34Å; L621-S623 VanDerWaalsContact C-N 3.33Å; L621-S623 PolarHBondContact O-N 3.45Å; L621-G624 PolarHBondContact O-N 2.99Å; L621-G624 VanDerWaalsContact O-N 3.07Å; L621-L1000 HydrophobicContact CD2-CD1 3.81Å; L621-C1042 HydrophobicContact CD2-CB 4.3Å; L621-F1043 HydrophobicContact CD1-CB 3.87Å; L621-F1043 HydrophobicContact CD1-CG 4.36Å; L621-F1043 HydrophobicContact CD2-CB 4.09Å; L621-F1043 HydrophobicContact CD2-CD1 3.56Å; L621-F1043 HydrophobicContact CD2-CE1 4.4Å; L621-F1043 HydrophobicContact CD2-CG 4.18Å; L621-V1085 HydrophobicContact CD1-CG2 3.96Å; L621-P1087 HydrophobicContact CD1-CB 3.79Å; L621-P1087 HydrophobicContact CD1-CG 4.44Å; L621-P1087 HydrophobicContact CG-CB 4.02Å; L621-P1087 WeakPolarHBondContact O-CB 3.35Å
622	C	88.2	Confident	86.2	Confident	1 Å²	1	32.9 Å²	32.9	1%	0.007	18%	0.178	C	C	.	.	H	α-helix	trans	-72.8	-23.7	-173.1	-61	0	0	0	0	113.4	V618 G624 V1091 G1096 F1099	V618-C622 WeakPolarHBondContact O-CB 3.44Å; V618-C622 PolarHBondContact O-N 2.96Å; V618-C622 PolarHBondContact O-SG 3.12Å; C622-G624 PolarHBondContact O-N 3.33Å; C622-V1091 HydrophobicContact CB-CG1 4.45Å; C622-G1096 VanDerWaalsContact O-CA 3.27Å; C622-G1096 WeakPolarHBondContact O-CA 3.27Å; C622-F1099 HydrophobicContact CB-CD2 3.21Å; C622-F1099 HydrophobicContact CB-CE2 3.57Å; C622-F1099 HydrophobicContact CB-CG 4.09Å; C622-F1099 VanDerWaalsContact SG-CE2 3.53Å
623	S	84.1	Confident	86.2	Confident	2 Å²	2	33.1 Å²	33.1	1%	0.014	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-4.6	172.2	73.3	0	0	0	0	113.2	L619 W620 L621	L619-S623 WeakPolarHBondContact O-CB 3.37Å; L619-S623 PolarHBondContact O-N 2.84Å; L619-S623 PolarHBondContact O-OG 3.31Å; W620-S623 PolarHBondContact O-OG 2.86Å; L621-S623 VanDerWaalsContact C-N 3.33Å; L621-S623 PolarHBondContact O-N 3.45Å
624	G	80.8	Confident	86.2	Confident	25 Å²	25	35.9 Å²	35.9	26%	0.258	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.8	32.2	-174.8	0	0	0	0	0	112.9	L621 C622 K626	L621-G624 PolarHBondContact O-N 2.99Å; L621-G624 VanDerWaalsContact O-N 3.07Å; C622-G624 PolarHBondContact O-N 3.33Å; G624-K626 PolarHBondContact O-N 2.95Å; G624-K626 VanDerWaalsContact O-N 3.13Å
625	K	76	Confident	86.3	Confident	77 Å²	77	36.3 Å²	36.3	34%	0.335	21%	0.207	S	C	.	.	S	Bend	trans	59	16.8	-175.1	-48.7	-175.5	179.5	-170.6	0	115.2	W620 V1085	W620-K625 HydrophobicContact CD2-CG 4.2Å; W620-K625 HydrophobicContact CE3-CG 4.41Å; W620-K625 HydrophobicContact CH2-CD 3.65Å; W620-K625 HydrophobicContact CH2-CG 3.92Å; W620-K625 HydrophobicContact CZ2-CB 4.17Å; W620-K625 HydrophobicContact CZ2-CD 3.49Å; W620-K625 VanDerWaalsContact CZ2-CD 3.49Å; W620-K625 HydrophobicContact CZ2-CG 3.62Å; W620-K625 HydrophobicContact CZ3-CD 4.38Å; W620-K625 HydrophobicContact CZ3-CG 4.27Å; W620-K625 WeakPolarHBondContact O-CA 3.43Å; W620-K625 PolarHBondContact O-N 3.01Å; K625-V1085 WeakPolarHBondContact CE-O 3.42Å; K625-V1085 PolarHBondContact NZ-O 3.03Å
626	K	67.9	Low	86.6	Confident	172 Å²	172	36.4 Å²	36.4	75%	0.748	21%	0.208	S	C	*	.			trans	-84	-15.8	-174.4	-67.2	-174.2	179.8	-178.5	0	113.7	G624	G624-K626 PolarHBondContact O-N 2.95Å; G624-K626 VanDerWaalsContact O-N 3.13Å
627	Q	66.8	Low	86.8	Confident	48 Å²	48	39.8 Å²	39.8	22%	0.224	22%	0.222	C	C	.	.	S	Bend	trans	-106.1	138.1	179.3	-79.9	176.9	-36.2	0	0	111.2	C629 T1103	Q627-C629 PolarHBondContact O-N 2.81Å; Q627-T1103 PolarHBondContact NE2-OG1 2.71Å; Q627-T1103 PolarHBondContact OE1-OG1 2.99Å
628	A	62.3	Low	87.1	Confident	108 Å²	108	41.6 Å²	41.6	89%	0.893	23%	0.231	S	C	*	.	P	Polyproline II helix	trans	-60.5	118.5	165.4	0	0	0	0	0	108
629	C	75.5	Confident	87.4	Confident	39 Å²	39	41.5 Å²	41.5	26%	0.264	23%	0.231	S	C	.	.	P	Polyproline II helix	trans	-84.3	152.6	179.2	-160	0	0	0	0	110.8	A616 W620 Q627 N631 I1015	A616-C629 VanDerWaalsContact C-SG 3.59Å; A616-C629 PolarHBondContact O-SG 2.83Å; W620-C629 HydrophobicContact CB-CB 4.04Å; W620-C629 HydrophobicContact CG-CB 4.36Å; Q627-C629 PolarHBondContact O-N 2.81Å; C629-N631 PolarHBondContact O-N 2.85Å; C629-I1015 HydrophobicContact CB-CD1 3.34Å; C629-I1015 WeakPolarHBondContact SG-CD1 3.47Å
630	R	88	Confident	87.8	Confident	90 Å²	90	41.3 Å²	41.3	34%	0.34	23%	0.23	S	C	.	.	P	Polyproline II helix	trans	-67.2	119.1	176.9	-179	172.6	178.4	155.6	0.5	109.9	F632 E635 F674	R630-F632 HydrophobicContact CB-CE2 4.1Å; R630-F632 HydrophobicContact CB-CZ 4.3Å; R630-F632 VanDerWaalsContact CD-CZ 3.44Å; R630-F632 HydrophobicContact CG-CD2 4.36Å; R630-F632 HydrophobicContact CG-CE1 4.23Å; R630-F632 HydrophobicContact CG-CE2 3.86Å; R630-F632 HydrophobicContact CG-CZ 3.78Å; R630-F632 WeakPolarHBondContact O-CD2 3.36Å; R630-F632 WeakPolarHBondContact O-CE2 3.31Å; R630-E635 IonicContact CZ-OE1 3.77Å; R630-E635 IonicContact NE-OE1 2.72Å; R630-E635 IonicContact NH2-OE1 3.94Å; R630-E635 PolarHBondContact NH2-OE1 3.42Å; R630-F674 HydrophobicContact CB-CE2 4.01Å
631	N	90.7	Very high	88.2	Confident	86 Å²	86	41.5 Å²	41.5	46%	0.46	23%	0.231	S	C	.	.	P	Polyproline II helix	trans	-83.7	135.8	166.6	-179.6	-59.7	0	0	0	108.8	C629 G633 E1017	C629-N631 PolarHBondContact O-N 2.85Å; N631-G633 WeakPolarHBondContact OD1-CA 3.48Å; N631-G633 PolarHBondContact OD1-N 2.82Å; N631-E1017 PolarHBondContact ND2-OE2 3.21Å
632	F	96.6	Very high	88.6	Confident	5 Å²	5	41.5 Å²	41.5	2%	0.022	23%	0.231	C	C	.	.			trans	-103.6	13.5	-178	-71.4	-88.5	0	0	0	113.6	L609 C612 E613 A616 R630 A634 E635 W636 F674	L609-F632 HydrophobicContact CD2-CB 4.09Å; L609-F632 HydrophobicContact CD2-CD1 4.04Å; L609-F632 HydrophobicContact CD2-CG 4.39Å; C612-F632 HydrophobicContact CB-CD1 4.17Å; C612-F632 HydrophobicContact CB-CD2 4.45Å; C612-F632 HydrophobicContact CB-CE1 3.64Å; C612-F632 HydrophobicContact CB-CE2 3.98Å; C612-F632 HydrophobicContact CB-CZ 3.54Å; E613-F632 HydrophobicContact CG-CD2 4.16Å; A616-F632 HydrophobicContact CB-CE2 3.94Å; R630-F632 HydrophobicContact CB-CE2 4.1Å; R630-F632 HydrophobicContact CB-CZ 4.3Å; R630-F632 VanDerWaalsContact CD-CZ 3.44Å; R630-F632 HydrophobicContact CG-CD2 4.36Å; R630-F632 HydrophobicContact CG-CE1 4.23Å; R630-F632 HydrophobicContact CG-CE2 3.86Å; R630-F632 HydrophobicContact CG-CZ 3.78Å; R630-F632 WeakPolarHBondContact O-CD2 3.36Å; R630-F632 WeakPolarHBondContact O-CE2 3.31Å; F632-A634 PolarHBondContact O-N 2.89Å; F632-E635 PolarHBondContact O-N 3.49Å; F632-W636 PolarHBondContact O-N 3.26Å; F632-F674 HydrophobicContact CE1-CD1 4.34Å; F632-F674 HydrophobicContact CE1-CG 4.34Å; F632-F674 HydrophobicContact CE2-CD1 4.46Å; F632-F674 HydrophobicContact CE2-CE1 4.17Å; F632-F674 HydrophobicContact CE2-CZ 4.31Å; F632-F674 HydrophobicContact CZ-CB 4.43Å; F632-F674 AromaticContact CZ-CD1 3.56Å; F632-F674 HydrophobicContact CZ-CD1 3.56Å; F632-F674 HydrophobicContact CZ-CD2 4.11Å; F632-F674 AromaticContact CZ-CE1 3.7Å; F632-F674 HydrophobicContact CZ-CE1 3.7Å; F632-F674 HydrophobicContact CZ-CE2 4.23Å; F632-F674 AromaticContact CZ-CG 3.76Å; F632-F674 HydrophobicContact CZ-CG 3.76Å; F632-F674 HydrophobicContact CZ-CZ 4.02Å
633	G	96.8	Very high	89.1	Confident	5 Å²	5	41.4 Å²	41.4	5%	0.052	23%	0.231	C	C	.	.	H	α-helix	trans	-62.6	-28.6	-176.9	0	0	0	0	0	113.3	N631 K637	N631-G633 WeakPolarHBondContact OD1-CA 3.48Å; N631-G633 PolarHBondContact OD1-N 2.82Å; G633-K637 WeakPolarHBondContact O-CB 3.35Å; G633-K637 WeakPolarHBondContact O-CD 3.34Å; G633-K637 WeakPolarHBondContact O-CG 3.44Å; G633-K637 PolarHBondContact O-N 2.78Å
634	A	97.4	Very high	89.8	Confident	68 Å²	68	41.3 Å²	41.3	56%	0.562	23%	0.23	S	C	*	.	H	α-helix	trans	-68.2	-46	173.8	0	0	0	0	0	111.5	F632 K637 L638	F632-A634 PolarHBondContact O-N 2.89Å; A634-K637 PolarHBondContact O-N 2.66Å; A634-L638 PolarHBondContact O-N 2.91Å
635	E	98.6	Very high	90.7	Very high	14 Å²	14	40.1 Å²	40.1	7%	0.065	22%	0.218	C	C	.	.	H	α-helix	trans	-66.3	-42.1	175.8	-67.9	87.5	164.9	0	0	112.1	L609 R630 F632 K637 L638 V639 V667 N670	L609-E635 HydrophobicContact CD2-CB 3.69Å; R630-E635 IonicContact CZ-OE1 3.77Å; R630-E635 IonicContact NE-OE1 2.72Å; R630-E635 IonicContact NH2-OE1 3.94Å; R630-E635 PolarHBondContact NH2-OE1 3.42Å; F632-E635 PolarHBondContact O-N 3.49Å; E635-K637 PolarHBondContact O-N 3.04Å; E635-L638 WeakPolarHBondContact O-CB 3.32Å; E635-L638 PolarHBondContact O-N 3.47Å; E635-V639 PolarHBondContact O-N 2.91Å; E635-V639 VanDerWaalsContact O-N 3.13Å; E635-V667 HydrophobicContact CB-CG1 4.26Å; E635-V667 HydrophobicContact CB-CG2 4.2Å; E635-N670 HydrophobicContact CG-CB 4.29Å; E635-N670 PolarHBondContact OE1-ND2 2.96Å
636	W	98.7	Very high	91.8	Very high	3 Å²	3	36.6 Å²	36.6	1%	0.011	20%	0.202	C	C	.	.	H	α-helix	trans	-57.7	-47.4	172.7	-87.9	112.4	0	0	0	111.5	E413 R417 Y421 L609 E613 F632 L638 V639 L640	E413-W636 HydrophobicContact CG-CH2 4.47Å; R417-W636 HydrophobicContact CB-CE3 4.32Å; R417-W636 HydrophobicContact CG-CD2 4.22Å; R417-W636 HydrophobicContact CG-CE3 4.13Å; R417-W636 HydrophobicContact CG-CH2 4.42Å; R417-W636 HydrophobicContact CG-CZ2 4.5Å; R417-W636 HydrophobicContact CG-CZ3 4.24Å; Y421-W636 HydrophobicContact CD2-CB 4.44Å; Y421-W636 HydrophobicContact CE2-CB 3.53Å; Y421-W636 HydrophobicContact CE2-CG 4.03Å; L609-W636 HydrophobicContact CB-CD2 4.4Å; L609-W636 HydrophobicContact CB-CH2 4.27Å; L609-W636 HydrophobicContact CB-CZ2 3.61Å; L609-W636 HydrophobicContact CD1-CD2 3.63Å; L609-W636 HydrophobicContact CD1-CE3 3.86Å; L609-W636 HydrophobicContact CD1-CG 4.01Å; L609-W636 HydrophobicContact CD1-CH2 4.4Å; L609-W636 HydrophobicContact CD1-CZ2 4.21Å; L609-W636 HydrophobicContact CD1-CZ3 4.24Å; E613-W636 PolarHBondContact OE1-NE1 3.12Å; F632-W636 PolarHBondContact O-N 3.26Å; W636-L638 PolarHBondContact O-N 3.37Å; W636-V639 PolarHBondContact O-N 3.49Å; W636-L640 HydrophobicContact CE3-CD2 4.4Å; W636-L640 WeakPolarHBondContact O-CB 3.41Å; W636-L640 VanDerWaalsContact O-CG 3.22Å; W636-L640 WeakPolarHBondContact O-CG 3.04Å; W636-L640 PolarHBondContact O-N 2.75Å
637	K	98.8	Very high	93.2	Very high	73 Å²	73	28.4 Å²	28.4	32%	0.317	17%	0.167	S	C	.	.	H	α-helix	trans	-58.7	-32.1	179.2	-76.9	170.3	179.2	-178.6	0	113.3	W402 G633 A634 E635 Q641	W402-K637 HydrophobicContact CD2-CG 4.21Å; W402-K637 HydrophobicContact CH2-CD 3.89Å; W402-K637 HydrophobicContact CH2-CG 4.39Å; W402-K637 HydrophobicContact CZ2-CB 4.15Å; W402-K637 HydrophobicContact CZ2-CD 3.66Å; W402-K637 HydrophobicContact CZ2-CG 3.8Å; W402-K637 HydrophobicContact CZ3-CD 4.45Å; G633-K637 WeakPolarHBondContact O-CB 3.35Å; G633-K637 WeakPolarHBondContact O-CD 3.34Å; G633-K637 WeakPolarHBondContact O-CG 3.44Å; G633-K637 PolarHBondContact O-N 2.78Å; A634-K637 PolarHBondContact O-N 2.66Å; E635-K637 PolarHBondContact O-N 3.04Å; K637-Q641 VanDerWaalsContact O-CB 3.22Å; K637-Q641 WeakPolarHBondContact O-CB 3.5Å; K637-Q641 PolarHBondContact O-N 2.92Å
638	L	98.7	Very high	94.8	Very high	38 Å²	38	26.1 Å²	26.1	20%	0.199	16%	0.156	C	C	.	.	H	α-helix	trans	-68.5	-44.7	172.3	-67	175	0	0	0	111.9	A634 E635 W636 Q641 N642 M663 K666 V667	A634-L638 PolarHBondContact O-N 2.91Å; E635-L638 WeakPolarHBondContact O-CB 3.32Å; E635-L638 PolarHBondContact O-N 3.47Å; W636-L638 PolarHBondContact O-N 3.37Å; L638-Q641 PolarHBondContact O-N 2.89Å; L638-N642 PolarHBondContact O-N 3.15Å; L638-M663 HydrophobicContact CD2-CG 4.25Å; L638-M663 HydrophobicContact CD2-SD 4.26Å; L638-K666 HydrophobicContact CD1-CD 4.36Å; L638-V667 HydrophobicContact CB-CG2 3.98Å; L638-V667 HydrophobicContact CD1-CG2 4.02Å
639	V	98.9	Very high	96.5	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-60.7	-49.2	175.3	174.5	0	0	0	0	110.4	C605 L609 E635 W636 Q641 N642 Q643 Y664 V667	C605-V639 HydrophobicContact CB-CG2 3.67Å; L609-V639 HydrophobicContact CD1-CB 4.45Å; L609-V639 HydrophobicContact CD1-CG2 3.73Å; E635-V639 PolarHBondContact O-N 2.91Å; E635-V639 VanDerWaalsContact O-N 3.13Å; W636-V639 PolarHBondContact O-N 3.49Å; V639-Q641 VanDerWaalsContact C-N 3.34Å; V639-Q641 PolarHBondContact O-N 2.69Å; V639-N642 PolarHBondContact O-N 2.89Å; V639-N642 VanDerWaalsContact O-N 3.11Å; V639-Q643 WeakPolarHBondContact O-CG 3.28Å; V639-Q643 PolarHBondContact O-N 3.29Å; V639-Y664 HydrophobicContact CG1-CE1 4.42Å; V639-Y664 HydrophobicContact CG2-CE1 4.33Å; V639-V667 HydrophobicContact CG2-CG1 4.12Å; V639-V667 HydrophobicContact CG2-CG2 4.25Å
640	L	98.9	Very high	97.6	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-65.1	-35.2	-178.8	-62.7	177.7	0	0	0	112.9	W402 V403 S414 R417 Q418 Y421 W636 N642 Q643	W402-L640 HydrophobicContact CB-CD1 4.44Å; V403-L640 WeakPolarHBondContact CG2-O 3.24Å; S414-L640 WeakPolarHBondContact O-CD2 3.39Å; R417-L640 HydrophobicContact CB-CD1 3.89Å; R417-L640 HydrophobicContact CB-CD2 4Å; R417-L640 HydrophobicContact CB-CG 4.48Å; Q418-L640 HydrophobicContact CG-CD2 4.01Å; Q418-L640 PolarHBondContact NE2-O 2.8Å; Y421-L640 HydrophobicContact CD2-CD1 3.54Å; Y421-L640 HydrophobicContact CE2-CD1 4.15Å; W636-L640 HydrophobicContact CE3-CD2 4.4Å; W636-L640 WeakPolarHBondContact O-CB 3.41Å; W636-L640 VanDerWaalsContact O-CG 3.22Å; W636-L640 WeakPolarHBondContact O-CG 3.04Å; W636-L640 PolarHBondContact O-N 2.75Å; L640-N642 VanDerWaalsContact C-N 3.28Å; L640-N642 PolarHBondContact O-N 2.87Å; L640-Q643 VanDerWaalsContact CD2-OE1 3.3Å; L640-Q643 WeakPolarHBondContact O-CB 3.33Å; L640-Q643 PolarHBondContact O-N 2.88Å; L640-Q643 VanDerWaalsContact O-N 3.12Å
641	Q	98.8	Very high	98.1	Very high	17 Å²	17	14.9 Å²	14.9	8%	0.079	9%	0.085	C	C	.	.	H	α-helix	trans	-58.5	-43.1	172.1	171.2	176	-20.3	0	0	111.1	F338 L370 K637 L638 V639 Q643 F644	F338-Q641 HydrophobicContact CD1-CG 4.25Å; F338-Q641 HydrophobicContact CE1-CG 3.74Å; F338-Q641 HydrophobicContact CZ-CG 4.15Å; L370-Q641 HydrophobicContact CD2-CB 4.03Å; L370-Q641 HydrophobicContact CD2-CG 3.75Å; K637-Q641 VanDerWaalsContact O-CB 3.22Å; K637-Q641 WeakPolarHBondContact O-CB 3.5Å; K637-Q641 PolarHBondContact O-N 2.92Å; L638-Q641 PolarHBondContact O-N 2.89Å; V639-Q641 VanDerWaalsContact C-N 3.34Å; V639-Q641 PolarHBondContact O-N 2.69Å; Q641-Q643 PolarHBondContact O-N 3.33Å; Q641-F644 PolarHBondContact O-N 2.85Å
642	N	98.8	Very high	98.4	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-72.4	-10.5	178.3	-68.7	-14.7	0	0	0	113.4	L638 V639 L640 F644 V647 L648 V660 Y664	L638-N642 PolarHBondContact O-N 3.15Å; V639-N642 PolarHBondContact O-N 2.89Å; V639-N642 VanDerWaalsContact O-N 3.11Å; L640-N642 VanDerWaalsContact C-N 3.28Å; L640-N642 PolarHBondContact O-N 2.87Å; N642-F644 VanDerWaalsContact C-N 3.3Å; N642-V647 HydrophobicContact CB-CG1 4.42Å; N642-V647 WeakPolarHBondContact O-CG1 3.32Å; N642-L648 WeakPolarHBondContact O-CB 3.25Å; N642-L648 PolarHBondContact O-N 3.27Å; N642-V660 HydrophobicContact CB-CG1 4.35Å; N642-V660 PolarHBondContact ND2-O 3.03Å; N642-Y664 HydrophobicContact CB-CE1 4.23Å; N642-Y664 HydrophobicContact CB-CE2 4.07Å; N642-Y664 VanDerWaalsContact CB-OH 3.29Å; N642-Y664 WeakPolarHBondContact CB-OH 3.41Å
643	Q	98.9	Very high	98.5	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	7.2	176.3	-66	175.6	-5.8	0	0	114.2	S405 D406 P410 S414 N602 E606 V639 L640 Q641 L648	S405-Q643 CarbonylContact C-O 3.5Å; S405-Q643 WeakPolarHBondContact CA-O 3.39Å; S405-Q643 WeakPolarHBondContact CB-O 3.31Å; D406-Q643 PolarHBondContact N-O 3.44Å; P410-Q643 HydrophobicContact CG-CB 4.22Å; P410-Q643 HydrophobicContact CG-CG 4.32Å; S414-Q643 VanDerWaalsContact CB-NE2 3.32Å; S414-Q643 PolarHBondContact OG-NE2 2.71Å; N602-Q643 WeakPolarHBondContact OD1-CG 3.19Å; N602-Q643 PolarHBondContact OD1-NE2 3.06Å; E606-Q643 PolarHBondContact OE1-NE2 3.48Å; V639-Q643 WeakPolarHBondContact O-CG 3.28Å; V639-Q643 PolarHBondContact O-N 3.29Å; L640-Q643 VanDerWaalsContact CD2-OE1 3.3Å; L640-Q643 WeakPolarHBondContact O-CB 3.33Å; L640-Q643 PolarHBondContact O-N 2.88Å; L640-Q643 VanDerWaalsContact O-N 3.12Å; Q641-Q643 PolarHBondContact O-N 3.33Å; Q643-L648 HydrophobicContact CB-CD2 4.25Å; Q643-L648 HydrophobicContact CG-CD2 4.06Å
644	F	98.8	Very high	98.5	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	8%	0.075	C	C	.	.	B	Isolated β-bridge	trans	-52.4	145.8	170.8	-171.6	-103.2	0	0	0	111.2	D331 T332 V403 E404 Q641 N642 D646 V647 L648 P649	D331-F644 VanDerWaalsContact CA-CZ 3.46Å; D331-F644 HydrophobicContact CB-CE1 3.7Å; D331-F644 HydrophobicContact CB-CZ 3.97Å; T332-F644 VanDerWaalsContact OG1-CD2 3.28Å; T332-F644 WeakPolarHBondContact OG1-CD2 3.5Å; T332-F644 VanDerWaalsContact OG1-CE2 3.28Å; T332-F644 WeakPolarHBondContact OG1-CE2 3.45Å; V403-F644 HydrophobicContact CB-CD2 4.06Å; V403-F644 HydrophobicContact CG2-CB 4.36Å; V403-F644 HydrophobicContact CG2-CD2 4.44Å; E404-F644 HydrophobicContact CB-CE2 4.01Å; E404-F644 WeakPolarHBondContact O-CD2 3.28Å; Q641-F644 PolarHBondContact O-N 2.85Å; N642-F644 VanDerWaalsContact C-N 3.3Å; F644-D646 HydrophobicContact CD1-CB 4.16Å; F644-D646 HydrophobicContact CE1-CB 4.22Å; F644-D646 PolarHBondContact O-N 2.65Å; F644-D646 VanDerWaalsContact O-N 3.12Å; F644-V647 HydrophobicContact CB-CB 4.15Å; F644-V647 HydrophobicContact CB-CG2 3.91Å; F644-V647 HydrophobicContact CD1-CG2 4.17Å; F644-V647 HydrophobicContact CG-CG2 4.49Å; F644-V647 PolarHBondContact O-N 2.88Å; F644-L648 PolarHBondContact O-N 2.96Å; F644-L648 VanDerWaalsContact O-N 3.09Å; F644-P649 WeakPolarHBondContact O-CD 3.37Å
645	H	98.5	Very high	98.4	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-15.9	-170.3	61.4	-96	0	0	0	115.3	H329 D331 E404 F443 P649	H329-H645 AromaticContact CE1-CE1 3.43Å; H329-H645 PolarHBondContact CE1-CE1 3.41Å; H329-H645 VanDerWaalsContact CE1-CE1 3.43Å; H329-H645 AromaticContact CE1-NE2 3.7Å; H329-H645 AromaticContact NE2-CE1 3.92Å; H329-H645 AromaticContact NE2-NE2 3.73Å; D331-H645 IonicContact OD1-CE1 3.93Å; D331-H645 IonicContact OD1-NE2 3.88Å; E404-H645 PolarHBondContact O-N 2.69Å; E404-H645 VanDerWaalsContact O-N 3.14Å; E404-H645 PolarHBondContact O-ND1 2.85Å; E404-H645 IonicContact OE2-CE1 3Å; F443-H645 WeakPolarHBondContact CD2-O 3.34Å; F443-H645 WeakPolarHBondContact CE2-O 3.35Å; H645-P649 VanDerWaalsContact O-CB 3.32Å; H645-P649 WeakPolarHBondContact O-CB 3.09Å; H645-P649 VanDerWaalsContact O-CD 3.22Å; H645-P649 WeakPolarHBondContact O-CD 3.49Å; H645-P649 WeakPolarHBondContact O-CG 3.2Å
646	D	98.5	Very high	98.4	Very high	3 Å²	3	12.8 Å²	12.8	2%	0.016	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.4	-27.9	166.8	-77.8	-59.7	0	0	0	114.1	W334 F443 F644 G650 T651 C652	W334-D646 HydrophobicContact CB-CB 4.35Å; W334-D646 HydrophobicContact CG-CB 4.39Å; F443-D646 WeakPolarHBondContact CZ-OD1 3.25Å; F644-D646 HydrophobicContact CD1-CB 4.16Å; F644-D646 HydrophobicContact CE1-CB 4.22Å; F644-D646 PolarHBondContact O-N 2.65Å; F644-D646 VanDerWaalsContact O-N 3.12Å; D646-G650 PolarHBondContact O-N 3.02Å; D646-T651 WeakPolarHBondContact CA-OG1 3.42Å; D646-T651 WeakPolarHBondContact CB-OG1 3.47Å; D646-T651 PolarHBondContact O-N 3.45Å; D646-T651 PolarHBondContact O-OG1 2.89Å; D646-T651 PolarHBondContact OD1-OG1 3.1Å; D646-C652 VanDerWaalsContact C-SG 3.55Å; D646-C652 PolarHBondContact O-SG 3.2Å; D646-C652 VanDerWaalsContact O-SG 3.32Å
647	V	98.8	Very high	98.4	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-58	-172.7	-179.2	0	0	0	0	110.2	A333 F338 N642 F644 G650 V656 Y657 V660	A333-V647 HydrophobicContact CB-CG2 3.94Å; F338-V647 HydrophobicContact CE1-CG2 4.28Å; F338-V647 HydrophobicContact CZ-CG1 4.33Å; F338-V647 HydrophobicContact CZ-CG2 4.05Å; N642-V647 HydrophobicContact CB-CG1 4.42Å; N642-V647 WeakPolarHBondContact O-CG1 3.32Å; F644-V647 HydrophobicContact CB-CB 4.15Å; F644-V647 HydrophobicContact CB-CG2 3.91Å; F644-V647 HydrophobicContact CD1-CG2 4.17Å; F644-V647 HydrophobicContact CG-CG2 4.49Å; F644-V647 PolarHBondContact O-N 2.88Å; V647-G650 PolarHBondContact O-N 2.79Å; V647-V656 HydrophobicContact CG1-CG1 4.37Å; V647-V656 HydrophobicContact CG2-CG1 4.23Å; V647-Y657 WeakPolarHBondContact O-CE1 3.21Å; V647-Y657 PolarHBondContact O-OH 2.81Å; V647-V660 HydrophobicContact CG1-CG2 3.36Å
648	L	98.8	Very high	98.4	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-42.2	-176.9	173.2	70.1	0	0	0	112.3	I409 P410 V598 K599 N602 N642 Q643 F644 G650	I409-L648 HydrophobicContact CB-CD2 3.71Å; I409-L648 HydrophobicContact CB-CG 4.19Å; I409-L648 HydrophobicContact CD1-CG 4.46Å; I409-L648 HydrophobicContact CG2-CD1 4.04Å; I409-L648 HydrophobicContact CG2-CD2 3.57Å; I409-L648 HydrophobicContact CG2-CG 3.79Å; P410-L648 HydrophobicContact CG-CD2 3.69Å; V598-L648 HydrophobicContact CG1-CD1 4.41Å; K599-L648 HydrophobicContact CG-CD1 4.28Å; K599-L648 PolarHBondContact NZ-O 3.42Å; N602-L648 HydrophobicContact CB-CD1 3.79Å; N642-L648 WeakPolarHBondContact O-CB 3.25Å; N642-L648 PolarHBondContact O-N 3.27Å; Q643-L648 HydrophobicContact CB-CD2 4.25Å; Q643-L648 HydrophobicContact CG-CD2 4.06Å; F644-L648 PolarHBondContact O-N 2.96Å; F644-L648 VanDerWaalsContact O-N 3.09Å; L648-G650 PolarHBondContact O-N 2.86Å
649	P	98.6	Very high	98.3	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-20.8	170.2	-42.4	51.2	0	0	0	116.2	D406 I409 F443 T591 K599 F644 H645 T651	D406-P649 HydrophobicContact CB-CG 3.82Å; I409-P649 HydrophobicContact CD1-CG 4.29Å; F443-P649 HydrophobicContact CD2-CB 3.85Å; F443-P649 HydrophobicContact CD2-CG 4.04Å; F443-P649 HydrophobicContact CE2-CB 4.06Å; F443-P649 HydrophobicContact CE2-CG 4.46Å; T591-P649 WeakPolarHBondContact CA-O 3.11Å; T591-P649 HydrophobicContact CG2-CB 3.86Å; K599-P649 PolarHBondContact NZ-O 3.29Å; F644-P649 WeakPolarHBondContact O-CD 3.37Å; H645-P649 VanDerWaalsContact O-CB 3.32Å; H645-P649 WeakPolarHBondContact O-CB 3.09Å; H645-P649 VanDerWaalsContact O-CD 3.22Å; H645-P649 WeakPolarHBondContact O-CD 3.49Å; H645-P649 WeakPolarHBondContact O-CG 3.2Å; P649-T651 HydrophobicContact CB-CG2 4.43Å
650	G	98.3	Very high	98.3	Very high	1 Å²	1	15.5 Å²	15.5	1%	0.01	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	93	31.7	173.2	0	0	0	0	0	113.6	T594 H595 D646 V647 L648 Y657	T594-G650 WeakPolarHBondContact CG2-O 3.4Å; H595-G650 PolarHBondContact CD2-O 3.41Å; D646-G650 PolarHBondContact O-N 3.02Å; V647-G650 PolarHBondContact O-N 2.79Å; L648-G650 PolarHBondContact O-N 2.86Å; G650-Y657 WeakPolarHBondContact CA-OH 3.31Å
651	T	98.2	Very high	98.3	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.086	C	C	.	.			trans	-116	23.3	-169.4	56.2	0	0	0	0	114.6	W334 F443 T591 D646 P649 Y657 A782 W783 P937	W334-T651 PolarHBondContact NE1-O 2.89Å; F443-T651 HydrophobicContact CE2-CG2 4.43Å; T591-T651 HydrophobicContact CG2-CG2 3.78Å; D646-T651 WeakPolarHBondContact CA-OG1 3.42Å; D646-T651 WeakPolarHBondContact CB-OG1 3.47Å; D646-T651 PolarHBondContact O-N 3.45Å; D646-T651 PolarHBondContact O-OG1 2.89Å; D646-T651 PolarHBondContact OD1-OG1 3.1Å; P649-T651 HydrophobicContact CB-CG2 4.43Å; T651-Y657 PolarHBondContact N-OH 3.01Å; T651-A782 HydrophobicContact CG2-CB 4.44Å; T651-W783 VanDerWaalsContact CB-CZ2 3.4Å; T651-W783 HydrophobicContact CG2-CB 4.37Å; T651-W783 VanDerWaalsContact CG2-CD1 3.44Å; T651-W783 HydrophobicContact CG2-CD2 3.43Å; T651-W783 VanDerWaalsContact CG2-CD2 3.43Å; T651-W783 VanDerWaalsContact CG2-CE2 3.45Å; T651-W783 HydrophobicContact CG2-CE3 4.11Å; T651-W783 HydrophobicContact CG2-CG 3.5Å; T651-W783 VanDerWaalsContact CG2-CG 3.5Å; T651-W783 HydrophobicContact CG2-CZ2 4.14Å; T651-W783 VanDerWaalsContact O-CH2 3.24Å; T651-W783 WeakPolarHBondContact O-CH2 3.5Å; T651-W783 WeakPolarHBondContact O-CZ2 3.4Å; T651-P937 WeakPolarHBondContact O-CG 3.25Å
652	C	98.5	Very high	98.3	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	11%	0.114	C	C	.	.	S	Bend	trans	-106	167	-179.5	-60.2	0	0	0	0	113.7	A333 W334 D646 V656 Y657 P937	A333-C652 PolarHBondContact O-SG 2.94Å; W334-C652 WeakPolarHBondContact O-CA 3.48Å; W334-C652 WeakPolarHBondContact O-CB 3.44Å; D646-C652 VanDerWaalsContact C-SG 3.55Å; D646-C652 PolarHBondContact O-SG 3.2Å; D646-C652 VanDerWaalsContact O-SG 3.32Å; C652-V656 HydrophobicContact CB-CB 3.62Å; C652-V656 HydrophobicContact CB-CG1 3.75Å; C652-V656 HydrophobicContact CB-CG2 3.86Å; C652-Y657 HydrophobicContact CB-CE2 3.85Å; C652-Y657 WeakPolarHBondContact CB-OH 3.32Å; C652-Y657 PolarHBondContact N-OH 2.76Å; C652-Y657 VanDerWaalsContact O-CE2 3.24Å; C652-Y657 WeakPolarHBondContact O-CE2 3.04Å; C652-P937 WeakPolarHBondContact O-CG 3.4Å
653	I	97.7	Very high	98.3	Very high	6 Å²	6	25.6 Å²	25.6	3%	0.031	12%	0.122	C	C	.	.			trans	-66.8	156.5	171	58.2	168.9	0	0	0	111.6	W144 A233 W334 L335 L655 V656 P937	W144-I653 HydrophobicContact CZ2-CD1 4.05Å; A233-I653 HydrophobicContact CB-CD1 4.35Å; A233-I653 HydrophobicContact CB-CG2 4.42Å; W334-I653 PolarHBondContact O-N 2.78Å; W334-I653 VanDerWaalsContact O-N 3.09Å; L335-I653 HydrophobicContact CD2-CG2 4.1Å; I653-L655 HydrophobicContact CD1-CB 3.99Å; I653-L655 HydrophobicContact CG1-CB 4.28Å; I653-L655 PolarHBondContact O-N 3.1Å; I653-V656 HydrophobicContact CG1-CG2 3.93Å; I653-V656 WeakPolarHBondContact O-CB 3.35Å; I653-V656 PolarHBondContact O-N 2.79Å; I653-P937 HydrophobicContact CG2-CB 4.06Å
654	E	97	Very high	98.3	Very high	61 Å²	61	25.8 Å²	25.8	29%	0.285	12%	0.123	S	C	.	.	H	α-helix	trans	-49	-36.3	179.8	-168.7	-169.2	139.7	0	0	113.4	V656 Y657 K658 D938 N940	E654-V656 VanDerWaalsContact C-N 3.28Å; E654-V656 PolarHBondContact O-N 3.5Å; E654-Y657 PolarHBondContact O-N 2.84Å; E654-Y657 VanDerWaalsContact O-N 3.15Å; E654-K658 PolarHBondContact O-N 3.14Å; E654-K658 WeakPolarHBondContact OE1-CE 3.26Å; E654-K658 IonicContact OE1-NZ 2.78Å; E654-K658 PolarHBondContact OE1-NZ 3.02Å; E654-D938 WeakPolarHBondContact CA-OD2 3.48Å; E654-N940 PolarHBondContact OE2-ND2 2.85Å
655	L	96.5	Very high	98.3	Very high	66 Å²	66	29.1 Å²	29.1	35%	0.346	15%	0.146	S	C	.	.	H	α-helix	trans	-62.1	-35.5	-178.9	-160.7	72	0	0	0	112.5	P337 I653 Y657 K658 D659	P337-L655 HydrophobicContact CB-CD2 4.01Å; P337-L655 HydrophobicContact CG-CD2 3.84Å; I653-L655 HydrophobicContact CD1-CB 3.99Å; I653-L655 HydrophobicContact CG1-CB 4.28Å; I653-L655 PolarHBondContact O-N 3.1Å; L655-Y657 VanDerWaalsContact C-N 3.34Å; L655-K658 PolarHBondContact O-N 2.96Å; L655-D659 PolarHBondContact O-N 3.2Å
656	V	98.4	Very high	98.3	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-66	-40.9	176.6	175.7	0	0	0	0	110.1	A333 W336 F338 V647 C652 I653 E654 K658 D659 V660	A333-V656 HydrophobicContact CB-CB 4.49Å; A333-V656 HydrophobicContact CB-CG1 3.72Å; A333-V656 HydrophobicContact CB-CG2 3.88Å; W336-V656 WeakPolarHBondContact O-CG2 3.37Å; F338-V656 HydrophobicContact CE2-CG1 4.21Å; F338-V656 HydrophobicContact CZ-CG1 4.44Å; V647-V656 HydrophobicContact CG1-CG1 4.37Å; V647-V656 HydrophobicContact CG2-CG1 4.23Å; C652-V656 HydrophobicContact CB-CB 3.62Å; C652-V656 HydrophobicContact CB-CG1 3.75Å; C652-V656 HydrophobicContact CB-CG2 3.86Å; I653-V656 HydrophobicContact CG1-CG2 3.93Å; I653-V656 WeakPolarHBondContact O-CB 3.35Å; I653-V656 PolarHBondContact O-N 2.79Å; E654-V656 VanDerWaalsContact C-N 3.28Å; E654-V656 PolarHBondContact O-N 3.5Å; V656-K658 VanDerWaalsContact C-N 3.28Å; V656-K658 PolarHBondContact O-N 3.49Å; V656-D659 WeakPolarHBondContact O-CB 3.44Å; V656-D659 PolarHBondContact O-N 2.9Å; V656-D659 VanDerWaalsContact O-N 3.14Å; V656-V660 HydrophobicContact CG1-CG2 4.06Å; V656-V660 VanDerWaalsContact O-CG2 3.24Å; V656-V660 WeakPolarHBondContact O-CG2 3.37Å; V656-V660 PolarHBondContact O-N 3.27Å
657	Y	98.5	Very high	98.3	Very high	12 Å²	12	34.9 Å²	34.9	5%	0.047	17%	0.171	C	C	.	.	H	α-helix	trans	-70.2	-24.5	-179.3	-65.1	-56.1	0	0	0	113.9	H595 V598 V647 G650 T651 C652 E654 L655 V660 M661	H595-Y657 AromaticContact CD2-CD2 3.95Å; H595-Y657 AromaticContact CD2-CE2 3.41Å; H595-Y657 VanDerWaalsContact CD2-CE2 3.41Å; H595-Y657 WeakPolarHBondContact CD2-CE2 3.48Å; H595-Y657 AromaticContact CD2-CZ 3.7Å; H595-Y657 AromaticContact CE1-CD2 3.05Å; H595-Y657 WeakPolarHBondContact CE1-CD2 3.27Å; H595-Y657 AromaticContact CE1-CE2 3.38Å; H595-Y657 WeakPolarHBondContact CE1-CE2 3.39Å; H595-Y657 AromaticContact CE1-CG 3.55Å; H595-Y657 AromaticContact CG-CE2 3.88Å; H595-Y657 AromaticContact CG-CZ 3.91Å; H595-Y657 AromaticContact ND1-CD1 3.96Å; H595-Y657 AromaticContact ND1-CD2 3.62Å; H595-Y657 AromaticContact ND1-CE2 3.84Å; H595-Y657 AromaticContact ND1-CG 3.69Å; H595-Y657 AromaticContact NE2-CD2 3.29Å; H595-Y657 VanDerWaalsContact NE2-CD2 3.29Å; H595-Y657 WeakPolarHBondContact NE2-CD2 3.48Å; H595-Y657 AromaticContact NE2-CE2 3.1Å; H595-Y657 WeakPolarHBondContact NE2-CE2 3.3Å; H595-Y657 AromaticContact NE2-CZ 3.89Å; V598-Y657 HydrophobicContact CG2-CD1 3.6Å; V598-Y657 HydrophobicContact CG2-CE1 3.99Å; V598-Y657 HydrophobicContact CG2-CG 4.49Å; V647-Y657 WeakPolarHBondContact O-CE1 3.21Å; V647-Y657 PolarHBondContact O-OH 2.81Å; G650-Y657 WeakPolarHBondContact CA-OH 3.31Å; T651-Y657 PolarHBondContact N-OH 3.01Å; C652-Y657 HydrophobicContact CB-CE2 3.85Å; C652-Y657 WeakPolarHBondContact CB-OH 3.32Å; C652-Y657 PolarHBondContact N-OH 2.76Å; C652-Y657 VanDerWaalsContact O-CE2 3.24Å; C652-Y657 WeakPolarHBondContact O-CE2 3.04Å; E654-Y657 PolarHBondContact O-N 2.84Å; E654-Y657 VanDerWaalsContact O-N 3.15Å; L655-Y657 VanDerWaalsContact C-N 3.34Å; Y657-V660 HydrophobicContact CD1-CB 4.49Å; Y657-V660 HydrophobicContact CD1-CG2 4.44Å; Y657-M661 WeakPolarHBondContact O-CB 3.32Å; Y657-M661 WeakPolarHBondContact O-CG 3.4Å; Y657-M661 PolarHBondContact O-N 2.91Å
658	K	97.6	Very high	98.2	Very high	115 Å²	115	36.8 Å²	36.8	50%	0.5	18%	0.183	S	C	.	.	H	α-helix	trans	-62.5	-49.4	167.8	-69.3	174.1	-178.3	163.5	0	110.9	E654 L655 V656 M661 E662	E654-K658 PolarHBondContact O-N 3.14Å; E654-K658 WeakPolarHBondContact OE1-CE 3.26Å; E654-K658 IonicContact OE1-NZ 2.78Å; E654-K658 PolarHBondContact OE1-NZ 3.02Å; L655-K658 PolarHBondContact O-N 2.96Å; V656-K658 VanDerWaalsContact C-N 3.28Å; V656-K658 PolarHBondContact O-N 3.49Å; K658-M661 PolarHBondContact O-N 2.88Å; K658-E662 PolarHBondContact O-N 2.75Å; K658-E662 VanDerWaalsContact O-N 3.12Å
659	D	98	Very high	98.1	Very high	45 Å²	45	39.5 Å²	39.5	24%	0.241	21%	0.205	C	C	.	.	H	α-helix	trans	-61.1	-46.7	177.2	-66.7	-12.9	0	0	0	111.4	F338 L655 V656 M661 E662 M663	F338-D659 HydrophobicContact CD2-CB 3.94Å; F338-D659 HydrophobicContact CE2-CB 4.12Å; L655-D659 PolarHBondContact O-N 3.2Å; V656-D659 WeakPolarHBondContact O-CB 3.44Å; V656-D659 PolarHBondContact O-N 2.9Å; V656-D659 VanDerWaalsContact O-N 3.14Å; D659-M661 PolarHBondContact O-N 3.27Å; D659-E662 PolarHBondContact O-N 3Å; D659-M663 HydrophobicContact CB-CE 4.25Å; D659-M663 VanDerWaalsContact O-CG 3.32Å; D659-M663 WeakPolarHBondContact O-CG 3.46Å; D659-M663 PolarHBondContact O-N 2.95Å
660	V	98.8	Very high	98.1	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-58.4	-47.3	-179.4	168.3	0	0	0	0	111.6	F338 V598 N642 V647 V656 Y657 M663 Y664	F338-V660 HydrophobicContact CE2-CG2 4.1Å; F338-V660 HydrophobicContact CZ-CG2 4.31Å; V598-V660 HydrophobicContact CG1-CG1 3.98Å; V598-V660 HydrophobicContact CG2-CG1 4.28Å; N642-V660 HydrophobicContact CB-CG1 4.35Å; N642-V660 PolarHBondContact ND2-O 3.03Å; V647-V660 HydrophobicContact CG1-CG2 3.36Å; V656-V660 HydrophobicContact CG1-CG2 4.06Å; V656-V660 VanDerWaalsContact O-CG2 3.24Å; V656-V660 WeakPolarHBondContact O-CG2 3.37Å; V656-V660 PolarHBondContact O-N 3.27Å; Y657-V660 HydrophobicContact CD1-CB 4.49Å; Y657-V660 HydrophobicContact CD1-CG2 4.44Å; V660-M663 PolarHBondContact O-N 2.87Å; V660-Y664 HydrophobicContact CG1-CD2 3.65Å; V660-Y664 HydrophobicContact CG1-CE2 3.43Å; V660-Y664 VanDerWaalsContact CG1-CE2 3.43Å; V660-Y664 WeakPolarHBondContact O-CD2 3.45Å; V660-Y664 PolarHBondContact O-N 3.03Å
661	M	98.3	Very high	98	Very high	49 Å²	49	42 Å²	42	24%	0.241	22%	0.218	C	C	.	.	H	α-helix	trans	-69.6	-33.1	-178.8	-68.3	-56.8	-61.2	0	0	112.2	M597 V598 Y657 K658 D659 S665	M597-M661 HydrophobicContact CE-CE 4.26Å; V598-M661 HydrophobicContact CG2-SD 4.34Å; Y657-M661 WeakPolarHBondContact O-CB 3.32Å; Y657-M661 WeakPolarHBondContact O-CG 3.4Å; Y657-M661 PolarHBondContact O-N 2.91Å; K658-M661 PolarHBondContact O-N 2.88Å; D659-M661 PolarHBondContact O-N 3.27Å; M661-S665 VanDerWaalsContact O-CB 3.29Å; M661-S665 WeakPolarHBondContact O-CB 3.3Å; M661-S665 PolarHBondContact O-N 3.47Å; M661-S665 PolarHBondContact O-OG 2.89Å
662	E	98.5	Very high	97.8	Very high	144 Å²	144	44.7 Å²	44.7	67%	0.673	23%	0.233	S	C	*	.	H	α-helix	trans	-63.3	-46.7	171.2	-173.9	-179.7	166.1	0	0	111.1	K658 D659 Y664 S665 K666	K658-E662 PolarHBondContact O-N 2.75Å; K658-E662 VanDerWaalsContact O-N 3.12Å; D659-E662 PolarHBondContact O-N 3Å; E662-Y664 PolarHBondContact O-N 3.3Å; E662-S665 PolarHBondContact O-N 2.83Å; E662-K666 PolarHBondContact O-N 3.42Å
663	M	98.7	Very high	97.5	Very high	36 Å²	36	49.1 Å²	49.1	18%	0.177	26%	0.263	C	S	.	.	H	α-helix	trans	-60.7	-46.8	178	-68.8	177.2	-163.5	0	0	111.9	F338 L638 D659 V660 S665 K666 V667	F338-M663 HydrophobicContact CD2-CE 3.85Å; F338-M663 HydrophobicContact CE2-CE 4.03Å; F338-M663 HydrophobicContact CE2-SD 4.47Å; L638-M663 HydrophobicContact CD2-CG 4.25Å; L638-M663 HydrophobicContact CD2-SD 4.26Å; D659-M663 HydrophobicContact CB-CE 4.25Å; D659-M663 VanDerWaalsContact O-CG 3.32Å; D659-M663 WeakPolarHBondContact O-CG 3.46Å; D659-M663 PolarHBondContact O-N 2.95Å; V660-M663 PolarHBondContact O-N 2.87Å; M663-S665 PolarHBondContact O-N 3.21Å; M663-K666 WeakPolarHBondContact O-CB 3.23Å; M663-K666 PolarHBondContact O-N 2.82Å; M663-V667 WeakPolarHBondContact O-CG2 3.38Å; M663-V667 PolarHBondContact O-N 2.74Å
664	Y	98.8	Very high	97.3	Very high	3 Å²	3	50 Å²	50	1%	0.012	27%	0.267	C	S	.	.	H	α-helix	trans	-63	-42.5	175.9	-76.1	-48.1	0	0	0	112.1	V598 S601 N602 C605 V639 N642 V660 E662 K666 V667 V668	V598-Y664 HydrophobicContact CG1-CE2 4.19Å; S601-Y664 VanDerWaalsContact CB-CD2 3.48Å; N602-Y664 HydrophobicContact CB-CE1 4.41Å; N602-Y664 WeakPolarHBondContact CB-OH 3.21Å; N602-Y664 PolarHBondContact OD1-OH 3.29Å; C605-Y664 HydrophobicContact CB-CD1 4.23Å; C605-Y664 HydrophobicContact CB-CE1 4.45Å; C605-Y664 VanDerWaalsContact SG-CD1 3.56Å; V639-Y664 HydrophobicContact CG1-CE1 4.42Å; V639-Y664 HydrophobicContact CG2-CE1 4.33Å; N642-Y664 HydrophobicContact CB-CE1 4.23Å; N642-Y664 HydrophobicContact CB-CE2 4.07Å; N642-Y664 VanDerWaalsContact CB-OH 3.29Å; N642-Y664 WeakPolarHBondContact CB-OH 3.41Å; V660-Y664 HydrophobicContact CG1-CD2 3.65Å; V660-Y664 HydrophobicContact CG1-CE2 3.43Å; V660-Y664 VanDerWaalsContact CG1-CE2 3.43Å; V660-Y664 WeakPolarHBondContact O-CD2 3.45Å; V660-Y664 PolarHBondContact O-N 3.03Å; E662-Y664 PolarHBondContact O-N 3.3Å; Y664-K666 VanDerWaalsContact C-N 3.27Å; Y664-K666 PolarHBondContact O-N 2.98Å; Y664-V667 PolarHBondContact O-N 2.85Å; Y664-V667 VanDerWaalsContact O-N 3.15Å; Y664-V668 WeakPolarHBondContact O-CG2 3.18Å; Y664-V668 PolarHBondContact O-N 3.05Å
665	S	98.5	Very high	97.1	Very high	70 Å²	70	47.1 Å²	47.1	49%	0.49	25%	0.254	S	S	.	.	H	α-helix	trans	-59.7	-40.1	177.6	-61.7	0	0	0	0	111.6	M661 E662 M663 V668 A669	M661-S665 VanDerWaalsContact O-CB 3.29Å; M661-S665 WeakPolarHBondContact O-CB 3.3Å; M661-S665 PolarHBondContact O-N 3.47Å; M661-S665 PolarHBondContact O-OG 2.89Å; E662-S665 PolarHBondContact O-N 2.83Å; M663-S665 PolarHBondContact O-N 3.21Å; S665-V668 PolarHBondContact O-N 2.98Å; S665-A669 WeakPolarHBondContact O-CB 3.45Å; S665-A669 PolarHBondContact O-N 3.45Å
666	K	98.4	Very high	96.8	Very high	125 Å²	125	47.4 Å²	47.4	54%	0.543	25%	0.252	S	S	.	.	H	α-helix	trans	-62.9	-45.3	174.4	-175.9	178.1	179.9	178.8	0	112.1	L638 E662 M663 Y664 A669 N670	L638-K666 HydrophobicContact CD1-CD 4.36Å; E662-K666 PolarHBondContact O-N 3.42Å; M663-K666 WeakPolarHBondContact O-CB 3.23Å; M663-K666 PolarHBondContact O-N 2.82Å; Y664-K666 VanDerWaalsContact C-N 3.27Å; Y664-K666 PolarHBondContact O-N 2.98Å; K666-A669 PolarHBondContact O-N 2.97Å; K666-N670 WeakPolarHBondContact O-CB 3.31Å; K666-N670 VanDerWaalsContact O-CG 3.27Å; K666-N670 PolarHBondContact O-N 2.89Å; K666-N670 PolarHBondContact O-OD1 2.79Å
667	V	98.7	Very high	96.2	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-61	-48.7	176.2	173.1	0	0	0	0	110.5	C605 L609 E635 L638 V639 M663 Y664 A669 N670 C671	C605-V667 HydrophobicContact CB-CG1 4.13Å; L609-V667 HydrophobicContact CD1-CG1 4.31Å; L609-V667 HydrophobicContact CD2-CG1 4.47Å; L609-V667 HydrophobicContact CG-CG1 4.37Å; E635-V667 HydrophobicContact CB-CG1 4.26Å; E635-V667 HydrophobicContact CB-CG2 4.2Å; L638-V667 HydrophobicContact CB-CG2 3.98Å; L638-V667 HydrophobicContact CD1-CG2 4.02Å; V639-V667 HydrophobicContact CG2-CG1 4.12Å; V639-V667 HydrophobicContact CG2-CG2 4.25Å; M663-V667 WeakPolarHBondContact O-CG2 3.38Å; M663-V667 PolarHBondContact O-N 2.74Å; Y664-V667 PolarHBondContact O-N 2.85Å; Y664-V667 VanDerWaalsContact O-N 3.15Å; V667-A669 PolarHBondContact O-N 2.77Å; V667-N670 PolarHBondContact O-N 3.46Å; V667-C671 WeakPolarHBondContact O-CB 3.34Å; V667-C671 PolarHBondContact O-N 3.47Å; V667-C671 PolarHBondContact O-SG 3.43Å; V667-C671 VanDerWaalsContact O-SG 3.36Å
668	V	98.1	Very high	95.8	Very high	40 Å²	40	51.2 Å²	51.2	24%	0.242	28%	0.278	C	S	.	.	H	α-helix	trans	-58.7	-46.3	178.4	172.5	0	0	0	0	111.3	L608 Y664 S665 C671 N672	L608-V668 HydrophobicContact CD1-CB 4.34Å; L608-V668 HydrophobicContact CD1-CG1 4.19Å; L608-V668 HydrophobicContact CD1-CG2 3.94Å; Y664-V668 WeakPolarHBondContact O-CG2 3.18Å; Y664-V668 PolarHBondContact O-N 3.05Å; S665-V668 PolarHBondContact O-N 2.98Å; V668-C671 PolarHBondContact O-N 3.23Å; V668-N672 WeakPolarHBondContact CG1-ND2 3.39Å; V668-N672 WeakPolarHBondContact O-CB 3.45Å; V668-N672 PolarHBondContact O-N 2.95Å; V668-N672 PolarHBondContact O-ND2 3.25Å
669	A	97	Very high	95.2	Very high	57 Å²	57	50.7 Å²	50.7	47%	0.471	29%	0.286	S	S	.	.	H	α-helix	trans	-61.3	-46	178	0	0	0	0	0	111.8	S665 K666 V667 S673	S665-A669 WeakPolarHBondContact O-CB 3.45Å; S665-A669 PolarHBondContact O-N 3.45Å; K666-A669 PolarHBondContact O-N 2.97Å; V667-A669 PolarHBondContact O-N 2.77Å; A669-S673 VanDerWaalsContact O-CB 3.24Å; A669-S673 WeakPolarHBondContact O-CB 3.43Å; A669-S673 PolarHBondContact O-N 3Å
670	N	96.8	Very high	94.7	Very high	52 Å²	52	54.6 Å²	54.6	28%	0.278	31%	0.307	S	S	.	.	H	α-helix	trans	-61.4	-45.8	177.7	-78.4	4	0	0	0	112.3	E635 K666 V667 F674	E635-N670 HydrophobicContact CG-CB 4.29Å; E635-N670 PolarHBondContact OE1-ND2 2.96Å; K666-N670 WeakPolarHBondContact O-CB 3.31Å; K666-N670 VanDerWaalsContact O-CG 3.27Å; K666-N670 PolarHBondContact O-N 2.89Å; K666-N670 PolarHBondContact O-OD1 2.79Å; V667-N670 PolarHBondContact O-N 3.46Å; N670-F674 PolarHBondContact O-N 3.48Å
671	C	96.8	Very high	94.3	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-65.2	-49	178.8	-73.6	0	0	0	0	111.8	L608 C612 V667 V668 S673 F674 L675	L608-C671 HydrophobicContact CB-CB 4.05Å; L608-C671 HydrophobicContact CD1-CB 4.49Å; C612-C671 VanDerWaalsContact SG-CA 3.58Å; C612-C671 VanDerWaalsContact SG-CB 3.52Å; C612-C671 VanDerWaalsContact SG-SG 3.63Å; V667-C671 WeakPolarHBondContact O-CB 3.34Å; V667-C671 PolarHBondContact O-N 3.47Å; V667-C671 PolarHBondContact O-SG 3.43Å; V667-C671 VanDerWaalsContact O-SG 3.36Å; V668-C671 PolarHBondContact O-N 3.23Å; C671-S673 VanDerWaalsContact C-N 3.32Å; C671-S673 PolarHBondContact O-N 3.12Å; C671-F674 PolarHBondContact O-N 3.26Å; C671-F674 VanDerWaalsContact O-N 3.15Å; C671-L675 WeakPolarHBondContact O-CB 3.3Å; C671-L675 WeakPolarHBondContact O-CG 3.46Å; C671-L675 PolarHBondContact O-N 3.28Å
672	N	94.1	Very high	93.9	Very high	58 Å²	58	56.6 Å²	56.6	31%	0.31	31%	0.312	S	S	.	.	H	α-helix	trans	-63	-39.3	179.1	-75.4	-26.5	0	0	0	111.9	V668 F674 L675 K676	V668-N672 WeakPolarHBondContact CG1-ND2 3.39Å; V668-N672 WeakPolarHBondContact O-CB 3.45Å; V668-N672 PolarHBondContact O-N 2.95Å; V668-N672 PolarHBondContact O-ND2 3.25Å; N672-F674 VanDerWaalsContact C-N 3.33Å; N672-F674 PolarHBondContact O-N 3.47Å; N672-L675 PolarHBondContact O-N 3.46Å; N672-K676 PolarHBondContact O-N 2.94Å
673	S	92.4	Very high	93.6	Very high	92 Å²	92	50.1 Å²	50.1	64%	0.643	28%	0.282	S	S	*	.	H	α-helix	trans	-62.6	-39.4	174.2	179.7	0	0	0	0	112.1	A669 C671	A669-S673 VanDerWaalsContact O-CB 3.24Å; A669-S673 WeakPolarHBondContact O-CB 3.43Å; A669-S673 PolarHBondContact O-N 3Å; C671-S673 VanDerWaalsContact C-N 3.32Å; C671-S673 PolarHBondContact O-N 3.12Å
674	F	93.1	Very high	93.5	Very high	25 Å²	25	48.7 Å²	48.7	11%	0.11	27%	0.274	C	S	.	.	H	α-helix	trans	-69.9	-44.5	177.2	178	-100.4	0	0	0	112.5	C612 L615 A616 L619 R630 F632 N670 C671 N672 K676 F1102	C612-F674 HydrophobicContact CB-CD1 4.12Å; C612-F674 HydrophobicContact CB-CE1 4.44Å; C612-F674 WeakPolarHBondContact O-CE1 3.49Å; L615-F674 HydrophobicContact CB-CE1 4.16Å; L615-F674 HydrophobicContact CD2-CD1 4.38Å; L615-F674 HydrophobicContact CD2-CE1 4.04Å; L615-F674 HydrophobicContact CG-CE1 4.16Å; A616-F674 HydrophobicContact CB-CE1 4.23Å; A616-F674 HydrophobicContact CB-CZ 3.94Å; L619-F674 HydrophobicContact CD1-CE2 4.12Å; L619-F674 HydrophobicContact CD1-CZ 3.74Å; R630-F674 HydrophobicContact CB-CE2 4.01Å; F632-F674 HydrophobicContact CE1-CD1 4.34Å; F632-F674 HydrophobicContact CE1-CG 4.34Å; F632-F674 HydrophobicContact CE2-CD1 4.46Å; F632-F674 HydrophobicContact CE2-CE1 4.17Å; F632-F674 HydrophobicContact CE2-CZ 4.31Å; F632-F674 HydrophobicContact CZ-CB 4.43Å; F632-F674 AromaticContact CZ-CD1 3.56Å; F632-F674 HydrophobicContact CZ-CD1 3.56Å; F632-F674 HydrophobicContact CZ-CD2 4.11Å; F632-F674 AromaticContact CZ-CE1 3.7Å; F632-F674 HydrophobicContact CZ-CE1 3.7Å; F632-F674 HydrophobicContact CZ-CE2 4.23Å; F632-F674 AromaticContact CZ-CG 3.76Å; F632-F674 HydrophobicContact CZ-CG 3.76Å; F632-F674 HydrophobicContact CZ-CZ 4.02Å; N670-F674 PolarHBondContact O-N 3.48Å; C671-F674 PolarHBondContact O-N 3.26Å; C671-F674 VanDerWaalsContact O-N 3.15Å; N672-F674 VanDerWaalsContact C-N 3.33Å; N672-F674 PolarHBondContact O-N 3.47Å; F674-K676 PolarHBondContact O-N 3.06Å; F674-F1102 WeakPolarHBondContact O-CE1 3.29Å; F674-F1102 WeakPolarHBondContact O-CZ 3.43Å
675	L	92.6	Very high	93.3	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-69	-17.1	-180	-71	173.7	0	0	0	113.1	L608 D611 L615 C671 N672 V677 M685 I984	L608-L675 HydrophobicContact CD2-CD1 4.16Å; D611-L675 HydrophobicContact CB-CD1 4.18Å; D611-L675 HydrophobicContact CB-CD2 4.45Å; L615-L675 HydrophobicContact CB-CD2 4.14Å; L615-L675 HydrophobicContact CD2-CD2 3.77Å; C671-L675 WeakPolarHBondContact O-CB 3.3Å; C671-L675 WeakPolarHBondContact O-CG 3.46Å; C671-L675 PolarHBondContact O-N 3.28Å; N672-L675 PolarHBondContact O-N 3.46Å; L675-V677 HydrophobicContact CB-CG2 3.67Å; L675-V677 HydrophobicContact CD1-CG2 4.27Å; L675-V677 PolarHBondContact O-N 2.81Å; L675-M685 HydrophobicContact CD2-CE 3.79Å; L675-I984 WeakPolarHBondContact O-CG2 3.41Å
676	K	90.3	Very high	93.2	Very high	72 Å²	72	45.2 Å²	45.2	31%	0.313	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.7	45.1	-172.2	-56.3	-168.9	-165.8	-179.1	0	111.5	N672 F674 S678 D985 F1102	N672-K676 PolarHBondContact O-N 2.94Å; F674-K676 PolarHBondContact O-N 3.06Å; K676-S678 PolarHBondContact O-N 2.87Å; K676-D985 PolarHBondContact O-N 2.87Å; K676-F1102 HydrophobicContact CB-CE2 4.12Å; K676-F1102 HydrophobicContact CB-CZ 4.13Å; K676-F1102 HydrophobicContact CD-CD2 4Å; K676-F1102 HydrophobicContact CD-CE1 4.4Å; K676-F1102 HydrophobicContact CD-CE2 3.42Å; K676-F1102 VanDerWaalsContact CD-CE2 3.42Å; K676-F1102 HydrophobicContact CD-CZ 3.65Å; K676-F1102 HydrophobicContact CG-CE1 4.47Å; K676-F1102 HydrophobicContact CG-CE2 3.81Å; K676-F1102 HydrophobicContact CG-CZ 3.61Å; K676-F1102 PolarHBondContact NZ-O 2.75Å
677	V	86.9	Confident	93.1	Very high	60 Å²	60	39.4 Å²	39.4	36%	0.364	23%	0.226	S	C	.	.	B	Isolated β-bridge	trans	-64	127.3	177.8	178.9	0	0	0	0	108.8	L675 R983	L675-V677 HydrophobicContact CB-CG2 3.67Å; L675-V677 HydrophobicContact CD1-CG2 4.27Å; L675-V677 PolarHBondContact O-N 2.81Å; V677-R983 WeakPolarHBondContact CA-O 3.43Å
678	S	88.8	Confident	93	Very high	32 Å²	32	39.5 Å²	39.5	22%	0.224	23%	0.226	C	C	.	.			trans	-143.8	137.3	179.9	175.4	0	0	0	0	110.5	K676 D680 G681 R983	K676-S678 PolarHBondContact O-N 2.87Å; S678-D680 PolarHBondContact O-N 2.98Å; S678-D680 VanDerWaalsContact O-N 3.13Å; S678-D680 PolarHBondContact OG-N 2.85Å; S678-D680 VanDerWaalsContact OG-N 3.12Å; S678-G681 PolarHBondContact O-N 3.09Å; S678-R983 PolarHBondContact N-O 3.1Å; S678-R983 WeakPolarHBondContact O-CG 3.25Å
679	P	86.3	Confident	92.9	Very high	105 Å²	105	38.6 Å²	38.6	68%	0.682	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-25.6	168.5	-24.7	34.6	0	0	0	113.4	R983	P679-R983 VanDerWaalsContact O-CD 3.23Å; P679-R983 WeakPolarHBondContact O-CD 3.33Å; P679-R983 PolarHBondContact O-NE 2.8Å; P679-R983 PolarHBondContact O-NH1 3.09Å
680	D	87.5	Confident	92.8	Very high	127 Å²	127	37.2 Å²	37.2	68%	0.679	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.7	2.4	-180	-62.3	-48.9	0	0	0	113.5	S678	S678-D680 PolarHBondContact O-N 2.98Å; S678-D680 VanDerWaalsContact O-N 3.13Å; S678-D680 PolarHBondContact OG-N 2.85Å; S678-D680 VanDerWaalsContact OG-N 3.12Å
681	G	88.8	Confident	92.7	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.217	C	C	.	.			trans	-53.2	143.9	-177.2	0	0	0	0	0	112.2	S678 I711 R983 I984	S678-G681 PolarHBondContact O-N 3.09Å; G681-I711 WeakPolarHBondContact O-CD1 3.34Å; G681-R983 VanDerWaalsContact O-CG 3.26Å; G681-R983 WeakPolarHBondContact O-CG 3.38Å; G681-R983 PolarHBondContact O-NE 3.31Å; G681-R983 PolarHBondContact O-NH2 2.82Å; G681-I984 CarbonylContact C-O 3.53Å; G681-I984 VanDerWaalsContact CA-O 3.3Å; G681-I984 WeakPolarHBondContact CA-O 3.32Å
682	R	90.6	Very high	92.6	Very high	91 Å²	91	39.5 Å²	39.5	34%	0.343	22%	0.219	S	C	.	.	S	Bend	trans	-92.7	-2.7	-172.4	-69.4	174.4	-69.6	153.9	9.9	113.9	I711 I984 D985 F986 A988 P990	R682-I711 PolarHBondContact O-N 2.72Å; R682-I984 PolarHBondContact N-O 3.2Å; R682-D985 IonicContact NE-OD1 3.93Å; R682-D985 IonicContact NH2-OD1 2.66Å; R682-F986 PolarHBondContact NH2-O 2.81Å; R682-A988 PolarHBondContact NH1-O 2.9Å; R682-A988 PolarHBondContact NH2-O 2.99Å; R682-P990 HydrophobicContact CB-CG 4.32Å
683	F	93.1	Very high	92.5	Very high	8 Å²	8	38.6 Å²	38.6	4%	0.035	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	143.7	-175.5	-61.2	-98.8	0	0	0	111.2	I708 V709 A710 R983 I984 F986 A988 P990 L995	F683-I708 HydrophobicContact CB-CG2 4.04Å; F683-I708 HydrophobicContact CD1-CG2 4.11Å; F683-I708 HydrophobicContact CG-CG2 4.38Å; F683-V709 CarbonylContact C-O 3.56Å; F683-V709 WeakPolarHBondContact CA-O 3.45Å; F683-A710 HydrophobicContact CD1-CB 4.25Å; F683-A710 HydrophobicContact CE1-CB 4.17Å; F683-R983 WeakPolarHBondContact O-CA 3.22Å; F683-I984 HydrophobicContact CB-CG1 3.91Å; F683-I984 PolarHBondContact N-O 3.39Å; F683-I984 PolarHBondContact O-N 3.07Å; F683-F986 HydrophobicContact CD2-CB 3.48Å; F683-F986 VanDerWaalsContact CD2-CB 3.48Å; F683-F986 HydrophobicContact CD2-CG 4.44Å; F683-F986 HydrophobicContact CE1-CD1 4.47Å; F683-F986 HydrophobicContact CE2-CB 3.59Å; F683-F986 HydrophobicContact CE2-CD1 4.06Å; F683-F986 HydrophobicContact CE2-CG 4.3Å; F683-F986 HydrophobicContact CG-CB 4.2Å; F683-F986 HydrophobicContact CZ-CB 4.35Å; F683-F986 AromaticContact CZ-CD1 3.99Å; F683-F986 HydrophobicContact CZ-CD1 3.99Å; F683-A988 HydrophobicContact CZ-CB 4.32Å; F683-P990 HydrophobicContact CE1-CG 4.09Å; F683-P990 HydrophobicContact CE2-CG 3.94Å; F683-P990 HydrophobicContact CZ-CB 4.38Å; F683-P990 HydrophobicContact CZ-CG 3.57Å; F683-L995 HydrophobicContact CE1-CD1 4.03Å; F683-L995 HydrophobicContact CZ-CD1 3.91Å
684	F	95	Very high	92.4	Very high	5 Å²	5	35.8 Å²	35.8	2%	0.022	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	138.5	164.5	-71.1	-43.9	0	0	0	110.5	V696 Y701 V703 I708 V709 I711 A714 I981 R982 R983	F684-V696 HydrophobicContact CZ-CG2 4.26Å; F684-Y701 HydrophobicContact CD2-CG 4.49Å; F684-Y701 AromaticContact CE2-CD1 3.71Å; F684-Y701 HydrophobicContact CE2-CD1 3.71Å; F684-Y701 AromaticContact CE2-CD2 3.99Å; F684-Y701 HydrophobicContact CE2-CD2 3.99Å; F684-Y701 HydrophobicContact CE2-CE1 4.15Å; F684-Y701 HydrophobicContact CE2-CE2 4.39Å; F684-Y701 AromaticContact CE2-CG 3.63Å; F684-Y701 HydrophobicContact CE2-CG 3.63Å; F684-Y701 HydrophobicContact CZ-CD2 4.33Å; F684-Y701 HydrophobicContact CZ-CE2 4.48Å; F684-Y701 HydrophobicContact CZ-CG 4.42Å; F684-V703 HydrophobicContact CB-CG1 4.03Å; F684-V703 HydrophobicContact CB-CG2 3.87Å; F684-V703 HydrophobicContact CD2-CG2 3.86Å; F684-V703 HydrophobicContact CG-CG2 4.12Å; F684-I708 WeakPolarHBondContact O-CA 3.28Å; F684-V709 HydrophobicContact CB-CG1 4.19Å; F684-V709 PolarHBondContact N-O 2.95Å; F684-V709 PolarHBondContact O-N 3.45Å; F684-I711 HydrophobicContact CD1-CG1 4.27Å; F684-I711 HydrophobicContact CD2-CG1 3.86Å; F684-I711 HydrophobicContact CE1-CD1 4.12Å; F684-I711 HydrophobicContact CE1-CG1 4.16Å; F684-I711 HydrophobicContact CE2-CB 4.25Å; F684-I711 HydrophobicContact CE2-CD1 4.38Å; F684-I711 HydrophobicContact CE2-CG1 3.74Å; F684-I711 HydrophobicContact CE2-CG2 4Å; F684-I711 HydrophobicContact CG-CG1 4.13Å; F684-I711 HydrophobicContact CZ-CD1 4.04Å; F684-I711 HydrophobicContact CZ-CG1 3.9Å; F684-I711 HydrophobicContact CZ-CG2 4.32Å; F684-A714 HydrophobicContact CD2-CB 4.19Å; F684-I981 HydrophobicContact CB-CG2 3.82Å; F684-I981 HydrophobicContact CD1-CG2 3.42Å; F684-I981 VanDerWaalsContact CD1-CG2 3.42Å; F684-I981 HydrophobicContact CE1-CG2 4.12Å; F684-I981 HydrophobicContact CG-CG2 3.73Å; F684-R982 WeakPolarHBondContact CA-O 3.26Å; F684-R983 HydrophobicContact CD1-CB 4.29Å; F684-R983 HydrophobicContact CD1-CG 4.49Å; F684-R983 HydrophobicContact CE1-CB 4.17Å; F684-R983 HydrophobicContact CE1-CG 4.22Å
685	M	95.4	Very high	92.2	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.005	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	126.2	171.7	-174.5	175.9	74.4	0	0	110.2	D611 F614 L615 L675 T687 S707 I708 R982 I984	D611-M685 HydrophobicContact CB-CE 4.07Å; F614-M685 HydrophobicContact CD1-CG 4.38Å; F614-M685 HydrophobicContact CD1-SD 4Å; F614-M685 HydrophobicContact CE1-CG 4.24Å; F614-M685 HydrophobicContact CE1-SD 4.33Å; L615-M685 HydrophobicContact CB-SD 4.07Å; L615-M685 HydrophobicContact CD1-SD 4.32Å; L675-M685 HydrophobicContact CD2-CE 3.79Å; M685-T687 HydrophobicContact CE-CG2 3.79Å; M685-T687 HydrophobicContact CG-CG2 4.08Å; M685-T687 HydrophobicContact SD-CG2 4.23Å; M685-S707 WeakPolarHBondContact CA-O 3.26Å; M685-I708 HydrophobicContact CB-CG1 4.35Å; M685-I708 HydrophobicContact CG-CG1 3.98Å; M685-I708 HydrophobicContact SD-CG1 4.49Å; M685-R982 HydrophobicContact CB-CB 4.39Å; M685-R982 HydrophobicContact CE-CB 4.28Å; M685-R982 HydrophobicContact CE-CG 4.16Å; M685-R982 PolarHBondContact N-O 3.4Å; M685-R982 PolarHBondContact O-N 3.16Å; M685-I984 HydrophobicContact CB-CD1 4.25Å
686	N	96.6	Very high	91.9	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	114.6	172.2	-178.6	21.1	0	0	0	110	L688 W690 R692 V703 P704 F706 S707 I981	N686-L688 PolarHBondContact OD1-N 2.84Å; N686-L688 VanDerWaalsContact OD1-N 3.11Å; N686-W690 PolarHBondContact ND2-O 3.04Å; N686-R692 PolarHBondContact OD1-NE 3.11Å; N686-V703 HydrophobicContact CB-CB 4.3Å; N686-V703 HydrophobicContact CB-CG1 3.56Å; N686-V703 PolarHBondContact ND2-O 2.81Å; N686-P704 WeakPolarHBondContact CB-O 3.49Å; N686-P704 PolarHBondContact ND2-O 2.83Å; N686-F706 CarbonylContact O-C 3.48Å; N686-F706 WeakPolarHBondContact O-CA 3.27Å; N686-F706 PolarHBondContact O-N 2.73Å; N686-S707 PolarHBondContact N-O 3.31Å; N686-S707 PolarHBondContact O-N 3.5Å; N686-I981 HydrophobicContact CB-CD1 3.71Å
687	T	96.6	Very high	91.6	Very high	3 Å²	3	41.3 Å²	41.3	2%	0.018	23%	0.228	C	C	.	.			trans	-97.7	3.4	-178.6	59.3	0	0	0	0	112.1	R610 D611 F614 M685 F706	R610-T687 PolarHBondContact NH1-O 3.49Å; R610-T687 PolarHBondContact NH1-OG1 3.05Å; R610-T687 PolarHBondContact NH2-O 3.49Å; D611-T687 HydrophobicContact CB-CG2 4.3Å; D611-T687 WeakPolarHBondContact OD1-CB 3.47Å; D611-T687 WeakPolarHBondContact OD1-CG2 3.49Å; D611-T687 PolarHBondContact OD1-OG1 3.17Å; F614-T687 HydrophobicContact CB-CG2 3.99Å; F614-T687 HydrophobicContact CD1-CG2 3.68Å; F614-T687 HydrophobicContact CE1-CG2 4.33Å; F614-T687 HydrophobicContact CG-CG2 3.83Å; M685-T687 HydrophobicContact CE-CG2 3.79Å; M685-T687 HydrophobicContact CG-CG2 4.08Å; M685-T687 HydrophobicContact SD-CG2 4.23Å; T687-F706 WeakPolarHBondContact O-CE1 3.24Å
688	L	96.7	Very high	91.4	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.005	24%	0.24	C	C	.	.	S	Bend	trans	-96.1	157.8	178.2	-63.5	174.2	0	0	0	111.4	N686 W690 A705 F706 Y975 E976	N686-L688 PolarHBondContact OD1-N 2.84Å; N686-L688 VanDerWaalsContact OD1-N 3.11Å; L688-W690 HydrophobicContact CB-CD2 4.39Å; L688-W690 HydrophobicContact CB-CH2 4.44Å; L688-W690 HydrophobicContact CB-CZ2 4.14Å; L688-W690 HydrophobicContact CD1-CZ2 3.87Å; L688-W690 HydrophobicContact CD2-CH2 4.24Å; L688-W690 HydrophobicContact CD2-CZ2 4.32Å; L688-W690 HydrophobicContact CG-CZ2 4.34Å; L688-W690 PolarHBondContact O-N 3.46Å; L688-A705 WeakPolarHBondContact O-CA 3.31Å; L688-F706 PolarHBondContact O-N 2.94Å; L688-Y975 HydrophobicContact CD2-CD1 3.79Å; L688-Y975 HydrophobicContact CD2-CG 4.21Å; L688-E976 HydrophobicContact CD1-CG 4.22Å
689	G	95.3	Very high	91.3	Very high	21 Å²	21	47.5 Å²	47.5	22%	0.216	25%	0.248	C	C	.	.	S	Bend	trans	-82.4	12.5	-172.2	0	0	0	0	0	116.3
690	W	95	Very high	91.6	Very high	28 Å²	28	42.6 Å²	42.6	11%	0.106	22%	0.216	C	C	.	.	S	Bend	trans	-140.3	161.3	178.1	53.5	89.9	0	0	0	110.8	N686 L688 A705 Q972 Y975 E976	N686-W690 PolarHBondContact ND2-O 3.04Å; L688-W690 HydrophobicContact CB-CD2 4.39Å; L688-W690 HydrophobicContact CB-CH2 4.44Å; L688-W690 HydrophobicContact CB-CZ2 4.14Å; L688-W690 HydrophobicContact CD1-CZ2 3.87Å; L688-W690 HydrophobicContact CD2-CH2 4.24Å; L688-W690 HydrophobicContact CD2-CZ2 4.32Å; L688-W690 HydrophobicContact CG-CZ2 4.34Å; L688-W690 PolarHBondContact O-N 3.46Å; W690-A705 WeakPolarHBondContact O-CA 3.27Å; W690-Q972 HydrophobicContact CD2-CB 4.33Å; W690-Q972 HydrophobicContact CD2-CG 3.86Å; W690-Q972 HydrophobicContact CE3-CG 3.96Å; W690-Q972 HydrophobicContact CH2-CB 4.2Å; W690-Q972 HydrophobicContact CH2-CG 3.9Å; W690-Q972 HydrophobicContact CZ2-CB 3.67Å; W690-Q972 HydrophobicContact CZ2-CG 3.8Å; W690-Q972 WeakPolarHBondContact CZ2-O 3.46Å; W690-Q972 HydrophobicContact CZ3-CG 3.98Å; W690-Y975 HydrophobicContact CH2-CD2 4.19Å; W690-Y975 HydrophobicContact CH2-CG 4.04Å; W690-Y975 HydrophobicContact CZ2-CG 4.47Å; W690-E976 PolarHBondContact NE1-OE1 2.73Å
691	D	94.7	Very high	91.9	Very high	91 Å²	91	37.2 Å²	37.2	49%	0.487	19%	0.186	S	C	.	.			trans	-69.9	138.6	177.1	-69.4	-0	0	0	0	110.1	V702 V703 P704 A705	D691-V702 HydrophobicContact CB-CG1 4.38Å; D691-V703 WeakPolarHBondContact CA-O 3.5Å; D691-P704 WeakPolarHBondContact OD1-CA 3.42Å; D691-A705 PolarHBondContact OD1-N 3.02Å
692	R	94.4	Very high	92.1	Very high	10 Å²	10	38.9 Å²	38.9	4%	0.038	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	133.2	-175.2	-61.7	-153.5	-68.1	164.1	-10.6	112.5	N686 V702 V703 E976 S979 I981	N686-R692 PolarHBondContact OD1-NE 3.11Å; R692-V702 CarbonylContact O-C 3.6Å; R692-V702 WeakPolarHBondContact O-CA 3.48Å; R692-V703 PolarHBondContact N-O 3.4Å; R692-V703 PolarHBondContact O-N 3.08Å; R692-E976 WeakPolarHBondContact CG-OE1 3.37Å; R692-S979 VanDerWaalsContact CZ-O 3.25Å; R692-S979 PolarHBondContact NH1-O 3.37Å; R692-S979 PolarHBondContact NH2-O 2.8Å; R692-I981 HydrophobicContact CB-CD1 4.36Å; R692-I981 VanDerWaalsContact CZ-CD1 3.45Å; R692-I981 VanDerWaalsContact NH2-CG1 3.34Å
693	S	92	Very high	92.4	Very high	38 Å²	38	34.6 Å²	34.6	27%	0.266	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	124.1	170.1	-64.1	0	0	0	0	109.4	Y701 R836	S693-Y701 CarbonylContact C-O 3.51Å; S693-Y701 WeakPolarHBondContact CA-O 3.25Å; S693-R836 PolarHBondContact OG-NE 3.31Å
694	V	91.1	Very high	92.5	Very high	34 Å²	34	34.9 Å²	34.9	21%	0.206	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	141.2	176.2	66.9	0	0	0	0	110.4	V696 Y701 V703 I981	V694-V696 HydrophobicContact CG1-CG2 4.42Å; V694-V696 HydrophobicContact CG2-CG2 3.85Å; V694-Y701 HydrophobicContact CG1-CD2 4.34Å; V694-Y701 HydrophobicContact CG1-CG 4.48Å; V694-Y701 PolarHBondContact N-O 2.87Å; V694-Y701 PolarHBondContact O-N 3.03Å; V694-V703 HydrophobicContact CG1-CG2 4.28Å; V694-I981 HydrophobicContact CB-CG1 4.38Å; V694-I981 HydrophobicContact CG1-CG1 4.4Å
695	V	89.5	Confident	92.5	Very high	24 Å²	24	35.4 Å²	35.4	15%	0.145	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	118.4	172.3	-176.6	0	0	0	0	108.5	K699 A811 R834	V695-K699 VanDerWaalsContact CA-O 3.26Å; V695-K699 WeakPolarHBondContact CA-O 3.29Å; V695-A811 HydrophobicContact CG1-CB 3.8Å; V695-R834 HydrophobicContact CG2-CB 4.2Å
696	V	85.9	Confident	92.6	Very high	42 Å²	42	35.4 Å²	35.4	26%	0.255	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	131.2	177.1	-176	0	0	0	0	107.2	F684 V694 Q698 K699 Y701	F684-V696 HydrophobicContact CZ-CG2 4.26Å; V694-V696 HydrophobicContact CG1-CG2 4.42Å; V694-V696 HydrophobicContact CG2-CG2 3.85Å; V696-Q698 PolarHBondContact O-N 2.77Å; V696-Q698 VanDerWaalsContact O-N 3.14Å; V696-K699 PolarHBondContact N-O 3.25Å; V696-K699 PolarHBondContact O-N 3.03Å; V696-Y701 HydrophobicContact CB-CD2 4.38Å; V696-Y701 HydrophobicContact CB-CE2 3.98Å
697	E	83.6	Confident	92.5	Very high	147 Å²	147	35.4 Å²	35.4	69%	0.687	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.9	42.6	176.9	-64.7	169.1	-164.1	0	0	113.2	K699 R983	E697-K699 PolarHBondContact O-N 2.88Å; E697-K699 VanDerWaalsContact O-N 3.11Å; E697-R983 IonicContact OE1-NH1 3.52Å
698	Q	82.3	Confident	92.4	Very high	131 Å²	131	35.7 Å²	35.7	61%	0.612	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.5	8.1	-178.8	-48.4	175	7.7	0	0	115.4	V696 T809 A811	V696-Q698 PolarHBondContact O-N 2.77Å; V696-Q698 VanDerWaalsContact O-N 3.14Å; Q698-T809 HydrophobicContact CG-CG2 4.35Å; Q698-A811 WeakPolarHBondContact O-CB 3.27Å
699	K	88	Confident	92.3	Very high	90 Å²	90	35.7 Å²	35.7	39%	0.391	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	149.6	173.2	-68.9	179.2	165.9	-138.3	0	111.1	V695 V696 E697 Y701 E715	V695-K699 VanDerWaalsContact CA-O 3.26Å; V695-K699 WeakPolarHBondContact CA-O 3.29Å; V696-K699 PolarHBondContact N-O 3.25Å; V696-K699 PolarHBondContact O-N 3.03Å; E697-K699 PolarHBondContact O-N 2.88Å; E697-K699 VanDerWaalsContact O-N 3.11Å; K699-Y701 HydrophobicContact CB-CE2 3.63Å; K699-Y701 VanDerWaalsContact CD-OH 3.3Å; K699-Y701 WeakPolarHBondContact CD-OH 3.36Å; K699-E715 VanDerWaalsContact NZ-CD 3.3Å; K699-E715 IonicContact NZ-OE1 3.62Å; K699-E715 PolarHBondContact NZ-OE1 2.88Å; K699-E715 IonicContact NZ-OE2 3.92Å; K699-E715 PolarHBondContact NZ-OE2 2.76Å
700	C	91.1	Very high	92.1	Very high	3 Å²	3	34.8 Å²	34.8	2%	0.02	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	137.2	178.2	-65.9	0	0	0	0	110.2	V716	C700-V716 HydrophobicContact CB-CG2 3.87Å; C700-V716 PolarHBondContact O-N 3.48Å
701	Y	93.8	Very high	92	Very high	13 Å²	13	34.5 Å²	34.5	5%	0.051	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	145.8	176.5	-55	-91	0	0	0	110	F684 S693 V694 V696 K699 I711 A714 E715	F684-Y701 HydrophobicContact CD2-CG 4.49Å; F684-Y701 AromaticContact CE2-CD1 3.71Å; F684-Y701 HydrophobicContact CE2-CD1 3.71Å; F684-Y701 AromaticContact CE2-CD2 3.99Å; F684-Y701 HydrophobicContact CE2-CD2 3.99Å; F684-Y701 HydrophobicContact CE2-CE1 4.15Å; F684-Y701 HydrophobicContact CE2-CE2 4.39Å; F684-Y701 AromaticContact CE2-CG 3.63Å; F684-Y701 HydrophobicContact CE2-CG 3.63Å; F684-Y701 HydrophobicContact CZ-CD2 4.33Å; F684-Y701 HydrophobicContact CZ-CE2 4.48Å; F684-Y701 HydrophobicContact CZ-CG 4.42Å; S693-Y701 CarbonylContact C-O 3.51Å; S693-Y701 WeakPolarHBondContact CA-O 3.25Å; V694-Y701 HydrophobicContact CG1-CD2 4.34Å; V694-Y701 HydrophobicContact CG1-CG 4.48Å; V694-Y701 PolarHBondContact N-O 2.87Å; V694-Y701 PolarHBondContact O-N 3.03Å; V696-Y701 HydrophobicContact CB-CD2 4.38Å; V696-Y701 HydrophobicContact CB-CE2 3.98Å; K699-Y701 HydrophobicContact CB-CE2 3.63Å; K699-Y701 VanDerWaalsContact CD-OH 3.3Å; K699-Y701 WeakPolarHBondContact CD-OH 3.36Å; Y701-I711 HydrophobicContact CD1-CG2 4.23Å; Y701-I711 HydrophobicContact CE1-CG2 3.47Å; Y701-I711 VanDerWaalsContact CE1-CG2 3.47Å; Y701-I711 WeakPolarHBondContact CE1-O 3.26Å; Y701-A714 CarbonylContact C-O 3.44Å; Y701-A714 WeakPolarHBondContact CA-O 3.45Å; Y701-A714 HydrophobicContact CD1-CB 4.16Å; Y701-E715 VanDerWaalsContact CD1-CA 3.47Å; Y701-E715 HydrophobicContact CD1-CB 3.87Å; Y701-E715 HydrophobicContact CD1-CG 4.4Å; Y701-E715 HydrophobicContact CE1-CB 3.71Å; Y701-E715 HydrophobicContact CE1-CG 4Å
702	V	93.9	Very high	91.7	Very high	36 Å²	36	33.7 Å²	33.7	22%	0.218	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	113.8	167.9	177	0	0	0	0	108.2	D691 R692 A714 V716	D691-V702 HydrophobicContact CB-CG1 4.38Å; R692-V702 CarbonylContact O-C 3.6Å; R692-V702 WeakPolarHBondContact O-CA 3.48Å; V702-A714 PolarHBondContact N-O 3.11Å; V702-V716 HydrophobicContact CB-CG1 4.07Å; V702-V716 HydrophobicContact CG2-CB 4.5Å; V702-V716 HydrophobicContact CG2-CG1 3.88Å; V702-V716 HydrophobicContact CG2-CG2 3.85Å
703	V	95.8	Very high	91.5	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	116.4	-177.9	-170.7	0	0	0	0	108.7	F684 N686 D691 R692 V694 V709 A714 I981	F684-V703 HydrophobicContact CB-CG1 4.03Å; F684-V703 HydrophobicContact CB-CG2 3.87Å; F684-V703 HydrophobicContact CD2-CG2 3.86Å; F684-V703 HydrophobicContact CG-CG2 4.12Å; N686-V703 HydrophobicContact CB-CB 4.3Å; N686-V703 HydrophobicContact CB-CG1 3.56Å; N686-V703 PolarHBondContact ND2-O 2.81Å; D691-V703 WeakPolarHBondContact CA-O 3.5Å; R692-V703 PolarHBondContact N-O 3.4Å; R692-V703 PolarHBondContact O-N 3.08Å; V694-V703 HydrophobicContact CG1-CG2 4.28Å; V703-V709 HydrophobicContact CG1-CG1 3.76Å; V703-A714 HydrophobicContact CG2-CB 4.41Å; V703-I981 HydrophobicContact CB-CD1 3.78Å; V703-I981 HydrophobicContact CG1-CD1 3.92Å; V703-I981 HydrophobicContact CG2-CD1 3.95Å; V703-I981 HydrophobicContact CG2-CG1 4.48Å; V703-I981 HydrophobicContact CG2-CG2 4.47Å
704	P	95.8	Very high	91.5	Very high	15 Å²	15	35.5 Å²	35.5	10%	0.097	18%	0.181	C	C	.	.	P	Polyproline II helix	trans	-61.6	157.7	-175.1	-24.6	34.1	0	0	0	114.3	N686 D691 S707 K999	N686-P704 WeakPolarHBondContact CB-O 3.49Å; N686-P704 PolarHBondContact ND2-O 2.83Å; D691-P704 WeakPolarHBondContact OD1-CA 3.42Å; P704-S707 WeakPolarHBondContact CD-OG 3.4Å; P704-S707 WeakPolarHBondContact O-CB 3.45Å; P704-S707 PolarHBondContact O-OG 2.92Å; P704-K999 HydrophobicContact CB-CD 4.13Å; P704-K999 VanDerWaalsContact CB-CE 3.48Å; P704-K999 HydrophobicContact CB-CG 4.37Å
705	A	96	Very high	91.6	Very high	15 Å²	15	38 Å²	38	12%	0.124	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	142.1	172.4	0	0	0	0	0	112.8	L688 W690 D691 S707	L688-A705 WeakPolarHBondContact O-CA 3.31Å; W690-A705 WeakPolarHBondContact O-CA 3.27Å; D691-A705 PolarHBondContact OD1-N 3.02Å; A705-S707 VanDerWaalsContact C-N 3.28Å; A705-S707 PolarHBondContact O-N 2.73Å; A705-S707 VanDerWaalsContact O-N 3.15Å
706	F	96.7	Very high	91.6	Very high	1 Å²	1	39.3 Å²	39.3	0%	0.004	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	39.9	53.1	177.9	-63.3	-58.1	0	0	0	113.9	F614 N686 T687 L688 L1000 L1001 V1010 V1013	F614-F706 HydrophobicContact CD2-CD1 4.18Å; F614-F706 HydrophobicContact CE2-CB 3.93Å; F614-F706 AromaticContact CE2-CD1 3.64Å; F614-F706 HydrophobicContact CE2-CD1 3.64Å; F614-F706 HydrophobicContact CE2-CG 4.22Å; F614-F706 HydrophobicContact CZ-CB 4.17Å; F614-F706 HydrophobicContact CZ-CD1 4.49Å; N686-F706 CarbonylContact O-C 3.48Å; N686-F706 WeakPolarHBondContact O-CA 3.27Å; N686-F706 PolarHBondContact O-N 2.73Å; T687-F706 WeakPolarHBondContact O-CE1 3.24Å; L688-F706 PolarHBondContact O-N 2.94Å; F706-L1000 HydrophobicContact CB-CB 4.03Å; F706-L1000 WeakPolarHBondContact O-CB 3.29Å; F706-L1000 PolarHBondContact O-N 2.96Å; F706-L1001 HydrophobicContact CD2-CD1 3.47Å; F706-L1001 VanDerWaalsContact CD2-CD1 3.47Å; F706-L1001 HydrophobicContact CD2-CG 4.02Å; F706-L1001 HydrophobicContact CE2-CD1 3.64Å; F706-L1001 HydrophobicContact CG-CD1 4.39Å; F706-V1010 HydrophobicContact CE2-CB 4.33Å; F706-V1010 HydrophobicContact CE2-CG2 4.42Å; F706-V1010 HydrophobicContact CZ-CB 3.75Å; F706-V1010 HydrophobicContact CZ-CG1 4.09Å; F706-V1010 HydrophobicContact CZ-CG2 4.32Å; F706-V1013 HydrophobicContact CD1-CG2 4.44Å; F706-V1013 HydrophobicContact CE1-CG2 4.13Å
707	S	95.5	Very high	91.5	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	156.2	-169.8	77.4	0	0	0	0	115.4	M685 N686 P704 A705 L998	M685-S707 WeakPolarHBondContact CA-O 3.26Å; N686-S707 PolarHBondContact N-O 3.31Å; N686-S707 PolarHBondContact O-N 3.5Å; P704-S707 WeakPolarHBondContact CD-OG 3.4Å; P704-S707 WeakPolarHBondContact O-CB 3.45Å; P704-S707 PolarHBondContact O-OG 2.92Å; A705-S707 VanDerWaalsContact C-N 3.28Å; A705-S707 PolarHBondContact O-N 2.73Å; A705-S707 VanDerWaalsContact O-N 3.15Å; S707-L998 CarbonylContact C-O 3.48Å; S707-L998 WeakPolarHBondContact CA-O 3.43Å; S707-L998 VanDerWaalsContact CB-O 3.22Å; S707-L998 WeakPolarHBondContact CB-O 3.47Å
708	I	93.7	Very high	91	Very high	9 Å²	9	41.2 Å²	41.2	5%	0.046	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	121.7	162.9	-59	175.7	0	0	0	107	L615 V618 F683 F684 M685 I984 L998	L615-I708 HydrophobicContact CD1-CD1 3.81Å; V618-I708 HydrophobicContact CG1-CD1 4.04Å; F683-I708 HydrophobicContact CB-CG2 4.04Å; F683-I708 HydrophobicContact CD1-CG2 4.11Å; F683-I708 HydrophobicContact CG-CG2 4.38Å; F684-I708 WeakPolarHBondContact O-CA 3.28Å; M685-I708 HydrophobicContact CB-CG1 4.35Å; M685-I708 HydrophobicContact CG-CG1 3.98Å; M685-I708 HydrophobicContact SD-CG1 4.49Å; I708-I984 HydrophobicContact CD1-CD1 4.4Å; I708-I984 HydrophobicContact CG2-CD1 4.18Å; I708-L998 HydrophobicContact CB-CB 4.45Å; I708-L998 PolarHBondContact N-O 3.45Å; I708-L998 PolarHBondContact O-N 2.6Å
709	V	93.4	Very high	90.8	Very high	2 Å²	2	41 Å²	41	1%	0.012	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	144.1	-174	63.9	0	0	0	0	110.9	F683 F684 V703 Q713 A714 P997	F683-V709 CarbonylContact C-O 3.56Å; F683-V709 WeakPolarHBondContact CA-O 3.45Å; F684-V709 HydrophobicContact CB-CG1 4.19Å; F684-V709 PolarHBondContact N-O 2.95Å; F684-V709 PolarHBondContact O-N 3.45Å; V703-V709 HydrophobicContact CG1-CG1 3.76Å; V709-Q713 HydrophobicContact CG2-CB 3.84Å; V709-A714 HydrophobicContact CG1-CB 3.96Å; V709-A714 HydrophobicContact CG2-CB 4.42Å; V709-P997 HydrophobicContact CB-CB 4.14Å; V709-P997 HydrophobicContact CG2-CB 3.81Å; V709-P997 HydrophobicContact CG2-CG 3.75Å
710	A	92.3	Very high	90.7	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.008	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	141.7	173.3	0	0	0	0	0	110.5	F683 D712 Q713 A714 P990	F683-A710 HydrophobicContact CD1-CB 4.25Å; F683-A710 HydrophobicContact CE1-CB 4.17Å; A710-D712 VanDerWaalsContact C-N 3.27Å; A710-D712 VanDerWaalsContact CB-OD1 3.24Å; A710-D712 WeakPolarHBondContact CB-OD1 3.49Å; A710-D712 PolarHBondContact O-N 3.33Å; A710-Q713 HydrophobicContact CB-CB 4.47Å; A710-Q713 HydrophobicContact CB-CG 4.13Å; A710-Q713 WeakPolarHBondContact O-CB 3.43Å; A710-Q713 PolarHBondContact O-N 3.48Å; A710-A714 PolarHBondContact O-N 3.03Å; A710-P990 HydrophobicContact CB-CB 3.53Å; A710-P990 HydrophobicContact CB-CG 3.78Å
711	I	91.5	Very high	90.8	Very high	22 Å²	22	40.8 Å²	40.8	11%	0.113	22%	0.221	C	C	.	.	H	α-helix	trans	-58.4	-39.7	-174.4	-69.7	177.3	0	0	0	112.1	G681 R682 F684 Y701 Q713 A714 E715 R983	G681-I711 WeakPolarHBondContact O-CD1 3.34Å; R682-I711 PolarHBondContact O-N 2.72Å; F684-I711 HydrophobicContact CD1-CG1 4.27Å; F684-I711 HydrophobicContact CD2-CG1 3.86Å; F684-I711 HydrophobicContact CE1-CD1 4.12Å; F684-I711 HydrophobicContact CE1-CG1 4.16Å; F684-I711 HydrophobicContact CE2-CB 4.25Å; F684-I711 HydrophobicContact CE2-CD1 4.38Å; F684-I711 HydrophobicContact CE2-CG1 3.74Å; F684-I711 HydrophobicContact CE2-CG2 4Å; F684-I711 HydrophobicContact CG-CG1 4.13Å; F684-I711 HydrophobicContact CZ-CD1 4.04Å; F684-I711 HydrophobicContact CZ-CG1 3.9Å; F684-I711 HydrophobicContact CZ-CG2 4.32Å; Y701-I711 HydrophobicContact CD1-CG2 4.23Å; Y701-I711 HydrophobicContact CE1-CG2 3.47Å; Y701-I711 VanDerWaalsContact CE1-CG2 3.47Å; Y701-I711 WeakPolarHBondContact CE1-O 3.26Å; I711-Q713 VanDerWaalsContact C-N 3.26Å; I711-Q713 PolarHBondContact O-N 2.95Å; I711-A714 PolarHBondContact O-N 3.5Å; I711-E715 PolarHBondContact O-N 3.3Å; I711-R983 HydrophobicContact CD1-CG 4.02Å; I711-R983 VanDerWaalsContact CD1-NE 3.28Å
712	D	88.9	Confident	90.8	Very high	75 Å²	75	40.7 Å²	40.7	40%	0.401	22%	0.222	S	C	.	.	H	α-helix	trans	-67.6	-25.4	179.5	59.6	-16.8	0	0	0	113.3	A710 K991	A710-D712 VanDerWaalsContact C-N 3.27Å; A710-D712 VanDerWaalsContact CB-OD1 3.24Å; A710-D712 WeakPolarHBondContact CB-OD1 3.49Å; A710-D712 PolarHBondContact O-N 3.33Å; D712-K991 VanDerWaalsContact OD2-CE 3.26Å; D712-K991 WeakPolarHBondContact OD2-CE 3.09Å
713	Q	90.8	Very high	90.9	Very high	83 Å²	83	44 Å²	44	39%	0.388	24%	0.235	S	C	.	.	H	α-helix	trans	-82.9	-22.5	174.9	-63.5	177.7	-14.4	0	0	113.1	V709 A710 I711 L995	V709-Q713 HydrophobicContact CG2-CB 3.84Å; A710-Q713 HydrophobicContact CB-CB 4.47Å; A710-Q713 HydrophobicContact CB-CG 4.13Å; A710-Q713 WeakPolarHBondContact O-CB 3.43Å; A710-Q713 PolarHBondContact O-N 3.48Å; I711-Q713 VanDerWaalsContact C-N 3.26Å; I711-Q713 PolarHBondContact O-N 2.95Å; Q713-L995 PolarHBondContact NE2-O 3.34Å
714	A	92.4	Very high	90.9	Very high	2 Å²	2	44.9 Å²	44.9	2%	0.017	24%	0.242	C	C	.	.	H	α-helix	trans	-87.6	-15.5	178.3	0	0	0	0	0	112.7	F684 Y701 V702 V703 V709 A710 I711 V716	F684-A714 HydrophobicContact CD2-CB 4.19Å; Y701-A714 CarbonylContact C-O 3.44Å; Y701-A714 WeakPolarHBondContact CA-O 3.45Å; Y701-A714 HydrophobicContact CD1-CB 4.16Å; V702-A714 PolarHBondContact N-O 3.11Å; V703-A714 HydrophobicContact CG2-CB 4.41Å; V709-A714 HydrophobicContact CG1-CB 3.96Å; V709-A714 HydrophobicContact CG2-CB 4.42Å; A710-A714 PolarHBondContact O-N 3.03Å; I711-A714 PolarHBondContact O-N 3.5Å; A714-V716 PolarHBondContact O-N 2.82Å
715	E	92.4	Very high	90.8	Very high	87 Å²	87	49.8 Å²	49.8	41%	0.407	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	128.5	-176.8	-168	169.1	160.5	0	0	110.8	K699 Y701 I711	K699-E715 VanDerWaalsContact NZ-CD 3.3Å; K699-E715 IonicContact NZ-OE1 3.62Å; K699-E715 PolarHBondContact NZ-OE1 2.88Å; K699-E715 IonicContact NZ-OE2 3.92Å; K699-E715 PolarHBondContact NZ-OE2 2.76Å; Y701-E715 VanDerWaalsContact CD1-CA 3.47Å; Y701-E715 HydrophobicContact CD1-CB 3.87Å; Y701-E715 HydrophobicContact CD1-CG 4.4Å; Y701-E715 HydrophobicContact CE1-CB 3.71Å; Y701-E715 HydrophobicContact CE1-CG 4Å; I711-E715 PolarHBondContact O-N 3.3Å
716	V	90.5	Very high	90.7	Very high	51 Å²	51	54.4 Å²	54.4	31%	0.309	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	156.6	176.5	-62.4	0	0	0	0	110.3	C700 V702 A714	C700-V716 HydrophobicContact CB-CG2 3.87Å; C700-V716 PolarHBondContact O-N 3.48Å; V702-V716 HydrophobicContact CB-CG1 4.07Å; V702-V716 HydrophobicContact CG2-CB 4.5Å; V702-V716 HydrophobicContact CG2-CG1 3.88Å; V702-V716 HydrophobicContact CG2-CG2 3.85Å; A714-V716 PolarHBondContact O-N 2.82Å
717	K	83.8	Confident	90.5	Very high	176 Å²	176	56.9 Å²	56.9	77%	0.765	30%	0.297	S	S	*	.			trans	-65.8	138.5	170.3	-72	-172.9	178.4	-178	0	110.1	D719	K717-D719 VanDerWaalsContact C-N 3.26Å; K717-D719 WeakPolarHBondContact CB-OD1 3.38Å; K717-D719 PolarHBondContact O-N 2.85Å
718	A	72.4	Confident	90	Very high	53 Å²	53	63.4 Å²	63.4	44%	0.438	33%	0.332	S	S	.	.			trans	-75.9	82	171.4	0	0	0	0	0	108.8	D720	A718-D720 VanDerWaalsContact C-N 3.29Å
719	D	77.8	Confident	89.8	Confident	128 Å²	128	69.8 Å²	69.8	68%	0.684	37%	0.366	S	S	*	.			trans	-75.8	-23	177.4	-59	-24	0	0	0	111.8	K717	K717-D719 VanDerWaalsContact C-N 3.26Å; K717-D719 WeakPolarHBondContact CB-OD1 3.38Å; K717-D719 PolarHBondContact O-N 2.85Å
720	D	86	Confident	89.9	Confident	30 Å²	30	72.8 Å²	72.8	16%	0.16	38%	0.379	C	S	.	.	S	Bend	trans	-102.4	152.8	172.3	-56.5	-52.4	0	0	0	109.6	A718 K736 C835 R836	A718-D720 VanDerWaalsContact C-N 3.29Å; D720-K736 WeakPolarHBondContact OD1-CD 3.42Å; D720-K736 IonicContact OD1-NZ 3.98Å; D720-K736 PolarHBondContact OD1-NZ 2.94Å; D720-K736 IonicContact OD2-NZ 3.81Å; D720-C835 WeakPolarHBondContact O-CB 3.43Å; D720-R836 HydrophobicContact CB-CG 4.41Å
721	S	92.6	Very high	90.1	Very high	58 Å²	58	72.8 Å²	72.8	41%	0.406	38%	0.379	S	S	.	.			trans	-135.3	163.2	179.5	67.6	0	0	0	0	113.4	P810	S721-P810 CarbonylContact C-O 3.56Å; S721-P810 WeakPolarHBondContact CA-O 3.05Å
722	V	94.5	Very high	90.4	Very high	10 Å²	10	72.3 Å²	72.3	6%	0.061	38%	0.377	C	S	.	.			trans	-105.8	133.2	169.6	-174.8	0	0	0	0	109.3	K734 N735 P810 A813 L833 C835	V722-K734 CarbonylContact C-O 3.5Å; V722-K734 WeakPolarHBondContact CA-O 3.47Å; V722-N735 HydrophobicContact CG2-CB 4.31Å; V722-P810 PolarHBondContact N-O 2.55Å; V722-A813 HydrophobicContact CG1-CB 3.62Å; V722-L833 HydrophobicContact CG1-CB 4.27Å; V722-L833 HydrophobicContact CG1-CD2 3.97Å; V722-L833 HydrophobicContact CG1-CG 4.02Å; V722-L833 HydrophobicContact CG2-CG 4.4Å; V722-C835 HydrophobicContact CG2-CB 3.86Å
723	E	95.1	Very high	90.8	Very high	107 Å²	107	68.8 Å²	68.8	50%	0.5	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	133.7	167.6	-63.1	179.5	-164.9	0	0	109.3	L733 K734	E723-L733 WeakPolarHBondContact O-CA 3.45Å; E723-K734 HydrophobicContact CB-CB 4.4Å; E723-K734 PolarHBondContact N-O 3.07Å; E723-K734 PolarHBondContact O-N 3.21Å
724	A	96.1	Very high	91	Very high	17 Å²	17	67.8 Å²	67.8	14%	0.14	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	118	172.3	0	0	0	0	0	109.2	V732 L733 L805 A813	A724-V732 WeakPolarHBondContact CA-O 3.41Å; A724-L733 HydrophobicContact CB-CD2 3.56Å; A724-L805 HydrophobicContact CB-CD1 3.94Å; A724-L805 HydrophobicContact CB-CD2 4.17Å; A724-A813 HydrophobicContact CB-CB 3.65Å
725	K	94.4	Very high	91.1	Very high	119 Å²	119	68.2 Å²	68.2	52%	0.517	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	145.6	-179.9	66	-175.7	-179	-170.9	0	111.3	V732	K725-V732 HydrophobicContact CG-CB 4.27Å; K725-V732 PolarHBondContact N-O 2.98Å; K725-V732 PolarHBondContact O-N 3.23Å
726	F	94.4	Very high	91.2	Very high	111 Å²	111	69 Å²	69	49%	0.487	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	132.3	168.2	-75.8	-83	0	0	0	110.1	F730 L731 L805	F726-F730 CarbonylContact C-O 3.54Å; F726-F730 VanDerWaalsContact CA-O 3.29Å; F726-F730 WeakPolarHBondContact CA-O 3.41Å; F726-L731 HydrophobicContact CD1-CB 4.15Å; F726-L731 HydrophobicContact CD2-CD1 4.23Å; F726-L731 HydrophobicContact CE1-CB 3.87Å; F726-L731 HydrophobicContact CE1-CD1 4.4Å; F726-L731 HydrophobicContact CE2-CD1 4.11Å; F726-L731 HydrophobicContact CG-CD1 4.43Å; F726-L731 HydrophobicContact CZ-CB 4.33Å; F726-L731 HydrophobicContact CZ-CD1 4.21Å; F726-L805 HydrophobicContact CE2-CB 4.07Å
727	S	91.7	Very high	91.3	Very high	53 Å²	53	67.2 Å²	67.2	37%	0.371	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	127.7	174	-166.2	0	0	0	0	108.7	N729 F730	S727-N729 VanDerWaalsContact C-N 3.3Å; S727-N729 PolarHBondContact O-N 3.19Å; S727-N729 VanDerWaalsContact O-N 3.14Å; S727-F730 PolarHBondContact N-O 3.02Å; S727-F730 WeakPolarHBondContact O-CA 3.36Å; S727-F730 PolarHBondContact O-N 3.11Å; S727-F730 VanDerWaalsContact O-O 3.08Å
728	D	84.8	Confident	91.9	Very high	137 Å²	137	58.8 Å²	58.8	73%	0.733	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.3	41.8	174.2	-57.8	-41.7	0	0	0	115.7	F730	D728-F730 VanDerWaalsContact C-N 3.26Å; D728-F730 WeakPolarHBondContact O-CD2 3.31Å; D728-F730 WeakPolarHBondContact O-CE2 3.26Å; D728-F730 PolarHBondContact O-N 3.32Å
729	N	89.7	Confident	93	Very high	143 Å²	143	58 Å²	58	77%	0.765	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.8	5.4	-175.2	-49.5	-57.9	0	0	0	116.2	S727	S727-N729 VanDerWaalsContact C-N 3.3Å; S727-N729 PolarHBondContact O-N 3.19Å; S727-N729 VanDerWaalsContact O-N 3.14Å
730	F	95.8	Very high	93.9	Very high	66 Å²	66	52 Å²	52	29%	0.289	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	144.4	173.6	-56.1	-76.9	0	0	0	110.8	F726 S727 D728 E741 I742 D743 V749	F726-F730 CarbonylContact C-O 3.54Å; F726-F730 VanDerWaalsContact CA-O 3.29Å; F726-F730 WeakPolarHBondContact CA-O 3.41Å; S727-F730 PolarHBondContact N-O 3.02Å; S727-F730 WeakPolarHBondContact O-CA 3.36Å; S727-F730 PolarHBondContact O-N 3.11Å; S727-F730 VanDerWaalsContact O-O 3.08Å; D728-F730 VanDerWaalsContact C-N 3.26Å; D728-F730 WeakPolarHBondContact O-CD2 3.31Å; D728-F730 WeakPolarHBondContact O-CE2 3.26Å; D728-F730 PolarHBondContact O-N 3.32Å; F730-E741 HydrophobicContact CB-CB 4.3Å; F730-I742 CarbonylContact C-O 3.47Å; F730-I742 VanDerWaalsContact CA-O 3.26Å; F730-I742 WeakPolarHBondContact CA-O 3.44Å; F730-D743 HydrophobicContact CD1-CB 4.05Å; F730-D743 HydrophobicContact CE1-CB 3.96Å; F730-V749 HydrophobicContact CD1-CG2 3.68Å; F730-V749 HydrophobicContact CE1-CB 4.46Å; F730-V749 HydrophobicContact CE1-CG1 4.05Å; F730-V749 HydrophobicContact CE1-CG2 3.7Å; F730-V749 HydrophobicContact CG-CG2 4.43Å; F730-V749 HydrophobicContact CZ-CG2 4.45Å
731	L	97	Very high	94.5	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	117.8	163.5	177.5	66.4	0	0	0	108.4	F726 L733 E741 I742 L803 L805 A815	F726-L731 HydrophobicContact CD1-CB 4.15Å; F726-L731 HydrophobicContact CD2-CD1 4.23Å; F726-L731 HydrophobicContact CE1-CB 3.87Å; F726-L731 HydrophobicContact CE1-CD1 4.4Å; F726-L731 HydrophobicContact CE2-CD1 4.11Å; F726-L731 HydrophobicContact CG-CD1 4.43Å; F726-L731 HydrophobicContact CZ-CB 4.33Å; F726-L731 HydrophobicContact CZ-CD1 4.21Å; L731-L733 HydrophobicContact CD1-CD2 4.33Å; L731-L733 HydrophobicContact CD2-CD1 4.5Å; L731-L733 HydrophobicContact CD2-CD2 3.93Å; L731-L733 HydrophobicContact CD2-CG 4.16Å; L731-L733 HydrophobicContact CG-CD2 4.01Å; L731-L733 HydrophobicContact CG-CG 4.18Å; L731-E741 WeakPolarHBondContact O-CA 3.27Å; L731-I742 HydrophobicContact CB-CB 4.46Å; L731-I742 PolarHBondContact N-O 3.18Å; L731-I742 PolarHBondContact O-N 3.49Å; L731-L803 HydrophobicContact CB-CD2 3.74Å; L731-L803 HydrophobicContact CD2-CD2 3.8Å; L731-L803 HydrophobicContact CD2-CG 4.48Å; L731-L803 HydrophobicContact CG-CD2 4.44Å; L731-L805 HydrophobicContact CD1-CD1 4.25Å; L731-L805 HydrophobicContact CD2-CD1 4.32Å; L731-A815 HydrophobicContact CD2-CB 3.4Å
732	V	96.9	Very high	94.7	Very high	13 Å²	13	50.6 Å²	50.6	8%	0.079	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	118.9	172.3	-172.4	0	0	0	0	108.5	A724 K725 M740 E741	A724-V732 WeakPolarHBondContact CA-O 3.41Å; K725-V732 HydrophobicContact CG-CB 4.27Å; K725-V732 PolarHBondContact N-O 2.98Å; K725-V732 PolarHBondContact O-N 3.23Å; V732-M740 CarbonylContact C-O 3.54Å; V732-M740 WeakPolarHBondContact CA-O 3.37Å; V732-E741 HydrophobicContact CG2-CG 4.18Å
733	L	96.8	Very high	94.7	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	125.3	171.1	-63.1	-176.1	0	0	0	109.1	E723 A724 L731 M740 I742 A813 I831 L833	E723-L733 WeakPolarHBondContact O-CA 3.45Å; A724-L733 HydrophobicContact CB-CD2 3.56Å; L731-L733 HydrophobicContact CD1-CD2 4.33Å; L731-L733 HydrophobicContact CD2-CD1 4.5Å; L731-L733 HydrophobicContact CD2-CD2 3.93Å; L731-L733 HydrophobicContact CD2-CG 4.16Å; L731-L733 HydrophobicContact CG-CD2 4.01Å; L731-L733 HydrophobicContact CG-CG 4.18Å; L733-M740 PolarHBondContact N-O 2.91Å; L733-M740 PolarHBondContact O-N 2.93Å; L733-I742 HydrophobicContact CD1-CD1 3.73Å; L733-I742 HydrophobicContact CG-CD1 4.27Å; L733-A813 HydrophobicContact CD2-CB 4.01Å; L733-I831 HydrophobicContact CD1-CG2 4.17Å; L733-L833 HydrophobicContact CB-CD2 3.87Å; L733-L833 HydrophobicContact CD1-CB 4.44Å
734	K	96.1	Very high	94.5	Very high	63 Å²	63	50.5 Å²	50.5	27%	0.274	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	136.9	-176.9	-173.7	175.8	-167.9	146.9	0	111.9	V722 E723 V738 E739	V722-K734 CarbonylContact C-O 3.5Å; V722-K734 WeakPolarHBondContact CA-O 3.47Å; E723-K734 HydrophobicContact CB-CB 4.4Å; E723-K734 PolarHBondContact N-O 3.07Å; E723-K734 PolarHBondContact O-N 3.21Å; K734-V738 WeakPolarHBondContact CA-O 3.48Å; K734-E739 HydrophobicContact CB-CG 4.45Å; K734-E739 HydrophobicContact CD-CG 4.23Å; K734-E739 WeakPolarHBondContact CD-OE1 3.42Å; K734-E739 WeakPolarHBondContact CE-OE2 3.27Å; K734-E739 HydrophobicContact CG-CB 4.22Å; K734-E739 HydrophobicContact CG-CG 4.25Å; K734-E739 IonicContact NZ-OE1 2.69Å; K734-E739 PolarHBondContact NZ-OE1 2.63Å; K734-E739 IonicContact NZ-OE2 3.19Å; K734-E739 PolarHBondContact NZ-OE2 2.78Å
735	N	94.8	Very high	94.3	Very high	10 Å²	10	52.3 Å²	52.3	5%	0.053	25%	0.253	C	S	.	.			trans	-133.9	-163.8	162.2	73.6	8.5	0	0	0	109	V722 F737 V738 L833 R834 C837	V722-N735 HydrophobicContact CG2-CB 4.31Å; N735-F737 VanDerWaalsContact C-N 3.26Å; N735-F737 PolarHBondContact O-N 3.09Å; N735-F737 WeakPolarHBondContact OD1-CA 3.37Å; N735-F737 PolarHBondContact OD1-N 2.53Å; N735-V738 PolarHBondContact N-O 3.25Å; N735-V738 PolarHBondContact OD1-N 2.78Å; N735-L833 HydrophobicContact CB-CD2 4.23Å; N735-L833 HydrophobicContact CB-CG 4.45Å; N735-L833 VanDerWaalsContact ND2-CD1 3.34Å; N735-L833 WeakPolarHBondContact ND2-CD1 3.38Å; N735-R834 PolarHBondContact ND2-O 3.34Å; N735-C837 PolarHBondContact ND2-O 3.47Å
736	K	93.1	Very high	94.3	Very high	103 Å²	103	46.7 Å²	46.7	45%	0.448	23%	0.228	S	C	.	.	S	Bend	trans	-64.9	-24.8	179.1	-178.3	170.5	179.7	178.2	0	114.9	D720 P965	D720-K736 WeakPolarHBondContact OD1-CD 3.42Å; D720-K736 IonicContact OD1-NZ 3.98Å; D720-K736 PolarHBondContact OD1-NZ 2.94Å; D720-K736 IonicContact OD2-NZ 3.81Å; K736-P965 HydrophobicContact CG-CB 4.29Å; K736-P965 HydrophobicContact CG-CG 4.47Å
737	F	93.5	Very high	94.4	Very high	14 Å²	14	42.3 Å²	42.3	6%	0.061	21%	0.209	C	C	.	.	S	Bend	trans	-109.7	-30.3	-170.1	-40	-74.1	0	0	0	112.8	N735 P754 C835 C837 P838 P965	N735-F737 VanDerWaalsContact C-N 3.26Å; N735-F737 PolarHBondContact O-N 3.09Å; N735-F737 WeakPolarHBondContact OD1-CA 3.37Å; N735-F737 PolarHBondContact OD1-N 2.53Å; F737-P754 VanDerWaalsContact C-CD 3.45Å; F737-P754 WeakPolarHBondContact O-CD 3.47Å; F737-C835 WeakPolarHBondContact CE2-O 3.45Å; F737-C837 WeakPolarHBondContact CD2-O 3.39Å; F737-P838 HydrophobicContact CB-CB 4.03Å; F737-P838 HydrophobicContact CD2-CB 4.42Å; F737-P838 HydrophobicContact CG-CB 4.11Å; F737-P965 HydrophobicContact CD1-CB 4.06Å; F737-P965 HydrophobicContact CD1-CG 3.98Å; F737-P965 HydrophobicContact CE1-CB 4.14Å; F737-P965 WeakPolarHBondContact CE1-O 3.45Å
738	V	95.6	Very high	94.6	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.192	C	C	.	.			trans	-137.8	142.7	-174.3	83.4	0	0	0	0	111.7	K734 N735 L751 L833 V840 P954	K734-V738 WeakPolarHBondContact CA-O 3.48Å; N735-V738 PolarHBondContact N-O 3.25Å; N735-V738 PolarHBondContact OD1-N 2.78Å; V738-L751 HydrophobicContact CG2-CD1 3.51Å; V738-L833 HydrophobicContact CG1-CD1 3.6Å; V738-L833 HydrophobicContact CG1-CD2 3.97Å; V738-L833 HydrophobicContact CG1-CG 4.46Å; V738-V840 HydrophobicContact CG1-CG2 3.96Å; V738-V840 HydrophobicContact CG2-CG2 4.49Å; V738-P954 HydrophobicContact CB-CG 4.47Å; V738-P954 HydrophobicContact CG2-CG 3.54Å
739	E	96.6	Very high	95.2	Very high	37 Å²	37	35.3 Å²	35.3	17%	0.173	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	128.1	167.7	-176.4	163.1	-149.2	0	0	108.4	K734 F750 L751 A752 P754	K734-E739 HydrophobicContact CB-CG 4.45Å; K734-E739 HydrophobicContact CD-CG 4.23Å; K734-E739 WeakPolarHBondContact CD-OE1 3.42Å; K734-E739 WeakPolarHBondContact CE-OE2 3.27Å; K734-E739 HydrophobicContact CG-CB 4.22Å; K734-E739 HydrophobicContact CG-CG 4.25Å; K734-E739 IonicContact NZ-OE1 2.69Å; K734-E739 PolarHBondContact NZ-OE1 2.63Å; K734-E739 IonicContact NZ-OE2 3.19Å; K734-E739 PolarHBondContact NZ-OE2 2.78Å; E739-F750 HydrophobicContact CB-CE1 4.35Å; E739-F750 HydrophobicContact CG-CE1 3.99Å; E739-L751 CarbonylContact O-C 3.57Å; E739-L751 WeakPolarHBondContact O-CA 3.42Å; E739-A752 PolarHBondContact N-O 3.49Å; E739-A752 PolarHBondContact O-N 3.05Å; E739-P754 HydrophobicContact CB-CG 4.16Å
740	M	97.1	Very high	95.6	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	136.2	-173.3	-178.2	-178	-77	0	0	110.4	V732 L733 I742 I748 F750 L751 V840 F842 L952	V732-M740 CarbonylContact C-O 3.54Å; V732-M740 WeakPolarHBondContact CA-O 3.37Å; L733-M740 PolarHBondContact N-O 2.91Å; L733-M740 PolarHBondContact O-N 2.93Å; M740-I742 HydrophobicContact CG-CD1 4.34Å; M740-I742 HydrophobicContact CG-CG1 3.88Å; M740-I742 HydrophobicContact SD-CD1 3.82Å; M740-I742 HydrophobicContact SD-CG1 3.91Å; M740-I748 HydrophobicContact CE-CD1 3.82Å; M740-I748 HydrophobicContact CE-CG1 4.31Å; M740-I748 HydrophobicContact CE-CG2 4.28Å; M740-I748 HydrophobicContact CG-CG2 3.74Å; M740-I748 HydrophobicContact SD-CD1 4.12Å; M740-I748 HydrophobicContact SD-CG1 4Å; M740-I748 HydrophobicContact SD-CG2 4.23Å; M740-F750 VanDerWaalsContact CA-O 3.29Å; M740-F750 WeakPolarHBondContact CA-O 3.22Å; M740-L751 HydrophobicContact CB-CD1 4.37Å; M740-L751 HydrophobicContact CE-CD1 3.68Å; M740-V840 HydrophobicContact CE-CB 3.82Å; M740-V840 HydrophobicContact CE-CG1 4.09Å; M740-V840 HydrophobicContact CE-CG2 3.42Å; M740-V840 VanDerWaalsContact CE-CG2 3.42Å; M740-V840 HydrophobicContact SD-CB 4.48Å; M740-V840 HydrophobicContact SD-CG1 4.12Å; M740-V840 HydrophobicContact SD-CG2 4.15Å; M740-F842 HydrophobicContact CE-CZ 4.19Å; M740-L952 HydrophobicContact CE-CD2 4.4Å
741	E	97.1	Very high	95.6	Very high	59 Å²	59	27.2 Å²	27.2	28%	0.276	13%	0.127	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	131.6	170.4	-52.8	-177.7	165	0	0	110.3	F730 L731 V732 V749 F750	F730-E741 HydrophobicContact CB-CB 4.3Å; L731-E741 WeakPolarHBondContact O-CA 3.27Å; V732-E741 HydrophobicContact CG2-CG 4.18Å; E741-V749 HydrophobicContact CB-CG2 3.89Å; E741-V749 PolarHBondContact O-N 2.86Å; E741-F750 HydrophobicContact CB-CB 3.76Å; E741-F750 HydrophobicContact CG-CB 3.76Å; E741-F750 HydrophobicContact CG-CD1 4.04Å; E741-F750 HydrophobicContact CG-CG 4.17Å; E741-F750 PolarHBondContact N-O 3.21Å; E741-F750 PolarHBondContact O-N 3.4Å
742	I	97.3	Very high	95.6	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	129.6	-172	-45.7	175.2	0	0	0	109.1	F730 L731 L733 M740 H747 L803 I831	F730-I742 CarbonylContact C-O 3.47Å; F730-I742 VanDerWaalsContact CA-O 3.26Å; F730-I742 WeakPolarHBondContact CA-O 3.44Å; L731-I742 HydrophobicContact CB-CB 4.46Å; L731-I742 PolarHBondContact N-O 3.18Å; L731-I742 PolarHBondContact O-N 3.49Å; L733-I742 HydrophobicContact CD1-CD1 3.73Å; L733-I742 HydrophobicContact CG-CD1 4.27Å; M740-I742 HydrophobicContact CG-CD1 4.34Å; M740-I742 HydrophobicContact CG-CG1 3.88Å; M740-I742 HydrophobicContact SD-CD1 3.82Å; M740-I742 HydrophobicContact SD-CG1 3.91Å; I742-H747 CarbonylContact C-O 3.57Å; I742-H747 VanDerWaalsContact CA-O 3.29Å; I742-H747 WeakPolarHBondContact CA-O 3.44Å; I742-H747 WeakPolarHBondContact CG2-O 3.34Å; I742-L803 HydrophobicContact CB-CD2 3.97Å; I742-L803 HydrophobicContact CG2-CD2 3.73Å; I742-I831 HydrophobicContact CD1-CD1 3.78Å; I742-I831 HydrophobicContact CD1-CG2 3.93Å; I742-I831 HydrophobicContact CG2-CD1 4.1Å
743	D	94.8	Very high	95.4	Very high	26 Å²	26	27.6 Å²	27.6	14%	0.139	13%	0.129	C	C	.	.			trans	-73.4	172.8	174.7	79.5	8.2	0	0	0	112.1	F730 H745 G746 H747 L803	F730-D743 HydrophobicContact CD1-CB 4.05Å; F730-D743 HydrophobicContact CE1-CB 3.96Å; D743-H745 PolarHBondContact O-N 3.1Å; D743-H745 VanDerWaalsContact O-N 3.09Å; D743-H745 VanDerWaalsContact OD1-CA 3.27Å; D743-H745 WeakPolarHBondContact OD1-CA 3.36Å; D743-H745 WeakPolarHBondContact OD1-CB 3.42Å; D743-H745 PolarHBondContact OD1-N 3.36Å; D743-G746 PolarHBondContact O-N 3.43Å; D743-G746 VanDerWaalsContact O-N 3.09Å; D743-G746 PolarHBondContact OD1-N 3.03Å; D743-H747 PolarHBondContact N-O 3.49Å; D743-H747 IonicContact OD1-CG 3.99Å; D743-H747 PolarHBondContact OD1-N 3.3Å; D743-H747 IonicContact OD1-ND1 3.34Å; D743-H747 IonicContact OD2-CG 2.87Å; D743-H747 IonicContact OD2-ND1 3.32Å; D743-H747 PolarHBondContact OD2-ND1 2.78Å; D743-L803 WeakPolarHBondContact O-CD2 3.29Å
744	K	91.3	Very high	95.2	Very high	90 Å²	90	28.5 Å²	28.5	39%	0.391	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-12.4	178.8	69.9	-173.4	-165.9	143.1	0	115	E802 L803	K744-E802 HydrophobicContact CB-CB 4.43Å; K744-E802 WeakPolarHBondContact CD-OE1 3.45Å; K744-E802 WeakPolarHBondContact CE-OE1 3.31Å; K744-E802 IonicContact NZ-OE1 3.26Å; K744-E802 PolarHBondContact NZ-OE1 2.84Å; K744-E802 CarbonylContact O-C 3.55Å; K744-E802 WeakPolarHBondContact O-CA 3.31Å; K744-L803 PolarHBondContact O-N 3.35Å
745	H	91	Very high	94.7	Very high	55 Å²	55	31.4 Å²	31.4	26%	0.255	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-0.4	178.9	-56.3	-59.3	0	0	0	112.4	D743 V799 F817	D743-H745 PolarHBondContact O-N 3.1Å; D743-H745 VanDerWaalsContact O-N 3.09Å; D743-H745 VanDerWaalsContact OD1-CA 3.27Å; D743-H745 WeakPolarHBondContact OD1-CA 3.36Å; D743-H745 WeakPolarHBondContact OD1-CB 3.42Å; D743-H745 PolarHBondContact OD1-N 3.36Å; H745-V799 HydrophobicContact CB-CG2 4.02Å; H745-V799 WeakPolarHBondContact ND1-CG2 3.44Å; H745-F817 WeakPolarHBondContact O-CD2 3.4Å; H745-F817 WeakPolarHBondContact O-CE2 3.42Å
746	G	94.2	Very high	93.9	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.183	C	C	.	.	S	Bend	trans	87.5	6.8	-179	0	0	0	0	0	114.2	D743 N768	D743-G746 PolarHBondContact O-N 3.43Å; D743-G746 VanDerWaalsContact O-N 3.09Å; D743-G746 PolarHBondContact OD1-N 3.03Å; G746-N768 PolarHBondContact O-ND2 2.85Å
747	H	96.3	Very high	93.5	Very high	19 Å²	19	32.4 Å²	32.4	9%	0.088	18%	0.178	C	C	.	.			trans	-81.3	144.2	176	-48.5	123.8	0	0	0	111.4	I742 D743 P766 A767	I742-H747 CarbonylContact C-O 3.57Å; I742-H747 VanDerWaalsContact CA-O 3.29Å; I742-H747 WeakPolarHBondContact CA-O 3.44Å; I742-H747 WeakPolarHBondContact CG2-O 3.34Å; D743-H747 PolarHBondContact N-O 3.49Å; D743-H747 IonicContact OD1-CG 3.99Å; D743-H747 PolarHBondContact OD1-N 3.3Å; D743-H747 IonicContact OD1-ND1 3.34Å; D743-H747 IonicContact OD2-CG 2.87Å; D743-H747 IonicContact OD2-ND1 3.32Å; D743-H747 PolarHBondContact OD2-ND1 2.78Å; H747-P766 HydrophobicContact CB-CB 3.79Å; H747-P766 HydrophobicContact CB-CG 4.02Å; H747-A767 WeakPolarHBondContact CA-O 3.27Å
748	I	97.6	Very high	93.5	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	115.9	180	-53.4	162.7	0	0	0	108.2	M740 F750 L751 I761 P766 A767 N768 F842 L952	M740-I748 HydrophobicContact CE-CD1 3.82Å; M740-I748 HydrophobicContact CE-CG1 4.31Å; M740-I748 HydrophobicContact CE-CG2 4.28Å; M740-I748 HydrophobicContact CG-CG2 3.74Å; M740-I748 HydrophobicContact SD-CD1 4.12Å; M740-I748 HydrophobicContact SD-CG1 4Å; M740-I748 HydrophobicContact SD-CG2 4.23Å; I748-F750 VanDerWaalsContact CG2-O 3.31Å; I748-F750 WeakPolarHBondContact CG2-O 3.29Å; I748-L751 HydrophobicContact CG2-CB 4.4Å; I748-I761 HydrophobicContact CG2-CD1 4.14Å; I748-I761 HydrophobicContact CG2-CG1 4.03Å; I748-P766 CarbonylContact O-C 3.54Å; I748-P766 VanDerWaalsContact O-CA 3.24Å; I748-P766 WeakPolarHBondContact O-CA 3.35Å; I748-P766 VanDerWaalsContact O-CB 3.29Å; I748-P766 WeakPolarHBondContact O-CB 3.29Å; I748-A767 HydrophobicContact CB-CB 4.2Å; I748-A767 HydrophobicContact CD1-CB 4.48Å; I748-A767 PolarHBondContact N-O 2.83Å; I748-A767 PolarHBondContact O-N 3.16Å; I748-N768 HydrophobicContact CD1-CB 3.77Å; I748-N768 HydrophobicContact CG1-CB 3.93Å; I748-F842 HydrophobicContact CD1-CE1 4.03Å; I748-F842 HydrophobicContact CD1-CZ 3.66Å; I748-L952 HydrophobicContact CD1-CD2 3.84Å
749	V	96.8	Very high	93.5	Very high	44 Å²	44	38.7 Å²	38.7	27%	0.267	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	-21.4	179	-63.3	0	0	0	0	112.4	F730 E741 N759 P766	F730-V749 HydrophobicContact CD1-CG2 3.68Å; F730-V749 HydrophobicContact CE1-CB 4.46Å; F730-V749 HydrophobicContact CE1-CG1 4.05Å; F730-V749 HydrophobicContact CE1-CG2 3.7Å; F730-V749 HydrophobicContact CG-CG2 4.43Å; F730-V749 HydrophobicContact CZ-CG2 4.45Å; E741-V749 HydrophobicContact CB-CG2 3.89Å; E741-V749 PolarHBondContact O-N 2.86Å; V749-N759 PolarHBondContact O-ND2 3.05Å; V749-N759 VanDerWaalsContact O-ND2 3.15Å; V749-P766 HydrophobicContact CG1-CB 4.04Å
750	F	96.9	Very high	93.5	Very high	38 Å²	38	37.1 Å²	37.1	17%	0.167	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	135.2	179.4	-177.7	-90.5	0	0	0	110.3	E739 M740 E741 I748 A752 N759	E739-F750 HydrophobicContact CB-CE1 4.35Å; E739-F750 HydrophobicContact CG-CE1 3.99Å; M740-F750 VanDerWaalsContact CA-O 3.29Å; M740-F750 WeakPolarHBondContact CA-O 3.22Å; E741-F750 HydrophobicContact CB-CB 3.76Å; E741-F750 HydrophobicContact CG-CB 3.76Å; E741-F750 HydrophobicContact CG-CD1 4.04Å; E741-F750 HydrophobicContact CG-CG 4.17Å; E741-F750 PolarHBondContact N-O 3.21Å; E741-F750 PolarHBondContact O-N 3.4Å; I748-F750 VanDerWaalsContact CG2-O 3.31Å; I748-F750 WeakPolarHBondContact CG2-O 3.29Å; F750-A752 HydrophobicContact CD1-CB 4.47Å; F750-A752 HydrophobicContact CE1-CB 3.5Å; F750-A752 HydrophobicContact CE2-CB 4.42Å; F750-A752 HydrophobicContact CZ-CB 3.47Å; F750-A752 VanDerWaalsContact CZ-CB 3.47Å; F750-N759 WeakPolarHBondContact CA-OD1 3.28Å; F750-N759 HydrophobicContact CD2-CB 3.7Å; F750-N759 VanDerWaalsContact CD2-CG 3.46Å; F750-N759 HydrophobicContact CE2-CB 3.74Å
751	L	97.4	Very high	93.6	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	123.2	171.8	-179.9	69.2	0	0	0	108.3	V738 E739 M740 I748 N759 L760 I761 V909 L952 P954	V738-L751 HydrophobicContact CG2-CD1 3.51Å; E739-L751 CarbonylContact O-C 3.57Å; E739-L751 WeakPolarHBondContact O-CA 3.42Å; M740-L751 HydrophobicContact CB-CD1 4.37Å; M740-L751 HydrophobicContact CE-CD1 3.68Å; I748-L751 HydrophobicContact CG2-CB 4.4Å; L751-N759 PolarHBondContact N-OD1 3.09Å; L751-N759 CarbonylContact O-C 3.49Å; L751-N759 WeakPolarHBondContact O-CA 3.29Å; L751-N759 PolarHBondContact O-OD1 3.17Å; L751-L760 WeakPolarHBondContact O-CB 3.34Å; L751-L760 PolarHBondContact O-N 3.33Å; L751-I761 HydrophobicContact CB-CD1 3.66Å; L751-I761 HydrophobicContact CB-CG1 3.66Å; L751-I761 HydrophobicContact CD2-CD1 4.2Å; L751-V909 HydrophobicContact CD2-CG1 4.33Å; L751-V909 HydrophobicContact CD2-CG2 4.25Å; L751-L952 HydrophobicContact CD2-CD2 3.67Å; L751-L952 HydrophobicContact CD2-CG 4.15Å; L751-P954 HydrophobicContact CD1-CG 4.07Å; L751-P954 HydrophobicContact CD2-CB 4.18Å; L751-P954 HydrophobicContact CD2-CG 4.26Å; L751-P954 HydrophobicContact CG-CB 4.37Å; L751-P954 HydrophobicContact CG-CG 4.19Å
752	A	96	Very high	93.6	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	159.6	178	0	0	0	0	0	112.4	E739 F750 P754 R758	E739-A752 PolarHBondContact N-O 3.49Å; E739-A752 PolarHBondContact O-N 3.05Å; F750-A752 HydrophobicContact CD1-CB 4.47Å; F750-A752 HydrophobicContact CE1-CB 3.5Å; F750-A752 HydrophobicContact CE2-CB 4.42Å; F750-A752 HydrophobicContact CZ-CB 3.47Å; F750-A752 VanDerWaalsContact CZ-CB 3.47Å; A752-P754 WeakPolarHBondContact O-CD 3.42Å; A752-R758 VanDerWaalsContact CB-O 3.27Å; A752-R758 WeakPolarHBondContact CB-O 3.34Å
753	L	94	Very high	93.4	Very high	21 Å²	21	38.9 Å²	38.9	11%	0.11	22%	0.222	C	C	.	.			trans	-94	112.7	168.6	-69.1	156.6	0	0	0	108.4	D756 L760 P954 H955 R956	L753-D756 PolarHBondContact O-N 3.46Å; L753-D756 VanDerWaalsContact O-N 3.12Å; L753-L760 HydrophobicContact CD1-CD1 4.22Å; L753-L760 HydrophobicContact CG-CD1 4.46Å; L753-P954 HydrophobicContact CD1-CB 4.29Å; L753-P954 HydrophobicContact CD2-CB 3.92Å; L753-P954 HydrophobicContact CD2-CG 3.99Å; L753-P954 HydrophobicContact CG-CB 3.93Å; L753-P954 HydrophobicContact CG-CG 4.35Å; L753-H955 WeakPolarHBondContact CD1-O 3.3Å; L753-R956 HydrophobicContact CD1-CG 3.81Å
754	P	91.5	Very high	93.3	Very high	19 Å²	19	45.7 Å²	45.7	12%	0.123	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	147.2	171.6	-22.5	35.2	0	0	0	111.2	F737 E739 A752 R956	F737-P754 VanDerWaalsContact C-CD 3.45Å; F737-P754 WeakPolarHBondContact O-CD 3.47Å; E739-P754 HydrophobicContact CB-CG 4.16Å; A752-P754 WeakPolarHBondContact O-CD 3.42Å; P754-R956 PolarHBondContact O-NH2 3.16Å
755	P	85.8	Confident	93.5	Very high	124 Å²	124	47.2 Å²	47.2	81%	0.805	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	cis	-88.4	-0.3	-2.8	36.2	-35.5	0	0	0	114.7	G757	P755-G757 VanDerWaalsContact C-N 3.3Å; P755-G757 PolarHBondContact O-N 3.15Å
756	D	78.7	Confident	93.8	Very high	101 Å²	101	45.9 Å²	45.9	54%	0.54	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-33.3	-166.5	-57.7	14.4	0	0	0	113.6	L753 R758 R956	L753-D756 PolarHBondContact O-N 3.46Å; L753-D756 VanDerWaalsContact O-N 3.12Å; D756-R758 PolarHBondContact O-N 3.01Å; D756-R758 VanDerWaalsContact O-N 3.14Å; D756-R956 IonicContact OD1-CZ 3.95Å; D756-R956 IonicContact OD1-NH1 2.83Å; D756-R956 PolarHBondContact OD1-NH1 3.39Å; D756-R956 IonicContact OD1-NH2 2.97Å; D756-R956 PolarHBondContact OD1-NH2 2.76Å; D756-R956 IonicContact OD2-CZ 3.53Å; D756-R956 IonicContact OD2-NH1 2.95Å; D756-R956 PolarHBondContact OD2-NH1 3.4Å; D756-R956 IonicContact OD2-NH2 3.19Å; D756-R956 PolarHBondContact OD2-NH2 3.01Å
757	G	83.5	Confident	94	Very high	34 Å²	34	45.9 Å²	45.9	35%	0.351	26%	0.262	S	S	.	.			trans	68.4	6.4	177.4	0	0	0	0	0	115.5	P755 N759	P755-G757 VanDerWaalsContact C-N 3.3Å; P755-G757 PolarHBondContact O-N 3.15Å; G757-N759 PolarHBondContact O-N 2.82Å
758	R	93.7	Very high	94	Very high	94 Å²	94	45 Å²	45	36%	0.355	26%	0.258	S	S	.	.			trans	-60.3	118.3	172.3	177.3	-178.3	172.4	-174.5	-3	108.8	A752 D756 L760 S862 E904 D906 S907	A752-R758 VanDerWaalsContact CB-O 3.27Å; A752-R758 WeakPolarHBondContact CB-O 3.34Å; D756-R758 PolarHBondContact O-N 3.01Å; D756-R758 VanDerWaalsContact O-N 3.14Å; R758-L760 HydrophobicContact CG-CD2 4.39Å; R758-L760 PolarHBondContact O-N 3.08Å; R758-S862 PolarHBondContact NH2-O 3.48Å; R758-S862 VanDerWaalsContact NH2-O 3.07Å; R758-E904 IonicContact CZ-OE2 2.81Å; R758-E904 VanDerWaalsContact CZ-OE2 3.3Å; R758-E904 IonicContact NH1-OE2 2.81Å; R758-E904 PolarHBondContact NH1-OE2 3.06Å; R758-E904 IonicContact NH2-OE1 2.74Å; R758-E904 PolarHBondContact NH2-OE1 3.47Å; R758-E904 IonicContact NH2-OE2 3.74Å; R758-E904 PolarHBondContact NH2-OE2 2.79Å; R758-D906 IonicContact NH1-OD1 2.84Å; R758-D906 IonicContact NH1-OD2 3.2Å; R758-S907 PolarHBondContact NH1-OG 2.89Å
759	N	96.2	Very high	94	Very high	52 Å²	52	46.2 Å²	46.2	28%	0.278	26%	0.263	S	S	.	.			trans	-69.8	124.1	172.7	-167.6	3.3	0	0	0	109.7	V749 F750 L751 G757 I761	V749-N759 PolarHBondContact O-ND2 3.05Å; V749-N759 VanDerWaalsContact O-ND2 3.15Å; F750-N759 WeakPolarHBondContact CA-OD1 3.28Å; F750-N759 HydrophobicContact CD2-CB 3.7Å; F750-N759 VanDerWaalsContact CD2-CG 3.46Å; F750-N759 HydrophobicContact CE2-CB 3.74Å; L751-N759 PolarHBondContact N-OD1 3.09Å; L751-N759 CarbonylContact O-C 3.49Å; L751-N759 WeakPolarHBondContact O-CA 3.29Å; L751-N759 PolarHBondContact O-OD1 3.17Å; G757-N759 PolarHBondContact O-N 2.82Å; N759-I761 WeakPolarHBondContact OD1-CB 3.38Å; N759-I761 PolarHBondContact OD1-N 3.45Å
760	L	97.1	Very high	94.1	Very high	3 Å²	3	44.1 Å²	44.1	2%	0.016	25%	0.251	C	S	.	.			trans	-95.8	-0.9	178.7	-60.2	175.3	0	0	0	112.2	L751 L753 R758 L861 S862 L863 V909 P954	L751-L760 WeakPolarHBondContact O-CB 3.34Å; L751-L760 PolarHBondContact O-N 3.33Å; L753-L760 HydrophobicContact CD1-CD1 4.22Å; L753-L760 HydrophobicContact CG-CD1 4.46Å; R758-L760 HydrophobicContact CG-CD2 4.39Å; R758-L760 PolarHBondContact O-N 3.08Å; L760-L861 CarbonylContact O-C 3.51Å; L760-L861 VanDerWaalsContact O-CA 3.29Å; L760-L861 WeakPolarHBondContact O-CA 3.34Å; L760-S862 PolarHBondContact O-N 2.92Å; L760-L863 HydrophobicContact CD2-CD2 4.16Å; L760-V909 HydrophobicContact CB-CG2 3.96Å; L760-V909 HydrophobicContact CD1-CG2 3.82Å; L760-V909 HydrophobicContact CG-CG2 4.45Å; L760-P954 HydrophobicContact CD1-CB 3.64Å
761	I	98	Very high	94.1	Very high	4 Å²	4	42.3 Å²	42.3	2%	0.021	24%	0.243	C	C	.	.	B	Isolated β-bridge	trans	-89.4	140.2	171.4	-54.9	-50.6	0	0	0	110	I748 L751 N759 A767 L861 S862	I748-I761 HydrophobicContact CG2-CD1 4.14Å; I748-I761 HydrophobicContact CG2-CG1 4.03Å; L751-I761 HydrophobicContact CB-CD1 3.66Å; L751-I761 HydrophobicContact CB-CG1 3.66Å; L751-I761 HydrophobicContact CD2-CD1 4.2Å; N759-I761 WeakPolarHBondContact OD1-CB 3.38Å; N759-I761 PolarHBondContact OD1-N 3.45Å; I761-A767 HydrophobicContact CD1-CB 3.72Å; I761-A767 HydrophobicContact CG2-CB 4.43Å; I761-L861 HydrophobicContact CD1-CD2 4.35Å; I761-S862 WeakPolarHBondContact O-CB 3.28Å
762	A	97.3	Very high	94.1	Very high	11 Å²	11	43.1 Å²	43.1	9%	0.091	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-63.7	141.2	178.1	0	0	0	0	0	111.9	D764 K765 P860	A762-D764 PolarHBondContact O-N 3.43Å; A762-K765 HydrophobicContact CB-CB 4.16Å; A762-K765 PolarHBondContact O-N 3.5Å; A762-P860 HydrophobicContact CB-CB 3.94Å; A762-P860 PolarHBondContact N-O 3.12Å
763	A	94.4	Very high	94.2	Very high	81 Å²	81	43.7 Å²	43.7	67%	0.669	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.5	135.5	174.8	0	0	0	0	0	111.2	K765	A763-K765 PolarHBondContact O-N 3.4Å
764	D	92.2	Very high	94.4	Very high	169 Å²	169	46 Å²	46	90%	0.904	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	57	14	178.9	-52.1	-48.3	0	0	0	115.6	A762	A762-D764 PolarHBondContact O-N 3.43Å
765	K	95.1	Very high	94.7	Very high	122 Å²	122	45.1 Å²	45.1	53%	0.53	26%	0.256	S	S	.	.			trans	-137	87.9	179.7	-66.4	-178.8	-176.1	177.5	0	109.1	A762 A763 P860	A762-K765 HydrophobicContact CB-CB 4.16Å; A762-K765 PolarHBondContact O-N 3.5Å; A763-K765 PolarHBondContact O-N 3.4Å; K765-P860 HydrophobicContact CB-CB 3.77Å; K765-P860 HydrophobicContact CB-CG 4.07Å; K765-P860 HydrophobicContact CD-CB 4.48Å
766	P	96.7	Very high	95.2	Very high	28 Å²	28	43.4 Å²	43.4	18%	0.182	24%	0.243	C	C	.	.			trans	-67.2	155.2	-177.7	32.2	-37.2	0	0	0	110.7	H747 I748 V749 Q769 P860	H747-P766 HydrophobicContact CB-CB 3.79Å; H747-P766 HydrophobicContact CB-CG 4.02Å; I748-P766 CarbonylContact O-C 3.54Å; I748-P766 VanDerWaalsContact O-CA 3.24Å; I748-P766 WeakPolarHBondContact O-CA 3.35Å; I748-P766 VanDerWaalsContact O-CB 3.29Å; I748-P766 WeakPolarHBondContact O-CB 3.29Å; V749-P766 HydrophobicContact CG1-CB 4.04Å; P766-Q769 HydrophobicContact CG-CG 4.47Å; P766-Q769 VanDerWaalsContact O-CG 3.26Å; P766-Q769 WeakPolarHBondContact O-CG 3.48Å; P766-Q769 PolarHBondContact O-NE2 3.27Å; P766-P860 WeakPolarHBondContact O-CD 3.49Å
767	A	98.1	Very high	95.9	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.224	C	C	.	.	B	Isolated β-bridge	trans	-91.5	175.8	176.2	0	0	0	0	0	111.9	H747 I748 I761 Q769 F859	H747-A767 WeakPolarHBondContact CA-O 3.27Å; I748-A767 HydrophobicContact CB-CB 4.2Å; I748-A767 HydrophobicContact CD1-CB 4.48Å; I748-A767 PolarHBondContact N-O 2.83Å; I748-A767 PolarHBondContact O-N 3.16Å; I761-A767 HydrophobicContact CD1-CB 3.72Å; I761-A767 HydrophobicContact CG2-CB 4.43Å; A767-Q769 VanDerWaalsContact C-N 3.29Å; A767-F859 HydrophobicContact CB-CB 4.25Å; A767-F859 HydrophobicContact CB-CD1 4.03Å
768	N	97.9	Very high	96.3	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.005	23%	0.232	C	C	.	.	S	Bend	trans	61.4	37.3	-172.3	-164.4	42.9	0	0	0	112.4	G746 I748 Q829 E858 F859 Y950	G746-N768 PolarHBondContact O-ND2 2.85Å; I748-N768 HydrophobicContact CD1-CB 3.77Å; I748-N768 HydrophobicContact CG1-CB 3.93Å; N768-Q829 PolarHBondContact ND2-OE1 3.44Å; N768-E858 PolarHBondContact N-O 3.39Å; N768-F859 HydrophobicContact CB-CE1 4.43Å; N768-Y950 PolarHBondContact OD1-OH 3.06Å
769	Q	97.1	Very high	96.1	Very high	24 Å²	24	44.2 Å²	44.2	11%	0.112	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	121.6	177.5	-71.9	-176.9	-19.9	0	0	110.6	P766 A767 L795 V857 E858	P766-Q769 HydrophobicContact CG-CG 4.47Å; P766-Q769 VanDerWaalsContact O-CG 3.26Å; P766-Q769 WeakPolarHBondContact O-CG 3.48Å; P766-Q769 PolarHBondContact O-NE2 3.27Å; A767-Q769 VanDerWaalsContact C-N 3.29Å; Q769-L795 HydrophobicContact CB-CD1 3.97Å; Q769-L795 HydrophobicContact CG-CD1 4.25Å; Q769-V857 CarbonylContact O-C 3.58Å; Q769-V857 VanDerWaalsContact O-CA 3.31Å; Q769-V857 WeakPolarHBondContact O-CA 3.48Å; Q769-E858 HydrophobicContact CB-CB 4.32Å; Q769-E858 PolarHBondContact N-O 2.91Å; Q769-E858 VanDerWaalsContact N-O 3.14Å; Q769-E858 PolarHBondContact O-N 3.5Å
770	F	97.9	Very high	96.1	Very high	1 Å²	1	45 Å²	45	0%	0.004	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	127.1	172.8	-67.8	-75.1	0	0	0	111	V796 F817 M819 L827 T844 L855 K856 V857 L930 Y950	F770-V796 HydrophobicContact CB-CB 4Å; F770-V796 HydrophobicContact CB-CG2 4Å; F770-V796 WeakPolarHBondContact O-CB 3.45Å; F770-V796 WeakPolarHBondContact O-CG2 3.42Å; F770-V796 PolarHBondContact O-N 3.5Å; F770-F817 HydrophobicContact CE2-CE2 4.3Å; F770-F817 HydrophobicContact CE2-CZ 4.03Å; F770-M819 HydrophobicContact CD2-SD 3.85Å; F770-M819 HydrophobicContact CE2-SD 4.43Å; F770-L827 HydrophobicContact CD1-CD1 3.69Å; F770-L827 HydrophobicContact CD2-CD1 4.17Å; F770-L827 HydrophobicContact CD2-CD2 4.3Å; F770-L827 HydrophobicContact CE1-CD1 3.49Å; F770-L827 VanDerWaalsContact CE1-CD1 3.49Å; F770-L827 HydrophobicContact CE2-CD1 3.99Å; F770-L827 HydrophobicContact CE2-CD2 3.79Å; F770-L827 HydrophobicContact CG-CD1 4.01Å; F770-L827 HydrophobicContact CZ-CD1 3.63Å; F770-L827 HydrophobicContact CZ-CD2 3.97Å; F770-L827 HydrophobicContact CZ-CG 4.43Å; F770-T844 HydrophobicContact CZ-CG2 4.43Å; F770-L855 HydrophobicContact CB-CD1 4.45Å; F770-L855 HydrophobicContact CD1-CD1 4.5Å; F770-K856 WeakPolarHBondContact CA-O 3.37Å; F770-V857 HydrophobicContact CD1-CB 4.13Å; F770-V857 HydrophobicContact CD1-CG2 4.44Å; F770-V857 HydrophobicContact CE1-CB 4.11Å; F770-V857 HydrophobicContact CE1-CG2 4.31Å; F770-L930 HydrophobicContact CD1-CD1 3.97Å; F770-L930 HydrophobicContact CE1-CD1 3.7Å; F770-Y950 WeakPolarHBondContact CZ-OH 3.29Å
771	T	97.6	Very high	96	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	143.3	-179.5	53.2	0	0	0	0	111.3	Y773 R793 S794 L795 L855 K856 E858	T771-Y773 VanDerWaalsContact OG1-CE2 3.27Å; T771-Y773 WeakPolarHBondContact OG1-CE2 3.21Å; T771-R793 HydrophobicContact CG2-CG 4.3Å; T771-S794 CarbonylContact C-O 3.55Å; T771-S794 VanDerWaalsContact CA-O 3.29Å; T771-S794 WeakPolarHBondContact CA-O 3.08Å; T771-L795 HydrophobicContact CG2-CD1 4.02Å; T771-L855 WeakPolarHBondContact O-CA 3.36Å; T771-K856 PolarHBondContact N-O 2.87Å; T771-K856 PolarHBondContact O-N 2.92Å; T771-E858 WeakPolarHBondContact CB-OE1 3.41Å; T771-E858 HydrophobicContact CG2-CG 4.34Å; T771-E858 WeakPolarHBondContact CG2-OE1 3.46Å; T771-E858 PolarHBondContact OG1-OE1 2.77Å
772	V	97.9	Very high	96	Very high	16 Å²	16	45.7 Å²	45.7	10%	0.097	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	136.8	176	179.4	0	0	0	0	108.9	S794 V796 I821 K853 M854 L855	V772-S794 PolarHBondContact N-O 3.45Å; V772-S794 PolarHBondContact O-N 3.44Å; V772-V796 HydrophobicContact CG2-CG2 3.82Å; V772-I821 HydrophobicContact CG2-CG2 3.4Å; V772-I821 VanDerWaalsContact CG2-CG2 3.4Å; V772-K853 HydrophobicContact CG1-CB 3.89Å; V772-K853 HydrophobicContact CG1-CD 3.85Å; V772-K853 HydrophobicContact CG1-CG 4.01Å; V772-M854 WeakPolarHBondContact CA-O 3.31Å; V772-L855 HydrophobicContact CG2-CD1 3.97Å
773	Y	98.1	Very high	96.1	Very high	13 Å²	13	45.6 Å²	45.6	5%	0.051	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	149.3	176.4	-60.8	-97.7	0	0	0	109.5	T771 H789 L790 R793 K853 M854 K856 E858	T771-Y773 VanDerWaalsContact OG1-CE2 3.27Å; T771-Y773 WeakPolarHBondContact OG1-CE2 3.21Å; Y773-H789 WeakPolarHBondContact CD1-O 3.42Å; Y773-H789 AromaticContact CG-CD2 3.97Å; Y773-L790 HydrophobicContact CE1-CD2 4.09Å; Y773-R793 HydrophobicContact CD1-CB 4.05Å; Y773-R793 HydrophobicContact CE1-CB 3.49Å; Y773-R793 VanDerWaalsContact CE1-CB 3.49Å; Y773-R793 HydrophobicContact CE1-CG 3.8Å; Y773-K853 CarbonylContact O-C 3.56Å; Y773-K853 VanDerWaalsContact O-CA 3.27Å; Y773-K853 WeakPolarHBondContact O-CA 3.46Å; Y773-M854 PolarHBondContact N-O 3.29Å; Y773-M854 PolarHBondContact O-N 3.04Å; Y773-K856 HydrophobicContact CD2-CD 4.23Å; Y773-K856 HydrophobicContact CD2-CG 4.04Å; Y773-K856 HydrophobicContact CE2-CB 4.11Å; Y773-K856 HydrophobicContact CE2-CD 3.92Å; Y773-K856 HydrophobicContact CE2-CG 3.92Å; Y773-E858 PolarHBondContact OH-OE1 3.06Å
774	D	97.5	Very high	96.2	Very high	69 Å²	69	41.8 Å²	41.8	37%	0.369	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	128.6	166.7	-64	-12.9	0	0	0	109.1	H789 T792 K853	D774-H789 WeakPolarHBondContact O-CB 3.23Å; D774-T792 HydrophobicContact CB-CG2 3.92Å; D774-T792 WeakPolarHBondContact CB-OG1 3.13Å; D774-T792 PolarHBondContact N-OG1 2.77Å; D774-K853 IonicContact OD1-NZ 3.82Å; D774-K853 PolarHBondContact OD1-NZ 2.76Å
775	D	97.2	Very high	96.4	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.005	17%	0.165	C	C	.	.			trans	-122.1	78.5	-173.4	-173.8	23.8	0	0	0	109.4	H852 M854 R932	D775-H852 PolarHBondContact N-O 2.69Å; D775-H852 WeakPolarHBondContact O-CB 3.36Å; D775-M854 HydrophobicContact CB-CB 4.14Å; D775-R932 VanDerWaalsContact CG-CZ 3.45Å; D775-R932 IonicContact OD1-CZ 2.88Å; D775-R932 IonicContact OD1-NH1 3.35Å; D775-R932 PolarHBondContact OD1-NH1 2.71Å; D775-R932 IonicContact OD1-NH2 3.3Å; D775-R932 PolarHBondContact OD1-NH2 2.78Å; D775-R932 IonicContact OD2-CZ 3.81Å; D775-R932 IonicContact OD2-NE 3.87Å; D775-R932 PolarHBondContact OD2-NE 3.06Å; D775-R932 IonicContact OD2-NH1 3.94Å; D775-R932 PolarHBondContact OD2-NH1 3.19Å; D775-R932 IonicContact OD2-NH2 2.77Å; D775-R932 PolarHBondContact OD2-NH2 3.16Å
776	V	95.9	Very high	96.4	Very high	87 Å²	87	28.9 Å²	28.9	53%	0.527	14%	0.144	S	C	.	.			trans	-125.6	93.2	-179.7	-176.1	0	0	0	0	107.9	Y788 H852	V776-Y788 WeakPolarHBondContact O-CE2 3.38Å; V776-Y788 PolarHBondContact O-OH 3.47Å; V776-H852 HydrophobicContact CG2-CB 3.96Å
777	P	95	Very high	96.3	Very high	22 Å²	22	31.6 Å²	31.6	14%	0.143	16%	0.157	C	C	.	.			trans	-78.8	174.7	-175.5	30.4	-33.5	0	0	0	113.3	D784 M786 Y788	P777-D784 HydrophobicContact CB-CB 3.53Å; P777-D784 WeakPolarHBondContact CB-O 3.36Å; P777-D784 HydrophobicContact CG-CB 4.21Å; P777-M786 HydrophobicContact CB-CG 4.05Å; P777-Y788 WeakPolarHBondContact CA-OH 3.44Å
778	L	91.2	Very high	96.1	Very high	96 Å²	96	35.4 Å²	35.4	50%	0.503	17%	0.172	S	C	.	.	S	Bend	trans	-74.9	-40.7	-179.2	-70.1	178	0	0	0	113.8	M786 Y788	L778-M786 HydrophobicContact CB-SD 4.38Å; L778-M786 HydrophobicContact CD1-CE 3.55Å; L778-M786 HydrophobicContact CD1-SD 4.19Å; L778-M786 HydrophobicContact CG-CE 4.04Å; L778-M786 HydrophobicContact CG-CG 4.09Å; L778-M786 HydrophobicContact CG-SD 4.14Å; L778-Y788 HydrophobicContact CD2-CE1 4.21Å; L778-Y788 HydrophobicContact CG-CE1 4.22Å; L778-Y788 PolarHBondContact N-OH 2.97Å
779	Y	90.3	Very high	96.1	Very high	128 Å²	128	35.4 Å²	35.4	50%	0.502	17%	0.172	S	C	.	.	S	Bend	trans	-123.9	-59.7	-166.4	-50.4	-71	0	0	0	112.4	M587	M587-Y779 HydrophobicContact CE-CD2 3.3Å; M587-Y779 HydrophobicContact CE-CE2 3.67Å; M587-Y779 HydrophobicContact CE-CG 4.26Å
780	W	95.2	Very high	96	Very high	68 Å²	68	36.4 Å²	36.4	26%	0.258	18%	0.178	S	C	.	.			trans	-126.7	110.3	-168.2	-63.2	-73.4	0	0	0	112	I230 W468 M587 H588 W783 D784	I230-W780 HydrophobicContact CD1-CG 4.46Å; W468-W780 AromaticContact CE3-CH2 3.97Å; W468-W780 HydrophobicContact CE3-CH2 3.97Å; W468-W780 HydrophobicContact CE3-CZ3 4.04Å; W468-W780 HydrophobicContact CH2-CH2 4.24Å; W468-W780 AromaticContact CZ3-CH2 3.38Å; W468-W780 HydrophobicContact CZ3-CH2 3.38Å; W468-W780 AromaticContact CZ3-CZ2 3.97Å; W468-W780 HydrophobicContact CZ3-CZ2 3.97Å; W468-W780 AromaticContact CZ3-CZ3 3.77Å; W468-W780 HydrophobicContact CZ3-CZ3 3.77Å; M587-W780 HydrophobicContact CE-CE3 3.73Å; M587-W780 HydrophobicContact CE-CH2 4.35Å; M587-W780 HydrophobicContact CE-CZ3 3.25Å; M587-W780 HydrophobicContact SD-CZ3 3.87Å; H588-W780 AromaticContact NE2-CE3 3.67Å; W780-W783 HydrophobicContact CB-CB 3.8Å; W780-W783 HydrophobicContact CB-CD2 3.99Å; W780-W783 HydrophobicContact CB-CE3 3.75Å; W780-W783 HydrophobicContact CB-CG 4.08Å; W780-W783 HydrophobicContact CG-CE3 4.5Å; W780-W783 PolarHBondContact O-N 3.34Å; W780-D784 PolarHBondContact N-OD2 2.77Å; W780-D784 WeakPolarHBondContact O-CB 3.39Å; W780-D784 PolarHBondContact O-N 2.83Å
781	D	96	Very high	96	Very high	21 Å²	21	44.6 Å²	44.6	11%	0.112	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-58.3	-170.6	-173.2	9.9	0	0	0	114.5	W783 H852 R932 S934 K935 S936	D781-W783 VanDerWaalsContact C-N 3.27Å; D781-W783 PolarHBondContact O-N 3.31Å; D781-H852 IonicContact OD1-CD2 2.82Å; D781-H852 IonicContact OD2-CD2 3.1Å; D781-H852 IonicContact OD2-NE2 3.97Å; D781-R932 PolarHBondContact O-NH2 3.38Å; D781-S934 WeakPolarHBondContact OD1-CA 3.33Å; D781-S934 VanDerWaalsContact OD1-CB 3.22Å; D781-S934 WeakPolarHBondContact OD1-CB 3.26Å; D781-K935 WeakPolarHBondContact OD2-CA 3.18Å; D781-K935 PolarHBondContact OD2-N 3.21Å; D781-S936 PolarHBondContact OD2-N 3.18Å
782	A	97.9	Very high	96	Very high	2 Å²	2	46.9 Å²	46.9	2%	0.017	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-24.5	178.2	0	0	0	0	0	114.4	T594 T651 S936	T594-A782 HydrophobicContact CG2-CB 4.18Å; T594-A782 PolarHBondContact OG1-O 2.97Å; T651-A782 HydrophobicContact CG2-CB 4.44Å; A782-S936 WeakPolarHBondContact CB-O 3.5Å; A782-S936 PolarHBondContact N-O 3.06Å
783	W	98.1	Very high	95.9	Very high	8 Å²	8	51.1 Å²	51.1	3%	0.03	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88	-50.3	-174.2	-70.8	-107.3	0	0	0	112.3	I230 W334 F443 H588 N589 G590 T591 T651 W780 D781 P937	I230-W783 HydrophobicContact CB-CZ3 4.47Å; I230-W783 HydrophobicContact CG2-CH2 4.19Å; I230-W783 HydrophobicContact CG2-CZ3 4.36Å; W334-W783 AromaticContact CE2-CZ2 3.88Å; W334-W783 HydrophobicContact CZ2-CH2 4.29Å; W334-W783 HydrophobicContact CZ2-CZ2 4.03Å; W334-W783 AromaticContact NE1-CH2 3.41Å; W334-W783 AromaticContact NE1-CZ2 3.19Å; F443-W783 AromaticContact CE2-CD1 3.75Å; F443-W783 AromaticContact CE2-NE1 3.68Å; F443-W783 AromaticContact CZ-CD1 3.87Å; F443-W783 AromaticContact CZ-NE1 3.55Å; H588-W783 CarbonylContact C-O 3.43Å; H588-W783 WeakPolarHBondContact CA-O 3.08Å; H588-W783 HydrophobicContact CB-CB 4.14Å; H588-W783 AromaticContact CD2-CD1 3.78Å; H588-W783 AromaticContact CD2-CG 3.98Å; H588-W783 AromaticContact CE1-CD1 3.63Å; H588-W783 AromaticContact CG-CD1 3.67Å; H588-W783 AromaticContact ND1-CD1 3.57Å; H588-W783 AromaticContact NE2-CD1 3.8Å; H588-W783 VanDerWaalsContact O-O 3.12Å; N589-W783 PolarHBondContact N-O 3.09Å; G590-W783 CarbonylContact C-O 3.49Å; G590-W783 WeakPolarHBondContact CA-O 3.22Å; G590-W783 PolarHBondContact N-O 2.81Å; T591-W783 HydrophobicContact CG2-CB 4.39Å; T591-W783 PolarHBondContact N-O 3.37Å; T651-W783 VanDerWaalsContact CB-CZ2 3.4Å; T651-W783 HydrophobicContact CG2-CB 4.37Å; T651-W783 VanDerWaalsContact CG2-CD1 3.44Å; T651-W783 HydrophobicContact CG2-CD2 3.43Å; T651-W783 VanDerWaalsContact CG2-CD2 3.43Å; T651-W783 VanDerWaalsContact CG2-CE2 3.45Å; T651-W783 HydrophobicContact CG2-CE3 4.11Å; T651-W783 HydrophobicContact CG2-CG 3.5Å; T651-W783 VanDerWaalsContact CG2-CG 3.5Å; T651-W783 HydrophobicContact CG2-CZ2 4.14Å; T651-W783 VanDerWaalsContact O-CH2 3.24Å; T651-W783 WeakPolarHBondContact O-CH2 3.5Å; T651-W783 WeakPolarHBondContact O-CZ2 3.4Å; W780-W783 HydrophobicContact CB-CB 3.8Å; W780-W783 HydrophobicContact CB-CD2 3.99Å; W780-W783 HydrophobicContact CB-CE3 3.75Å; W780-W783 HydrophobicContact CB-CG 4.08Å; W780-W783 HydrophobicContact CG-CE3 4.5Å; W780-W783 PolarHBondContact O-N 3.34Å; D781-W783 VanDerWaalsContact C-N 3.27Å; D781-W783 PolarHBondContact O-N 3.31Å; W783-P937 HydrophobicContact CH2-CG 3.91Å; W783-P937 HydrophobicContact CZ3-CG 4Å
784	D	97.4	Very high	95.8	Very high	2 Å²	2	53.9 Å²	53.9	1%	0.011	27%	0.266	C	S	.	.			trans	-97.1	141.3	-162.9	-72.7	-39.8	0	0	0	112.6	M587 H588 P777 W780 M786 R932	M587-D784 WeakPolarHBondContact CG-OD1 3.25Å; H588-D784 WeakPolarHBondContact CA-OD1 3.48Å; H588-D784 IonicContact CD2-OD1 3.61Å; H588-D784 PolarHBondContact CD2-OD1 3.43Å; H588-D784 PolarHBondContact N-OD1 3.07Å; P777-D784 HydrophobicContact CB-CB 3.53Å; P777-D784 WeakPolarHBondContact CB-O 3.36Å; P777-D784 HydrophobicContact CG-CB 4.21Å; W780-D784 PolarHBondContact N-OD2 2.77Å; W780-D784 WeakPolarHBondContact O-CB 3.39Å; W780-D784 PolarHBondContact O-N 2.83Å; D784-M786 HydrophobicContact CB-SD 4.5Å; D784-R932 PolarHBondContact O-NH1 2.91Å; D784-R932 PolarHBondContact O-NH2 2.85Å
785	V	95.7	Very high	95.7	Very high	1 Å²	1	54.1 Å²	54.1	1%	0.006	27%	0.267	C	S	.	.			trans	-123.6	130.5	157	62.2	0	0	0	0	107.2	N589 H789 M854 Y892 E893 R932	N589-V785 HydrophobicContact CB-CG1 3.63Å; V785-H789 HydrophobicContact CG2-CB 4.28Å; V785-H789 WeakPolarHBondContact CG2-ND1 3.29Å; V785-M854 HydrophobicContact CG2-SD 4.1Å; V785-Y892 HydrophobicContact CG1-CE2 4.09Å; V785-Y892 WeakPolarHBondContact O-CE2 3.31Å; V785-Y892 PolarHBondContact O-OH 3.42Å; V785-E893 HydrophobicContact CG1-CB 4.19Å; V785-E893 HydrophobicContact CG1-CG 4.27Å; V785-R932 VanDerWaalsContact CB-NH1 3.34Å
786	M	95	Very high	95.6	Very high	18 Å²	18	54.4 Å²	54.4	9%	0.089	27%	0.268	C	S	.	.			trans	-99.8	147.2	-177.3	-59.2	-57.3	-52	0	0	110.7	P777 L778 D784 Y788 H789	P777-M786 HydrophobicContact CB-CG 4.05Å; L778-M786 HydrophobicContact CB-SD 4.38Å; L778-M786 HydrophobicContact CD1-CE 3.55Å; L778-M786 HydrophobicContact CD1-SD 4.19Å; L778-M786 HydrophobicContact CG-CE 4.04Å; L778-M786 HydrophobicContact CG-CG 4.09Å; L778-M786 HydrophobicContact CG-SD 4.14Å; D784-M786 HydrophobicContact CB-SD 4.5Å; M786-Y788 HydrophobicContact CB-CD1 3.64Å; M786-Y788 HydrophobicContact CB-CD2 4.29Å; M786-Y788 HydrophobicContact CB-CE1 3.21Å; M786-Y788 HydrophobicContact CB-CE2 3.9Å; M786-Y788 HydrophobicContact CB-CG 4.17Å; M786-Y788 HydrophobicContact CG-CE1 3.63Å; M786-Y788 HydrophobicContact CG-CE2 4.5Å; M786-Y788 WeakPolarHBondContact CG-OH 3.5Å; M786-Y788 PolarHBondContact O-N 2.98Å; M786-Y788 VanDerWaalsContact O-N 3.16Å; M786-H789 WeakPolarHBondContact O-CB 3.42Å; M786-H789 PolarHBondContact O-N 2.97Å; M786-H789 PolarHBondContact O-ND1 2.91Å
787	D	94.3	Very high	95.1	Very high	85 Å²	85	52.9 Å²	52.9	46%	0.455	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-52	-37.5	-178.2	61	-18.9	0	0	0	114.3	H789 L790 Y892	D787-H789 PolarHBondContact O-N 3.34Å; D787-H789 VanDerWaalsContact O-N 3.11Å; D787-L790 WeakPolarHBondContact O-CB 3.48Å; D787-L790 WeakPolarHBondContact O-CG 3.4Å; D787-L790 PolarHBondContact O-N 3.13Å; D787-Y892 HydrophobicContact CB-CD1 3.83Å; D787-Y892 HydrophobicContact CB-CE1 3.83Å; D787-Y892 HydrophobicContact CB-CE2 4.47Å; D787-Y892 HydrophobicContact CB-CG 4.2Å
788	Y	95.3	Very high	94.8	Very high	80 Å²	80	56 Å²	56	31%	0.314	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-61.6	-16.4	177.6	60.3	-110.4	0	0	0	114.4	V776 P777 L778 M786 L790 E791	V776-Y788 WeakPolarHBondContact O-CE2 3.38Å; V776-Y788 PolarHBondContact O-OH 3.47Å; P777-Y788 WeakPolarHBondContact CA-OH 3.44Å; L778-Y788 HydrophobicContact CD2-CE1 4.21Å; L778-Y788 HydrophobicContact CG-CE1 4.22Å; L778-Y788 PolarHBondContact N-OH 2.97Å; M786-Y788 HydrophobicContact CB-CD1 3.64Å; M786-Y788 HydrophobicContact CB-CD2 4.29Å; M786-Y788 HydrophobicContact CB-CE1 3.21Å; M786-Y788 HydrophobicContact CB-CE2 3.9Å; M786-Y788 HydrophobicContact CB-CG 4.17Å; M786-Y788 HydrophobicContact CG-CE1 3.63Å; M786-Y788 HydrophobicContact CG-CE2 4.5Å; M786-Y788 WeakPolarHBondContact CG-OH 3.5Å; M786-Y788 PolarHBondContact O-N 2.98Å; M786-Y788 VanDerWaalsContact O-N 3.16Å; Y788-L790 PolarHBondContact O-N 2.99Å; Y788-L790 VanDerWaalsContact O-N 3.13Å; Y788-E791 WeakPolarHBondContact O-CB 3.49Å; Y788-E791 PolarHBondContact O-N 2.77Å
789	H	96.8	Very high	94.6	Very high	2 Å²	2	53.1 Å²	53.1	1%	0.009	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-55.1	-33.7	174.1	81.8	-77.2	0	0	0	110.9	Y773 D774 V785 M786 D787 E791 T792 K856	Y773-H789 WeakPolarHBondContact CD1-O 3.42Å; Y773-H789 AromaticContact CG-CD2 3.97Å; D774-H789 WeakPolarHBondContact O-CB 3.23Å; V785-H789 HydrophobicContact CG2-CB 4.28Å; V785-H789 WeakPolarHBondContact CG2-ND1 3.29Å; M786-H789 WeakPolarHBondContact O-CB 3.42Å; M786-H789 PolarHBondContact O-N 2.97Å; M786-H789 PolarHBondContact O-ND1 2.91Å; D787-H789 PolarHBondContact O-N 3.34Å; D787-H789 VanDerWaalsContact O-N 3.11Å; H789-E791 PolarHBondContact O-N 3.31Å; H789-E791 VanDerWaalsContact O-N 3.12Å; H789-T792 PolarHBondContact O-N 2.99Å; H789-T792 PolarHBondContact O-OG1 2.88Å; H789-K856 PolarHBondContact NE2-NZ 2.77Å
790	L	96.2	Very high	94.6	Very high	45 Å²	45	50.5 Å²	50.5	24%	0.236	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-61.8	-21.4	-178.8	-62.4	176.2	0	0	0	113.6	Y773 D787 Y788 T792	Y773-L790 HydrophobicContact CE1-CD2 4.09Å; D787-L790 WeakPolarHBondContact O-CB 3.48Å; D787-L790 WeakPolarHBondContact O-CG 3.4Å; D787-L790 PolarHBondContact O-N 3.13Å; Y788-L790 PolarHBondContact O-N 2.99Å; Y788-L790 VanDerWaalsContact O-N 3.13Å; L790-T792 PolarHBondContact O-N 3.01Å
791	E	97	Very high	94.4	Very high	172 Å²	172	49.5 Å²	49.5	80%	0.804	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	-75.6	-13.6	177.9	-59.2	-179	-170.4	0	0	112.8	Y788 H789	Y788-E791 WeakPolarHBondContact O-CB 3.49Å; Y788-E791 PolarHBondContact O-N 2.77Å; H789-E791 PolarHBondContact O-N 3.31Å; H789-E791 VanDerWaalsContact O-N 3.12Å
792	T	97.5	Very high	94.3	Very high	48 Å²	48	53.2 Å²	53.2	29%	0.294	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-101.6	13.7	-175.9	68	0	0	0	0	113.5	D774 H789 L790 S794	D774-T792 HydrophobicContact CB-CG2 3.92Å; D774-T792 WeakPolarHBondContact CB-OG1 3.13Å; D774-T792 PolarHBondContact N-OG1 2.77Å; H789-T792 PolarHBondContact O-N 2.99Å; H789-T792 PolarHBondContact O-OG1 2.88Å; L790-T792 PolarHBondContact O-N 3.01Å; T792-S794 PolarHBondContact O-N 3.37Å
793	R	96.7	Very high	94.1	Very high	105 Å²	105	53.6 Å²	53.6	40%	0.396	29%	0.286	S	S	.	.			trans	-50.3	120.7	-178.8	-175.2	-178.9	177.7	-80.8	4.9	111.9	T771 Y773 E858	T771-R793 HydrophobicContact CG2-CG 4.3Å; Y773-R793 HydrophobicContact CD1-CB 4.05Å; Y773-R793 HydrophobicContact CE1-CB 3.49Å; Y773-R793 VanDerWaalsContact CE1-CB 3.49Å; Y773-R793 HydrophobicContact CE1-CG 3.8Å; R793-E858 IonicContact CZ-OE1 3.69Å; R793-E858 IonicContact CZ-OE2 3.83Å; R793-E858 IonicContact NE-OE1 3.05Å; R793-E858 PolarHBondContact NE-OE1 2.92Å; R793-E858 IonicContact NE-OE2 2.86Å; R793-E858 PolarHBondContact NE-OE2 3.43Å; R793-E858 VanDerWaalsContact NE-OE2 3.09Å; R793-E858 IonicContact NH2-OE1 3.21Å; R793-E858 IonicContact NH2-OE2 3.01Å; R793-E858 PolarHBondContact NH2-OE2 3.15Å
794	S	96.5	Very high	94	Very high	72 Å²	72	56.6 Å²	56.6	50%	0.503	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	130.1	170.8	-176	0	0	0	0	110.7	T771 V772 T792	T771-S794 CarbonylContact C-O 3.55Å; T771-S794 VanDerWaalsContact CA-O 3.29Å; T771-S794 WeakPolarHBondContact CA-O 3.08Å; V772-S794 PolarHBondContact N-O 3.45Å; V772-S794 PolarHBondContact O-N 3.44Å; T792-S794 PolarHBondContact O-N 3.37Å
795	L	95.7	Very high	93.9	Very high	74 Å²	74	59.1 Å²	59.1	39%	0.387	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	135	174.7	-173.8	70.3	0	0	0	109.9	Q769 T771 G797	Q769-L795 HydrophobicContact CB-CD1 3.97Å; Q769-L795 HydrophobicContact CG-CD1 4.25Å; T771-L795 HydrophobicContact CG2-CD1 4.02Å; L795-G797 PolarHBondContact O-N 3.2Å
796	V	94.9	Very high	93.8	Very high	6 Å²	6	62.5 Å²	62.5	4%	0.036	34%	0.34	C	S	.	.			trans	-77	111.5	167.8	-177	0	0	0	0	107.5	F770 V772 M819 R820 I821	F770-V796 HydrophobicContact CB-CB 4Å; F770-V796 HydrophobicContact CB-CG2 4Å; F770-V796 WeakPolarHBondContact O-CB 3.45Å; F770-V796 WeakPolarHBondContact O-CG2 3.42Å; F770-V796 PolarHBondContact O-N 3.5Å; V772-V796 HydrophobicContact CG2-CG2 3.82Å; V796-M819 HydrophobicContact CB-CE 4.18Å; V796-M819 HydrophobicContact CG1-CB 4.26Å; V796-M819 HydrophobicContact CG1-CE 3.78Å; V796-M819 HydrophobicContact CG1-SD 4.37Å; V796-M819 WeakPolarHBondContact O-CE 3.24Å; V796-R820 VanDerWaalsContact CG1-O 3.24Å; V796-R820 WeakPolarHBondContact CG1-O 3.39Å; V796-I821 HydrophobicContact CG1-CG1 4.27Å; V796-I821 HydrophobicContact CG2-CG1 4.4Å; V796-I821 HydrophobicContact CG2-CG2 4.07Å
797	G	84.9	Confident	93.7	Very high	56 Å²	56	64.1 Å²	64.1	58%	0.577	35%	0.35	S	S	*	.			trans	-119.2	-9.6	-176.8	0	0	0	0	0	115.1	L795 V799	L795-G797 PolarHBondContact O-N 3.2Å; G797-V799 PolarHBondContact O-N 3.39Å
798	D	88.7	Confident	93.7	Very high	88 Å²	88	63.2 Å²	63.2	47%	0.471	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	105.7	-177.1	-173.8	0.3	0	0	0	110.3	M819 R820	D798-M819 CarbonylContact O-C 3.58Å; D798-M819 VanDerWaalsContact O-CA 3.26Å; D798-M819 WeakPolarHBondContact O-CA 3.4Å; D798-M819 WeakPolarHBondContact O-CB 3.26Å; D798-R820 HydrophobicContact CB-CB 4.11Å; D798-R820 PolarHBondContact O-N 2.87Å; D798-R820 WeakPolarHBondContact OD2-CD 3.46Å
799	V	86.7	Confident	93.6	Very high	35 Å²	35	60.5 Å²	60.5	21%	0.212	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	115.8	-178.7	175.9	0	0	0	0	110	H745 G797 S801 E802 M819	H745-V799 HydrophobicContact CB-CG2 4.02Å; H745-V799 WeakPolarHBondContact ND1-CG2 3.44Å; G797-V799 PolarHBondContact O-N 3.39Å; V799-S801 VanDerWaalsContact CG1-C 3.44Å; V799-S801 WeakPolarHBondContact CG1-O 3.48Å; V799-E802 HydrophobicContact CG1-CG 4.26Å; V799-M819 HydrophobicContact CG2-CE 4.29Å; V799-M819 HydrophobicContact CG2-CG 4.39Å
800	E	89.6	Confident	93.3	Very high	73 Å²	73	64.7 Å²	64.7	34%	0.341	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	-33.4	177.2	-175.8	168	-150.7	0	0	111.5	K818 R820 K826	E800-K818 HydrophobicContact CB-CB 4.19Å; E800-K818 PolarHBondContact N-O 3.01Å; E800-R820 HydrophobicContact CB-CG 4.33Å; E800-R820 IonicContact OE1-CZ 3.73Å; E800-R820 IonicContact OE1-NH1 2.92Å; E800-R820 IonicContact OE1-NH2 3.34Å; E800-R820 PolarHBondContact OE1-NH2 3.22Å; E800-K826 IonicContact OE1-NZ 2.69Å; E800-K826 PolarHBondContact OE1-NZ 2.62Å; E800-K826 WeakPolarHBondContact OE2-CD 3.15Å; E800-K826 IonicContact OE2-NZ 3.32Å; E800-K826 PolarHBondContact OE2-NZ 3.14Å
801	S	92.5	Very high	93.1	Very high	47 Å²	47	62.8 Å²	62.8	33%	0.329	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	123.9	173.2	-179.1	0	0	0	0	109.1	V799 K818	V799-S801 VanDerWaalsContact CG1-C 3.44Å; V799-S801 WeakPolarHBondContact CG1-O 3.48Å; S801-K818 PolarHBondContact N-O 3.13Å; S801-K818 PolarHBondContact O-N 3.43Å
802	E	92.5	Very high	92.9	Very high	98 Å²	98	55.5 Å²	55.5	46%	0.458	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	160.5	171.3	-63.7	-171	158.4	0	0	111	K744 V799 T804	K744-E802 HydrophobicContact CB-CB 4.43Å; K744-E802 WeakPolarHBondContact CD-OE1 3.45Å; K744-E802 WeakPolarHBondContact CE-OE1 3.31Å; K744-E802 IonicContact NZ-OE1 3.26Å; K744-E802 PolarHBondContact NZ-OE1 2.84Å; K744-E802 CarbonylContact O-C 3.55Å; K744-E802 WeakPolarHBondContact O-CA 3.31Å; V799-E802 HydrophobicContact CG1-CG 4.26Å; E802-T804 PolarHBondContact O-N 2.82Å
803	L	94.7	Very high	92.8	Very high	10 Å²	10	53.3 Å²	53.3	5%	0.052	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	125.1	-179.2	-169.9	75.8	0	0	0	111.4	L731 I742 D743 K744 A815 E816 F817 I831	L731-L803 HydrophobicContact CB-CD2 3.74Å; L731-L803 HydrophobicContact CD2-CD2 3.8Å; L731-L803 HydrophobicContact CD2-CG 4.48Å; L731-L803 HydrophobicContact CG-CD2 4.44Å; I742-L803 HydrophobicContact CB-CD2 3.97Å; I742-L803 HydrophobicContact CG2-CD2 3.73Å; D743-L803 WeakPolarHBondContact O-CD2 3.29Å; K744-L803 PolarHBondContact O-N 3.35Å; L803-A815 HydrophobicContact CD1-CB 3.85Å; L803-A815 HydrophobicContact CG-CB 4.19Å; L803-E816 WeakPolarHBondContact CA-O 3.24Å; L803-F817 HydrophobicContact CB-CB 4.36Å; L803-F817 HydrophobicContact CD1-CB 4.03Å; L803-F817 HydrophobicContact CD1-CD1 3.7Å; L803-F817 HydrophobicContact CD1-CG 4.28Å; L803-I831 HydrophobicContact CD1-CD1 4.37Å
804	T	95.4	Very high	92.9	Very high	71 Å²	71	49.3 Å²	49.3	44%	0.436	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	145.7	176.9	56.9	0	0	0	0	111	E802 V806 A815 E816	E802-T804 PolarHBondContact O-N 2.82Å; T804-V806 PolarHBondContact O-N 2.84Å; T804-A815 CarbonylContact O-C 3.42Å; T804-A815 WeakPolarHBondContact O-CA 3.46Å; T804-E816 PolarHBondContact N-O 2.9Å; T804-E816 PolarHBondContact O-N 3.31Å; T804-E816 PolarHBondContact OG1-O 3.45Å
805	L	95	Very high	92.9	Very high	55 Å²	55	45.9 Å²	45.9	29%	0.288	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	109.4	176.6	-169.2	63.8	0	0	0	109.3	A724 F726 L731	A724-L805 HydrophobicContact CB-CD1 3.94Å; A724-L805 HydrophobicContact CB-CD2 4.17Å; F726-L805 HydrophobicContact CE2-CB 4.07Å; L731-L805 HydrophobicContact CD1-CD1 4.25Å; L731-L805 HydrophobicContact CD2-CD1 4.32Å
806	V	94.6	Very high	93	Very high	73 Å²	73	44.3 Å²	44.3	44%	0.442	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	-36.1	-177.3	-178.5	0	0	0	0	111.4	T804 V814 E816	T804-V806 PolarHBondContact O-N 2.84Å; V806-V814 HydrophobicContact CB-CG1 4.44Å; V806-V814 PolarHBondContact N-O 3.38Å; V806-E816 HydrophobicContact CG2-CB 3.56Å
807	T	93.3	Very high	93.1	Very high	51 Å²	51	44.1 Å²	44.1	31%	0.313	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	136.3	179.2	-62.3	0	0	0	0	109.3	T809 A813 V814	T807-T809 HydrophobicContact CG2-CG2 4Å; T807-A813 CarbonylContact O-C 3.54Å; T807-A813 VanDerWaalsContact O-CA 3.29Å; T807-A813 WeakPolarHBondContact O-CA 3.29Å; T807-V814 PolarHBondContact N-O 2.95Å; T807-V814 VanDerWaalsContact N-O 3.09Å; T807-V814 PolarHBondContact O-N 2.75Å
808	S	93.7	Very high	93.7	Very high	67 Å²	67	45.5 Å²	45.5	47%	0.469	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	92.9	176.1	-176.6	0	0	0	0	109.4
809	T	92.3	Very high	94.1	Very high	22 Å²	22	41.4 Å²	41.4	14%	0.135	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	158.3	178.7	64.4	0	0	0	0	109.3	Q698 T807 A811 C812	Q698-T809 HydrophobicContact CG-CG2 4.35Å; T807-T809 HydrophobicContact CG2-CG2 4Å; T809-A811 PolarHBondContact O-N 3.29Å; T809-A811 VanDerWaalsContact O-N 3.08Å; T809-C812 PolarHBondContact N-O 3.31Å; T809-C812 CarbonylContact O-C 3.42Å; T809-C812 PolarHBondContact O-N 3.28Å; T809-C812 VanDerWaalsContact O-N 3.12Å; T809-C812 PolarHBondContact OG1-N 2.93Å; T809-C812 VanDerWaalsContact OG1-N 3.16Å; T809-C812 PolarHBondContact OG1-O 2.93Å
810	P	91.6	Very high	94.5	Very high	91 Å²	91	43.8 Å²	43.8	59%	0.591	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-28.1	175.6	-27.1	35.6	0	0	0	113.7	S721 V722	S721-P810 CarbonylContact C-O 3.56Å; S721-P810 WeakPolarHBondContact CA-O 3.05Å; V722-P810 PolarHBondContact N-O 2.55Å
811	A	91.6	Very high	94.8	Very high	5 Å²	5	41.5 Å²	41.5	4%	0.041	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-27.7	-179.5	0	0	0	0	0	113.7	V695 Q698 T809 C835	V695-A811 HydrophobicContact CG1-CB 3.8Å; Q698-A811 WeakPolarHBondContact O-CB 3.27Å; T809-A811 PolarHBondContact O-N 3.29Å; T809-A811 VanDerWaalsContact O-N 3.08Å; A811-C835 PolarHBondContact O-N 3.15Å
812	C	93.3	Very high	94.7	Very high	19 Å²	19	40.4 Å²	40.4	13%	0.128	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.5	136.7	-168.6	-174.1	0	0	0	0	111.7	T809 L833	T809-C812 PolarHBondContact N-O 3.31Å; T809-C812 CarbonylContact O-C 3.42Å; T809-C812 PolarHBondContact O-N 3.28Å; T809-C812 VanDerWaalsContact O-N 3.12Å; T809-C812 PolarHBondContact OG1-N 2.93Å; T809-C812 VanDerWaalsContact OG1-N 3.16Å; T809-C812 PolarHBondContact OG1-O 2.93Å; C812-L833 WeakPolarHBondContact CA-O 3.1Å
813	A	95.7	Very high	94.5	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.008	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	137.6	166.5	0	0	0	0	0	110.2	V722 A724 L733 T807 T832 L833	V722-A813 HydrophobicContact CG1-CB 3.62Å; A724-A813 HydrophobicContact CB-CB 3.65Å; L733-A813 HydrophobicContact CD2-CB 4.01Å; T807-A813 CarbonylContact O-C 3.54Å; T807-A813 VanDerWaalsContact O-CA 3.29Å; T807-A813 WeakPolarHBondContact O-CA 3.29Å; A813-T832 WeakPolarHBondContact O-CA 3.19Å; A813-L833 PolarHBondContact N-O 3.12Å; A813-L833 PolarHBondContact O-N 3.5Å
814	V	97	Very high	94.4	Very high	21 Å²	21	52.2 Å²	52.2	13%	0.127	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	124.3	178.1	-175.1	0	0	0	0	109	V806 T807 K830 I831 T832	V806-V814 HydrophobicContact CB-CG1 4.44Å; V806-V814 PolarHBondContact N-O 3.38Å; T807-V814 PolarHBondContact N-O 2.95Å; T807-V814 VanDerWaalsContact N-O 3.09Å; T807-V814 PolarHBondContact O-N 2.75Å; V814-K830 HydrophobicContact CG1-CB 4.28Å; V814-I831 WeakPolarHBondContact CA-O 3.45Å; V814-T832 HydrophobicContact CG2-CG2 4.1Å
815	A	97.5	Very high	94.5	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	152	170.8	0	0	0	0	0	110.8	L731 L803 T804 K830 I831	L731-A815 HydrophobicContact CD2-CB 3.4Å; L803-A815 HydrophobicContact CD1-CB 3.85Å; L803-A815 HydrophobicContact CG-CB 4.19Å; T804-A815 CarbonylContact O-C 3.42Å; T804-A815 WeakPolarHBondContact O-CA 3.46Å; A815-K830 CarbonylContact O-C 3.55Å; A815-K830 VanDerWaalsContact O-CA 3.26Å; A815-K830 WeakPolarHBondContact O-CA 3.45Å; A815-I831 PolarHBondContact N-O 3.27Å; A815-I831 PolarHBondContact O-N 2.95Å
816	E	97.8	Very high	94.6	Very high	41 Å²	41	49.9 Å²	49.9	19%	0.192	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	139.9	-177.5	-177.2	172	-140.7	0	0	111.3	L803 T804 V806 S828 Q829 K830	L803-E816 WeakPolarHBondContact CA-O 3.24Å; T804-E816 PolarHBondContact N-O 2.9Å; T804-E816 PolarHBondContact O-N 3.31Å; T804-E816 PolarHBondContact OG1-O 3.45Å; V806-E816 HydrophobicContact CG2-CB 3.56Å; E816-S828 PolarHBondContact OE1-OG 2.85Å; E816-Q829 WeakPolarHBondContact CA-O 3.4Å; E816-K830 HydrophobicContact CB-CG 4.2Å; E816-K830 HydrophobicContact CG-CG 4.05Å; E816-K830 WeakPolarHBondContact OE1-CE 3.29Å
817	F	96.9	Very high	94.8	Very high	2 Å²	2	46.6 Å²	46.6	1%	0.009	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	164.9	171.3	69	-80.4	0	0	0	110.6	H745 F770 L803 M819 L827 Q829 I831	H745-F817 WeakPolarHBondContact O-CD2 3.4Å; H745-F817 WeakPolarHBondContact O-CE2 3.42Å; F770-F817 HydrophobicContact CE2-CE2 4.3Å; F770-F817 HydrophobicContact CE2-CZ 4.03Å; L803-F817 HydrophobicContact CB-CB 4.36Å; L803-F817 HydrophobicContact CD1-CB 4.03Å; L803-F817 HydrophobicContact CD1-CD1 3.7Å; L803-F817 HydrophobicContact CD1-CG 4.28Å; F817-M819 HydrophobicContact CD2-CG 3.81Å; F817-M819 HydrophobicContact CD2-SD 4.2Å; F817-M819 HydrophobicContact CE2-CG 3.81Å; F817-M819 HydrophobicContact CE2-SD 3.61Å; F817-L827 HydrophobicContact CE2-CD2 4.24Å; F817-Q829 HydrophobicContact CD1-CB 4.3Å; F817-Q829 HydrophobicContact CE1-CB 3.6Å; F817-Q829 HydrophobicContact CE1-CG 3.93Å; F817-Q829 HydrophobicContact CE2-CB 4.43Å; F817-Q829 HydrophobicContact CZ-CB 3.7Å; F817-Q829 HydrophobicContact CZ-CG 4.22Å; F817-Q829 VanDerWaalsContact CZ-OE1 3.23Å; F817-Q829 PolarHBondContact N-O 3.36Å; F817-Q829 VanDerWaalsContact N-O 3.17Å; F817-Q829 PolarHBondContact O-N 2.94Å; F817-Q829 VanDerWaalsContact O-N 3.08Å; F817-I831 HydrophobicContact CD1-CD1 4.42Å; F817-I831 HydrophobicContact CE1-CD1 3.94Å; F817-I831 HydrophobicContact CE1-CG1 4.24Å
818	K	97.5	Very high	95	Very high	86 Å²	86	45.4 Å²	45.4	37%	0.374	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	141.2	179.7	-59.8	-179.6	-178.4	173.7	0	111.2	E800 S801 L827	E800-K818 HydrophobicContact CB-CB 4.19Å; E800-K818 PolarHBondContact N-O 3.01Å; S801-K818 PolarHBondContact N-O 3.13Å; S801-K818 PolarHBondContact O-N 3.43Å; K818-L827 CarbonylContact C-O 3.58Å; K818-L827 VanDerWaalsContact CA-O 3.29Å; K818-L827 WeakPolarHBondContact CA-O 3.18Å
819	M	96.2	Very high	95.2	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.005	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	153.7	-179.7	-55.2	178.3	85.1	0	0	111	F770 V796 D798 V799 F817 L827	F770-M819 HydrophobicContact CD2-SD 3.85Å; F770-M819 HydrophobicContact CE2-SD 4.43Å; V796-M819 HydrophobicContact CB-CE 4.18Å; V796-M819 HydrophobicContact CG1-CB 4.26Å; V796-M819 HydrophobicContact CG1-CE 3.78Å; V796-M819 HydrophobicContact CG1-SD 4.37Å; V796-M819 WeakPolarHBondContact O-CE 3.24Å; D798-M819 CarbonylContact O-C 3.58Å; D798-M819 VanDerWaalsContact O-CA 3.26Å; D798-M819 WeakPolarHBondContact O-CA 3.4Å; D798-M819 WeakPolarHBondContact O-CB 3.26Å; V799-M819 HydrophobicContact CG2-CE 4.29Å; V799-M819 HydrophobicContact CG2-CG 4.39Å; F817-M819 HydrophobicContact CD2-CG 3.81Å; F817-M819 HydrophobicContact CD2-SD 4.2Å; F817-M819 HydrophobicContact CE2-CG 3.81Å; F817-M819 HydrophobicContact CE2-SD 3.61Å; M819-L827 PolarHBondContact N-O 3.19Å; M819-L827 PolarHBondContact O-N 2.86Å; M819-L827 HydrophobicContact SD-CD2 4.44Å
820	R	95.9	Very high	95.5	Very high	85 Å²	85	44.7 Å²	44.7	32%	0.321	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	128.2	164	-62.2	-176.1	-162.2	-92.6	-12.9	108.8	V796 D798 E800	V796-R820 VanDerWaalsContact CG1-O 3.24Å; V796-R820 WeakPolarHBondContact CG1-O 3.39Å; D798-R820 HydrophobicContact CB-CB 4.11Å; D798-R820 PolarHBondContact O-N 2.87Å; D798-R820 WeakPolarHBondContact OD2-CD 3.46Å; E800-R820 HydrophobicContact CB-CG 4.33Å; E800-R820 IonicContact OE1-CZ 3.73Å; E800-R820 IonicContact OE1-NH1 2.92Å; E800-R820 IonicContact OE1-NH2 3.34Å; E800-R820 PolarHBondContact OE1-NH2 3.22Å
821	I	95.6	Very high	95.8	Very high	26 Å²	26	40.4 Å²	40.4	13%	0.133	19%	0.185	C	C	.	.	S	Bend	trans	-85.6	-40.9	175.4	-60.1	165.4	0	0	0	110	V772 V796 S825 L827 V846 W848 L855	V772-I821 HydrophobicContact CG2-CG2 3.4Å; V772-I821 VanDerWaalsContact CG2-CG2 3.4Å; V796-I821 HydrophobicContact CG1-CG1 4.27Å; V796-I821 HydrophobicContact CG2-CG1 4.4Å; V796-I821 HydrophobicContact CG2-CG2 4.07Å; I821-S825 PolarHBondContact N-O 3.47Å; I821-L827 HydrophobicContact CD1-CB 4Å; I821-L827 HydrophobicContact CD1-CD1 4.43Å; I821-L827 HydrophobicContact CG1-CB 4.19Å; I821-V846 HydrophobicContact CD1-CG1 3.74Å; I821-W848 HydrophobicContact CD1-CE3 4.15Å; I821-W848 HydrophobicContact CD1-CZ3 3.97Å; I821-W848 HydrophobicContact CG2-CZ3 4Å; I821-L855 HydrophobicContact CD1-CD1 4.23Å; I821-L855 HydrophobicContact CD1-CD2 3.89Å
822	G	90.7	Very high	96	Very high	23 Å²	23	40.8 Å²	40.8	24%	0.237	19%	0.187	C	C	.	.	S	Bend	trans	-147.6	-160.2	178.3	0	0	0	0	0	110.4	E824 S825	G822-E824 VanDerWaalsContact C-N 3.31Å; G822-E824 PolarHBondContact O-N 3.4Å; G822-S825 PolarHBondContact N-O 3.29Å
823	R	89.1	Confident	96.2	Very high	232 Å²	232	39.9 Å²	39.9	88%	0.875	18%	0.181	S	C	*	.	S	Bend	trans	-63.4	-39.1	-179.6	-175.6	179.9	175.4	-176.5	-2.9	112.3
824	E	91.8	Very high	96.1	Very high	125 Å²	125	42.9 Å²	42.9	58%	0.584	19%	0.192	S	C	*	.	S	Bend	trans	-117	-19.5	-174.1	-62.6	-175.1	-175.9	0	0	113.1	G822 R849	G822-E824 VanDerWaalsContact C-N 3.31Å; G822-E824 PolarHBondContact O-N 3.4Å; E824-R849 HydrophobicContact CB-CB 3.85Å; E824-R849 HydrophobicContact CB-CG 4.2Å
825	S	97.6	Very high	96	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	19%	0.186	C	C	.	.			trans	-88.8	135.3	-179.3	-54.6	0	0	0	0	112.6	I821 G822 D847 R849 E850	I821-S825 PolarHBondContact N-O 3.47Å; G822-S825 PolarHBondContact N-O 3.29Å; S825-D847 CarbonylContact C-O 3.54Å; S825-D847 WeakPolarHBondContact CA-O 3.32Å; S825-D847 WeakPolarHBondContact CB-O 3.24Å; S825-R849 WeakPolarHBondContact OG-CA 3.33Å; S825-R849 PolarHBondContact OG-N 2.98Å; S825-E850 WeakPolarHBondContact CB-OE1 3.48Å; S825-E850 WeakPolarHBondContact OG-CG 3.45Å; S825-E850 PolarHBondContact OG-N 3.49Å; S825-E850 PolarHBondContact OG-OE1 3.23Å
826	K	97.7	Very high	95.6	Very high	77 Å²	77	45 Å²	45	34%	0.335	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	149.7	-177	-62.6	-174.9	176.6	-157.5	0	111.7	E800 V846 D847	E800-K826 IonicContact OE1-NZ 2.69Å; E800-K826 PolarHBondContact OE1-NZ 2.62Å; E800-K826 WeakPolarHBondContact OE2-CD 3.15Å; E800-K826 IonicContact OE2-NZ 3.32Å; E800-K826 PolarHBondContact OE2-NZ 3.14Å; K826-V846 CarbonylContact O-C 3.57Å; K826-V846 WeakPolarHBondContact O-CA 3.48Å; K826-D847 PolarHBondContact N-O 3.17Å; K826-D847 PolarHBondContact O-N 3.35Å
827	L	97.4	Very high	95.4	Very high	4 Å²	4	43.6 Å²	43.6	2%	0.021	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	137.8	177	-178.6	145.9	0	0	0	110.1	F770 F817 K818 M819 I821 Q829 T844 V845 V846	F770-L827 HydrophobicContact CD1-CD1 3.69Å; F770-L827 HydrophobicContact CD2-CD1 4.17Å; F770-L827 HydrophobicContact CD2-CD2 4.3Å; F770-L827 HydrophobicContact CE1-CD1 3.49Å; F770-L827 VanDerWaalsContact CE1-CD1 3.49Å; F770-L827 HydrophobicContact CE2-CD1 3.99Å; F770-L827 HydrophobicContact CE2-CD2 3.79Å; F770-L827 HydrophobicContact CG-CD1 4.01Å; F770-L827 HydrophobicContact CZ-CD1 3.63Å; F770-L827 HydrophobicContact CZ-CD2 3.97Å; F770-L827 HydrophobicContact CZ-CG 4.43Å; F817-L827 HydrophobicContact CE2-CD2 4.24Å; K818-L827 CarbonylContact C-O 3.58Å; K818-L827 VanDerWaalsContact CA-O 3.29Å; K818-L827 WeakPolarHBondContact CA-O 3.18Å; M819-L827 PolarHBondContact N-O 3.19Å; M819-L827 PolarHBondContact O-N 2.86Å; M819-L827 HydrophobicContact SD-CD2 4.44Å; I821-L827 HydrophobicContact CD1-CB 4Å; I821-L827 HydrophobicContact CD1-CD1 4.43Å; I821-L827 HydrophobicContact CG1-CB 4.19Å; L827-Q829 HydrophobicContact CD2-CB 4.13Å; L827-T844 HydrophobicContact CD1-CG2 3.87Å; L827-T844 HydrophobicContact CG-CG2 4.03Å; L827-V845 CarbonylContact C-O 3.58Å; L827-V845 WeakPolarHBondContact CA-O 3.36Å; L827-V846 HydrophobicContact CD1-CG2 3.98Å; L827-V846 HydrophobicContact CG-CG2 4.25Å
828	S	97.6	Very high	95.3	Very high	25 Å²	25	43.7 Å²	43.7	18%	0.175	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	131.1	169.5	-167	0	0	0	0	107.6	E816 V845	E816-S828 PolarHBondContact OE1-OG 2.85Å; S828-V845 PolarHBondContact N-O 3.17Å; S828-V845 PolarHBondContact O-N 3.34Å
829	Q	98.3	Very high	95.2	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	134.8	177.8	179.4	177.9	84.4	0	0	111	N768 E816 F817 L827 I831 F842 Q843 T844 Y950	N768-Q829 PolarHBondContact ND2-OE1 3.44Å; E816-Q829 WeakPolarHBondContact CA-O 3.4Å; F817-Q829 HydrophobicContact CD1-CB 4.3Å; F817-Q829 HydrophobicContact CE1-CB 3.6Å; F817-Q829 HydrophobicContact CE1-CG 3.93Å; F817-Q829 HydrophobicContact CE2-CB 4.43Å; F817-Q829 HydrophobicContact CZ-CB 3.7Å; F817-Q829 HydrophobicContact CZ-CG 4.22Å; F817-Q829 VanDerWaalsContact CZ-OE1 3.23Å; F817-Q829 PolarHBondContact N-O 3.36Å; F817-Q829 VanDerWaalsContact N-O 3.17Å; F817-Q829 PolarHBondContact O-N 2.94Å; F817-Q829 VanDerWaalsContact O-N 3.08Å; L827-Q829 HydrophobicContact CD2-CB 4.13Å; Q829-I831 HydrophobicContact CG-CG1 4.39Å; Q829-F842 HydrophobicContact CG-CB 4.42Å; Q829-Q843 WeakPolarHBondContact CA-O 3.29Å; Q829-T844 PolarHBondContact NE2-OG1 2.85Å; Q829-Y950 PolarHBondContact NE2-OH 3.49Å
830	K	98.2	Very high	95.3	Very high	75 Å²	75	40.2 Å²	40.2	33%	0.326	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	123.3	170.2	-65.9	-179	178.9	179.4	0	109.6	V814 A815 E816 Q843	V814-K830 HydrophobicContact CG1-CB 4.28Å; A815-K830 CarbonylContact O-C 3.55Å; A815-K830 VanDerWaalsContact O-CA 3.26Å; A815-K830 WeakPolarHBondContact O-CA 3.45Å; E816-K830 HydrophobicContact CB-CG 4.2Å; E816-K830 HydrophobicContact CG-CG 4.05Å; E816-K830 WeakPolarHBondContact OE1-CE 3.29Å; K830-Q843 HydrophobicContact CB-CB 4.36Å; K830-Q843 PolarHBondContact N-O 2.87Å; K830-Q843 PolarHBondContact O-N 3.46Å
831	I	98.2	Very high	95.4	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	118.1	177.4	-51.5	179.9	0	0	0	107.6	L733 I742 L803 V814 A815 F817 Q829 V840 E841 F842	L733-I831 HydrophobicContact CD1-CG2 4.17Å; I742-I831 HydrophobicContact CD1-CD1 3.78Å; I742-I831 HydrophobicContact CD1-CG2 3.93Å; I742-I831 HydrophobicContact CG2-CD1 4.1Å; L803-I831 HydrophobicContact CD1-CD1 4.37Å; V814-I831 WeakPolarHBondContact CA-O 3.45Å; A815-I831 PolarHBondContact N-O 3.27Å; A815-I831 PolarHBondContact O-N 2.95Å; F817-I831 HydrophobicContact CD1-CD1 4.42Å; F817-I831 HydrophobicContact CE1-CD1 3.94Å; F817-I831 HydrophobicContact CE1-CG1 4.24Å; Q829-I831 HydrophobicContact CG-CG1 4.39Å; I831-V840 HydrophobicContact CG2-CG1 3.51Å; I831-E841 CarbonylContact C-O 3.58Å; I831-E841 WeakPolarHBondContact CA-O 3.36Å; I831-F842 HydrophobicContact CD1-CD1 4.39Å; I831-F842 HydrophobicContact CD1-CE1 4.14Å; I831-F842 HydrophobicContact CG1-CD1 3.95Å; I831-F842 HydrophobicContact CG1-CE1 4.09Å; I831-F842 HydrophobicContact CG2-CD1 4.3Å; I831-F842 HydrophobicContact CG2-CE1 3.93Å; I831-F842 HydrophobicContact CG2-CZ 4.47Å
832	T	96.9	Very high	95.5	Very high	13 Å²	13	36.2 Å²	36.2	8%	0.08	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	127.4	-173.8	-58.3	0	0	0	0	111.2	A813 V814 R834 E841	A813-T832 WeakPolarHBondContact O-CA 3.19Å; V814-T832 HydrophobicContact CG2-CG2 4.1Å; T832-R834 HydrophobicContact CG2-CG 4.18Å; T832-E841 PolarHBondContact N-O 3.19Å; T832-E841 PolarHBondContact O-N 3.25Å
833	L	96.6	Very high	95.9	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	130.9	169.5	-177.5	58	0	0	0	109.8	V722 L733 N735 V738 C812 A813 V840	V722-L833 HydrophobicContact CG1-CB 4.27Å; V722-L833 HydrophobicContact CG1-CD2 3.97Å; V722-L833 HydrophobicContact CG1-CG 4.02Å; V722-L833 HydrophobicContact CG2-CG 4.4Å; L733-L833 HydrophobicContact CB-CD2 3.87Å; L733-L833 HydrophobicContact CD1-CB 4.44Å; N735-L833 HydrophobicContact CB-CD2 4.23Å; N735-L833 HydrophobicContact CB-CG 4.45Å; N735-L833 VanDerWaalsContact ND2-CD1 3.34Å; N735-L833 WeakPolarHBondContact ND2-CD1 3.38Å; V738-L833 HydrophobicContact CG1-CD1 3.6Å; V738-L833 HydrophobicContact CG1-CD2 3.97Å; V738-L833 HydrophobicContact CG1-CG 4.46Å; C812-L833 WeakPolarHBondContact CA-O 3.1Å; A813-L833 PolarHBondContact N-O 3.12Å; A813-L833 PolarHBondContact O-N 3.5Å; L833-V840 HydrophobicContact CD1-CG2 4.24Å
834	R	94.7	Very high	96.4	Very high	64 Å²	64	28.2 Å²	28.2	24%	0.242	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	153.2	178.2	-58.8	-174.6	-173.2	87.9	6.2	111.1	V695 N735 T832 R836 C837 E841	V695-R834 HydrophobicContact CG2-CB 4.2Å; N735-R834 PolarHBondContact ND2-O 3.34Å; T832-R834 HydrophobicContact CG2-CG 4.18Å; R834-R836 VanDerWaalsContact C-N 3.3Å; R834-R836 PolarHBondContact O-N 3.05Å; R834-C837 HydrophobicContact CB-CB 3.87Å; R834-C837 PolarHBondContact O-N 2.91Å; R834-E841 IonicContact CZ-OE1 3Å; R834-E841 IonicContact CZ-OE2 2.69Å; R834-E841 VanDerWaalsContact CZ-OE2 3.26Å; R834-E841 IonicContact NH1-OE1 3.89Å; R834-E841 PolarHBondContact NH1-OE1 2.75Å; R834-E841 IonicContact NH1-OE2 4Å; R834-E841 PolarHBondContact NH1-OE2 3.45Å; R834-E841 IonicContact NH2-OE1 3.77Å; R834-E841 IonicContact NH2-OE2 2.76Å; R834-E841 PolarHBondContact NH2-OE2 3.22Å
835	C	92.9	Very high	96.7	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-31.9	-169.8	57.1	0	0	0	0	114.3	D720 V722 F737 A811	D720-C835 WeakPolarHBondContact O-CB 3.43Å; V722-C835 HydrophobicContact CG2-CB 3.86Å; F737-C835 WeakPolarHBondContact CE2-O 3.45Å; A811-C835 PolarHBondContact O-N 3.15Å
836	R	90.9	Very high	96.7	Very high	65 Å²	65	25 Å²	25	25%	0.245	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.6	20.6	-177.8	-64.4	-178.3	74.5	116	6.1	113.5	S693 D720 R834	S693-R836 PolarHBondContact OG-NE 3.31Å; D720-R836 HydrophobicContact CB-CG 4.41Å; R834-R836 VanDerWaalsContact C-N 3.3Å; R834-R836 PolarHBondContact O-N 3.05Å
837	C	92.9	Very high	96.8	Very high	12 Å²	12	23.7 Å²	23.7	8%	0.081	11%	0.114	C	C	.	.			trans	-113.8	123.4	-175.9	-167.5	0	0	0	0	110.7	N735 F737 R834 Y839	N735-C837 PolarHBondContact ND2-O 3.47Å; F737-C837 WeakPolarHBondContact CD2-O 3.39Å; R834-C837 HydrophobicContact CB-CB 3.87Å; R834-C837 PolarHBondContact O-N 2.91Å; C837-Y839 PolarHBondContact O-N 2.96Å; C837-Y839 VanDerWaalsContact SG-CD2 3.54Å; C837-Y839 VanDerWaalsContact SG-CE1 3.56Å; C837-Y839 WeakPolarHBondContact SG-CE2 2.99Å; C837-Y839 PolarHBondContact SG-O 3.43Å; C837-Y839 VanDerWaalsContact SG-O 3.38Å
838	P	94.4	Very high	96.8	Very high	5 Å²	5	23.5 Å²	23.5	3%	0.032	11%	0.113	C	C	.	.	S	Bend	trans	-81.5	2.9	-178.2	33.6	-35	0	0	0	114.2	F737 M953 S966 V968	F737-P838 HydrophobicContact CB-CB 4.03Å; F737-P838 HydrophobicContact CD2-CB 4.42Å; F737-P838 HydrophobicContact CG-CB 4.11Å; P838-M953 HydrophobicContact CB-CE 4.27Å; P838-M953 HydrophobicContact CG-CE 4.05Å; P838-S966 WeakPolarHBondContact CB-OG 3.31Å; P838-V968 HydrophobicContact CG-CG2 3.68Å
839	Y	96.4	Very high	96.8	Very high	13 Å²	13	28.4 Å²	28.4	5%	0.051	13%	0.128	C	C	.	.	S	Bend	trans	-131.8	154.9	-179.4	56.7	-99.7	0	0	0	111.5	C837 E841 A951 L952 M953 A973	C837-Y839 PolarHBondContact O-N 2.96Å; C837-Y839 VanDerWaalsContact SG-CD2 3.54Å; C837-Y839 VanDerWaalsContact SG-CE1 3.56Å; C837-Y839 WeakPolarHBondContact SG-CE2 2.99Å; C837-Y839 PolarHBondContact SG-O 3.43Å; C837-Y839 VanDerWaalsContact SG-O 3.38Å; Y839-E841 HydrophobicContact CD2-CG 3.98Å; Y839-E841 HydrophobicContact CE2-CG 3.75Å; Y839-E841 WeakPolarHBondContact CE2-OE1 3.28Å; Y839-A951 HydrophobicContact CD2-CB 3.65Å; Y839-A951 HydrophobicContact CE2-CB 4.31Å; Y839-A951 HydrophobicContact CG-CB 4.29Å; Y839-L952 WeakPolarHBondContact CA-O 3.46Å; Y839-L952 WeakPolarHBondContact CB-O 3.33Å; Y839-M953 HydrophobicContact CD1-SD 4.32Å; Y839-A973 HydrophobicContact CD1-CB 3.76Å; Y839-A973 HydrophobicContact CE1-CB 3.71Å
840	V	97.6	Very high	96.7	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	128.4	176.5	-171.4	0	0	0	0	109.1	V738 M740 I831 L833 F842 A951 L952	V738-V840 HydrophobicContact CG1-CG2 3.96Å; V738-V840 HydrophobicContact CG2-CG2 4.49Å; M740-V840 HydrophobicContact CE-CB 3.82Å; M740-V840 HydrophobicContact CE-CG1 4.09Å; M740-V840 HydrophobicContact CE-CG2 3.42Å; M740-V840 VanDerWaalsContact CE-CG2 3.42Å; M740-V840 HydrophobicContact SD-CB 4.48Å; M740-V840 HydrophobicContact SD-CG1 4.12Å; M740-V840 HydrophobicContact SD-CG2 4.15Å; I831-V840 HydrophobicContact CG2-CG1 3.51Å; L833-V840 HydrophobicContact CD1-CG2 4.24Å; V840-F842 HydrophobicContact CB-CE2 4.11Å; V840-F842 HydrophobicContact CB-CZ 4.24Å; V840-F842 HydrophobicContact CG1-CE2 4.18Å; V840-F842 HydrophobicContact CG1-CZ 3.99Å; V840-F842 WeakPolarHBondContact O-CD2 3.15Å; V840-F842 VanDerWaalsContact O-CE2 3.29Å; V840-F842 WeakPolarHBondContact O-CE2 3.48Å; V840-A951 CarbonylContact O-C 3.56Å; V840-A951 WeakPolarHBondContact O-CA 3.36Å; V840-A951 VanDerWaalsContact O-CB 3.31Å; V840-A951 WeakPolarHBondContact O-CB 3.37Å; V840-L952 PolarHBondContact N-O 2.85Å; V840-L952 PolarHBondContact O-N 2.84Å
841	E	98	Very high	96.6	Very high	27 Å²	27	29.4 Å²	29.4	13%	0.126	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	138.8	179.9	-72.1	173.9	-169.2	0	0	111.9	I831 T832 R834 Y839 T949 A951 L977	I831-E841 CarbonylContact C-O 3.58Å; I831-E841 WeakPolarHBondContact CA-O 3.36Å; T832-E841 PolarHBondContact N-O 3.19Å; T832-E841 PolarHBondContact O-N 3.25Å; R834-E841 IonicContact CZ-OE1 3Å; R834-E841 IonicContact CZ-OE2 2.69Å; R834-E841 VanDerWaalsContact CZ-OE2 3.26Å; R834-E841 IonicContact NH1-OE1 3.89Å; R834-E841 PolarHBondContact NH1-OE1 2.75Å; R834-E841 IonicContact NH1-OE2 4Å; R834-E841 PolarHBondContact NH1-OE2 3.45Å; R834-E841 IonicContact NH2-OE1 3.77Å; R834-E841 IonicContact NH2-OE2 2.76Å; R834-E841 PolarHBondContact NH2-OE2 3.22Å; Y839-E841 HydrophobicContact CD2-CG 3.98Å; Y839-E841 HydrophobicContact CE2-CG 3.75Å; Y839-E841 WeakPolarHBondContact CE2-OE1 3.28Å; E841-T949 HydrophobicContact CB-CG2 4.37Å; E841-A951 HydrophobicContact CG-CB 4.37Å; E841-L977 HydrophobicContact CG-CD1 4.36Å
842	F	98.5	Very high	96.5	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	86.9	179.4	-59.9	-89.5	0	0	0	109.1	M740 I748 Q829 I831 V840 T844 T949 Y950 L952	M740-F842 HydrophobicContact CE-CZ 4.19Å; I748-F842 HydrophobicContact CD1-CE1 4.03Å; I748-F842 HydrophobicContact CD1-CZ 3.66Å; Q829-F842 HydrophobicContact CG-CB 4.42Å; I831-F842 HydrophobicContact CD1-CD1 4.39Å; I831-F842 HydrophobicContact CD1-CE1 4.14Å; I831-F842 HydrophobicContact CG1-CD1 3.95Å; I831-F842 HydrophobicContact CG1-CE1 4.09Å; I831-F842 HydrophobicContact CG2-CD1 4.3Å; I831-F842 HydrophobicContact CG2-CE1 3.93Å; I831-F842 HydrophobicContact CG2-CZ 4.47Å; V840-F842 HydrophobicContact CB-CE2 4.11Å; V840-F842 HydrophobicContact CB-CZ 4.24Å; V840-F842 HydrophobicContact CG1-CE2 4.18Å; V840-F842 HydrophobicContact CG1-CZ 3.99Å; V840-F842 WeakPolarHBondContact O-CD2 3.15Å; V840-F842 VanDerWaalsContact O-CE2 3.29Å; V840-F842 WeakPolarHBondContact O-CE2 3.48Å; F842-T844 PolarHBondContact O-N 3.01Å; F842-T844 PolarHBondContact O-OG1 2.97Å; F842-T949 WeakPolarHBondContact O-CA 3.22Å; F842-Y950 HydrophobicContact CB-CD1 4.33Å; F842-Y950 HydrophobicContact CB-CD2 3.63Å; F842-Y950 HydrophobicContact CB-CE1 4.09Å; F842-Y950 HydrophobicContact CB-CE2 3.32Å; F842-Y950 HydrophobicContact CB-CG 4.14Å; F842-Y950 HydrophobicContact CD1-CE2 4.11Å; F842-Y950 AromaticContact CD2-CD2 3.62Å; F842-Y950 HydrophobicContact CD2-CD2 3.62Å; F842-Y950 AromaticContact CD2-CE2 3.57Å; F842-Y950 HydrophobicContact CD2-CE2 3.57Å; F842-Y950 HydrophobicContact CE2-CE2 4.44Å; F842-Y950 AromaticContact CG-CD2 3.83Å; F842-Y950 HydrophobicContact CG-CD2 3.83Å; F842-Y950 AromaticContact CG-CE2 3.39Å; F842-Y950 HydrophobicContact CG-CE2 3.39Å; F842-Y950 PolarHBondContact N-O 3.04Å; F842-Y950 PolarHBondContact O-N 3.15Å; F842-L952 HydrophobicContact CE2-CB 3.68Å; F842-L952 HydrophobicContact CZ-CB 4.34Å
843	Q	98.5	Very high	96.6	Very high	87 Å²	87	34.5 Å²	34.5	41%	0.407	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	111.8	174.6	-173.9	-178.9	30.4	0	0	108.6	Q829 K830	Q829-Q843 WeakPolarHBondContact CA-O 3.29Å; K830-Q843 HydrophobicContact CB-CB 4.36Å; K830-Q843 PolarHBondContact N-O 2.87Å; K830-Q843 PolarHBondContact O-N 3.46Å
844	T	98.6	Very high	96.7	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	132.7	-173	-52	0	0	0	0	109.9	F770 L827 Q829 F842 V846 S947 F948 Y950	F770-T844 HydrophobicContact CZ-CG2 4.43Å; L827-T844 HydrophobicContact CD1-CG2 3.87Å; L827-T844 HydrophobicContact CG-CG2 4.03Å; Q829-T844 PolarHBondContact NE2-OG1 2.85Å; F842-T844 PolarHBondContact O-N 3.01Å; F842-T844 PolarHBondContact O-OG1 2.97Å; T844-V846 HydrophobicContact CG2-CG2 3.89Å; T844-S947 WeakPolarHBondContact O-CA 3.26Å; T844-F948 HydrophobicContact CG2-CE2 3.88Å; T844-F948 HydrophobicContact CG2-CZ 3.83Å; T844-F948 PolarHBondContact N-O 3.29Å; T844-F948 PolarHBondContact O-N 3.13Å; T844-Y950 WeakPolarHBondContact OG1-CE1 3.48Å
845	V	98.7	Very high	96.8	Very high	57 Å²	57	31.5 Å²	31.5	35%	0.345	15%	0.151	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	127.2	173	-179.5	0	0	0	0	108.1	L827 S828 V945 H946	L827-V845 CarbonylContact C-O 3.58Å; L827-V845 WeakPolarHBondContact CA-O 3.36Å; S828-V845 PolarHBondContact N-O 3.17Å; S828-V845 PolarHBondContact O-N 3.34Å; V845-V945 HydrophobicContact CG1-CG1 3.92Å; V845-H946 CarbonylContact C-O 3.59Å; V845-H946 VanDerWaalsContact CA-O 3.28Å; V845-H946 WeakPolarHBondContact CA-O 3.48Å
846	V	98.5	Very high	97.1	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	123	-178.9	-171.2	0	0	0	0	109.2	I821 K826 L827 T844 W848 L855 L931 V945 H946 F948	I821-V846 HydrophobicContact CD1-CG1 3.74Å; K826-V846 CarbonylContact O-C 3.57Å; K826-V846 WeakPolarHBondContact O-CA 3.48Å; L827-V846 HydrophobicContact CD1-CG2 3.98Å; L827-V846 HydrophobicContact CG-CG2 4.25Å; T844-V846 HydrophobicContact CG2-CG2 3.89Å; V846-W848 HydrophobicContact CG1-CB 4.17Å; V846-W848 HydrophobicContact CG1-CE3 4.02Å; V846-L855 HydrophobicContact CG1-CD2 4.31Å; V846-L855 HydrophobicContact CG2-CD2 4.29Å; V846-L931 HydrophobicContact CB-CD1 3.82Å; V846-L931 HydrophobicContact CG1-CD1 3.82Å; V846-L931 HydrophobicContact CG2-CD1 4.2Å; V846-V945 CarbonylContact O-C 3.52Å; V846-V945 WeakPolarHBondContact O-CA 3.41Å; V846-H946 PolarHBondContact N-O 2.94Å; V846-H946 PolarHBondContact O-N 3.39Å; V846-F948 HydrophobicContact CG2-CE1 4.03Å; V846-F948 HydrophobicContact CG2-CZ 3.99Å
847	D	98.3	Very high	97.5	Very high	51 Å²	51	28.4 Å²	28.4	27%	0.273	14%	0.139	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	105.7	161	-172.3	-4.6	0	0	0	106.7	S825 K826 R849 V945	S825-D847 CarbonylContact C-O 3.54Å; S825-D847 WeakPolarHBondContact CA-O 3.32Å; S825-D847 WeakPolarHBondContact CB-O 3.24Å; K826-D847 PolarHBondContact N-O 3.17Å; K826-D847 PolarHBondContact O-N 3.35Å; D847-R849 IonicContact OD1-CZ 3.99Å; D847-R849 IonicContact OD1-NE 4Å; D847-R849 PolarHBondContact OD1-NE 2.93Å; D847-R849 IonicContact OD1-NH2 3.82Å; D847-V945 HydrophobicContact CB-CG2 4.39Å
848	W	98	Very high	97.8	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	114.6	-168.8	-171.1	-118.7	0	0	0	110.8	I821 V846 E850 K853 L855 L931 R932 G944	I821-W848 HydrophobicContact CD1-CE3 4.15Å; I821-W848 HydrophobicContact CD1-CZ3 3.97Å; I821-W848 HydrophobicContact CG2-CZ3 4Å; V846-W848 HydrophobicContact CG1-CB 4.17Å; V846-W848 HydrophobicContact CG1-CE3 4.02Å; W848-E850 HydrophobicContact CE3-CG 4.19Å; W848-E850 HydrophobicContact CH2-CB 3.92Å; W848-E850 HydrophobicContact CH2-CG 3.72Å; W848-E850 HydrophobicContact CZ2-CB 3.88Å; W848-E850 HydrophobicContact CZ2-CG 4.2Å; W848-E850 HydrophobicContact CZ3-CB 4.29Å; W848-E850 HydrophobicContact CZ3-CG 3.73Å; W848-K853 HydrophobicContact CH2-CB 4.03Å; W848-K853 HydrophobicContact CZ2-CB 3.94Å; W848-L855 HydrophobicContact CE3-CD2 4.49Å; W848-L855 HydrophobicContact CH2-CB 3.69Å; W848-L855 HydrophobicContact CZ2-CB 4.33Å; W848-L855 HydrophobicContact CZ3-CB 3.89Å; W848-L855 HydrophobicContact CZ3-CD2 4.18Å; W848-L855 HydrophobicContact CZ3-CG 4.46Å; W848-L931 HydrophobicContact CB-CD1 3.96Å; W848-L931 HydrophobicContact CD2-CB 4.28Å; W848-L931 HydrophobicContact CD2-CD1 4.1Å; W848-L931 HydrophobicContact CE3-CD1 4.41Å; W848-L931 HydrophobicContact CG-CB 4.47Å; W848-L931 HydrophobicContact CG-CD1 3.91Å; W848-L931 HydrophobicContact CZ2-CB 4.49Å; W848-R932 PolarHBondContact NE1-O 2.69Å; W848-G944 PolarHBondContact N-O 3.04Å; W848-G944 PolarHBondContact O-N 2.93Å
849	R	97.4	Very high	98	Very high	128 Å²	128	27.8 Å²	27.8	48%	0.483	14%	0.135	S	C	.	.			trans	-131.1	5	-174.8	-57	-62.9	-178.7	137.3	5.6	113.3	E824 S825 D847	E824-R849 HydrophobicContact CB-CB 3.85Å; E824-R849 HydrophobicContact CB-CG 4.2Å; S825-R849 WeakPolarHBondContact OG-CA 3.33Å; S825-R849 PolarHBondContact OG-N 2.98Å; D847-R849 IonicContact OD1-CZ 3.99Å; D847-R849 IonicContact OD1-NE 4Å; D847-R849 PolarHBondContact OD1-NE 2.93Å; D847-R849 IonicContact OD1-NH2 3.82Å
850	E	96.3	Very high	98.1	Very high	38 Å²	38	27.4 Å²	27.4	18%	0.178	13%	0.134	C	C	.	.			trans	-68.9	166.8	176.7	-59.3	-50.2	121.1	0	0	112	S825 W848 K853 S933 M943	S825-E850 WeakPolarHBondContact CB-OE1 3.48Å; S825-E850 WeakPolarHBondContact OG-CG 3.45Å; S825-E850 PolarHBondContact OG-N 3.49Å; S825-E850 PolarHBondContact OG-OE1 3.23Å; W848-E850 HydrophobicContact CE3-CG 4.19Å; W848-E850 HydrophobicContact CH2-CB 3.92Å; W848-E850 HydrophobicContact CH2-CG 3.72Å; W848-E850 HydrophobicContact CZ2-CB 3.88Å; W848-E850 HydrophobicContact CZ2-CG 4.2Å; W848-E850 HydrophobicContact CZ3-CB 4.29Å; W848-E850 HydrophobicContact CZ3-CG 3.73Å; E850-K853 HydrophobicContact CB-CB 3.8Å; E850-K853 HydrophobicContact CB-CG 3.66Å; E850-K853 HydrophobicContact CG-CB 4.4Å; E850-K853 HydrophobicContact CG-CG 4.17Å; E850-S933 WeakPolarHBondContact O-CB 3.47Å; E850-S933 PolarHBondContact O-OG 2.99Å; E850-M943 VanDerWaalsContact O-CE 3.25Å; E850-M943 WeakPolarHBondContact O-CE 3.33Å
851	S	96.3	Very high	98.1	Very high	58 Å²	58	27.4 Å²	27.4	41%	0.406	13%	0.134	S	C	.	.	S	Bend	trans	-131.2	132.7	175.1	-172.7	0	0	0	0	109.9	K853 K935	S851-K853 PolarHBondContact O-N 3.16Å; S851-K935 WeakPolarHBondContact OG-CE 3.36Å
852	H	97.1	Very high	98.1	Very high	66 Å²	66	28.7 Å²	28.7	31%	0.306	15%	0.146	S	C	.	.	S	Bend	trans	51.9	45.1	-177.2	-55	118.4	0	0	0	112.3	D775 V776 D781 S933	D775-H852 PolarHBondContact N-O 2.69Å; D775-H852 WeakPolarHBondContact O-CB 3.36Å; V776-H852 HydrophobicContact CG2-CB 3.96Å; D781-H852 IonicContact OD1-CD2 2.82Å; D781-H852 IonicContact OD2-CD2 3.1Å; D781-H852 IonicContact OD2-NE2 3.97Å; H852-S933 PolarHBondContact N-O 3.41Å; H852-S933 PolarHBondContact N-OG 3.29Å
853	K	97.5	Very high	98	Very high	54 Å²	54	29 Å²	29	24%	0.235	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	148.9	176.4	-62.9	-54.6	-175	-164.3	0	110.7	V772 Y773 D774 W848 E850 S851 R932 S933	V772-K853 HydrophobicContact CG1-CB 3.89Å; V772-K853 HydrophobicContact CG1-CD 3.85Å; V772-K853 HydrophobicContact CG1-CG 4.01Å; Y773-K853 CarbonylContact O-C 3.56Å; Y773-K853 VanDerWaalsContact O-CA 3.27Å; Y773-K853 WeakPolarHBondContact O-CA 3.46Å; D774-K853 IonicContact OD1-NZ 3.82Å; D774-K853 PolarHBondContact OD1-NZ 2.76Å; W848-K853 HydrophobicContact CH2-CB 4.03Å; W848-K853 HydrophobicContact CZ2-CB 3.94Å; E850-K853 HydrophobicContact CB-CB 3.8Å; E850-K853 HydrophobicContact CB-CG 3.66Å; E850-K853 HydrophobicContact CG-CB 4.4Å; E850-K853 HydrophobicContact CG-CG 4.17Å; S851-K853 PolarHBondContact O-N 3.16Å; K853-R932 CarbonylContact O-C 3.49Å; K853-R932 WeakPolarHBondContact O-CA 3.44Å; K853-S933 PolarHBondContact N-OG 2.67Å; K853-S933 PolarHBondContact O-N 3.46Å; K853-S933 VanDerWaalsContact O-N 3.08Å; K853-S933 PolarHBondContact O-OG 2.84Å; K853-S933 VanDerWaalsContact O-OG 3.09Å
854	M	98.1	Very high	97.8	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	119.4	170.8	-170.4	173.4	-168.7	0	0	110	T593 V772 Y773 D775 V785 K856 S929 L931 R932	T593-M854 HydrophobicContact CG2-CE 4.21Å; V772-M854 WeakPolarHBondContact CA-O 3.31Å; Y773-M854 PolarHBondContact N-O 3.29Å; Y773-M854 PolarHBondContact O-N 3.04Å; D775-M854 HydrophobicContact CB-CB 4.14Å; V785-M854 HydrophobicContact CG2-SD 4.1Å; M854-K856 HydrophobicContact CG-CG 4.33Å; M854-K856 WeakPolarHBondContact SD-CE 3.32Å; M854-S929 VanDerWaalsContact CE-OG 3.26Å; M854-S929 WeakPolarHBondContact CE-OG 3.17Å; M854-L931 CarbonylContact C-O 3.51Å; M854-L931 WeakPolarHBondContact CA-O 3.44Å; M854-R932 HydrophobicContact CB-CG 4.27Å; M854-R932 HydrophobicContact CE-CG 4.23Å; M854-R932 HydrophobicContact CG-CG 3.83Å; M854-R932 HydrophobicContact SD-CG 4.21Å
855	L	98.6	Very high	97.7	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	128.2	174.1	-179.6	68.7	0	0	0	109.5	F770 T771 V772 I821 V846 W848 L930 L931	F770-L855 HydrophobicContact CB-CD1 4.45Å; F770-L855 HydrophobicContact CD1-CD1 4.5Å; T771-L855 WeakPolarHBondContact O-CA 3.36Å; V772-L855 HydrophobicContact CG2-CD1 3.97Å; I821-L855 HydrophobicContact CD1-CD1 4.23Å; I821-L855 HydrophobicContact CD1-CD2 3.89Å; V846-L855 HydrophobicContact CG1-CD2 4.31Å; V846-L855 HydrophobicContact CG2-CD2 4.29Å; W848-L855 HydrophobicContact CE3-CD2 4.49Å; W848-L855 HydrophobicContact CH2-CB 3.69Å; W848-L855 HydrophobicContact CZ2-CB 4.33Å; W848-L855 HydrophobicContact CZ3-CB 3.89Å; W848-L855 HydrophobicContact CZ3-CD2 4.18Å; W848-L855 HydrophobicContact CZ3-CG 4.46Å; L855-L930 HydrophobicContact CD2-CB 4.33Å; L855-L930 HydrophobicContact CD2-CD1 4.27Å; L855-L930 HydrophobicContact CG-CB 4.28Å; L855-L930 HydrophobicContact CG-CD1 4.24Å; L855-L930 WeakPolarHBondContact O-CA 3.37Å; L855-L930 WeakPolarHBondContact O-CB 3.26Å; L855-L930 PolarHBondContact O-N 2.84Å; L855-L931 HydrophobicContact CB-CB 4.34Å; L855-L931 HydrophobicContact CD2-CD1 4.44Å; L855-L931 PolarHBondContact N-O 2.76Å; L855-L931 PolarHBondContact O-N 3.18Å
856	K	98.7	Very high	97.7	Very high	1 Å²	1	36.3 Å²	36.3	0%	0.004	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	164.6	173.7	-52.2	-161.9	-177	-170.5	0	110.8	F770 T771 Y773 H789 M854 E893 V927 L928 S929	F770-K856 WeakPolarHBondContact CA-O 3.37Å; T771-K856 PolarHBondContact N-O 2.87Å; T771-K856 PolarHBondContact O-N 2.92Å; Y773-K856 HydrophobicContact CD2-CD 4.23Å; Y773-K856 HydrophobicContact CD2-CG 4.04Å; Y773-K856 HydrophobicContact CE2-CB 4.11Å; Y773-K856 HydrophobicContact CE2-CD 3.92Å; Y773-K856 HydrophobicContact CE2-CG 3.92Å; H789-K856 PolarHBondContact NE2-NZ 2.77Å; M854-K856 HydrophobicContact CG-CG 4.33Å; M854-K856 WeakPolarHBondContact SD-CE 3.32Å; K856-E893 IonicContact NZ-OE2 2.67Å; K856-E893 PolarHBondContact NZ-OE2 2.89Å; K856-V927 HydrophobicContact CB-CG1 3.83Å; K856-V927 HydrophobicContact CD-CG1 3.77Å; K856-V927 HydrophobicContact CG-CG1 4.41Å; K856-L928 WeakPolarHBondContact CA-O 3.16Å; K856-S929 WeakPolarHBondContact CE-OG 3.43Å
857	V	98.7	Very high	97.7	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	134.6	166.6	59.5	0	0	0	0	110.2	Q769 F770 F859 V927 L928 L930 Y950	Q769-V857 CarbonylContact O-C 3.58Å; Q769-V857 VanDerWaalsContact O-CA 3.31Å; Q769-V857 WeakPolarHBondContact O-CA 3.48Å; F770-V857 HydrophobicContact CD1-CB 4.13Å; F770-V857 HydrophobicContact CD1-CG2 4.44Å; F770-V857 HydrophobicContact CE1-CB 4.11Å; F770-V857 HydrophobicContact CE1-CG2 4.31Å; V857-F859 HydrophobicContact CG1-CE2 3.85Å; V857-F859 HydrophobicContact CG1-CZ 4.11Å; V857-F859 HydrophobicContact CG2-CE1 4.49Å; V857-F859 HydrophobicContact CG2-CE2 4.04Å; V857-F859 HydrophobicContact CG2-CZ 3.85Å; V857-V927 WeakPolarHBondContact O-CA 3.08Å; V857-V927 WeakPolarHBondContact O-CG1 3.33Å; V857-L928 HydrophobicContact CG1-CB 3.82Å; V857-L928 HydrophobicContact CG1-CD2 4.41Å; V857-L928 PolarHBondContact N-O 3.4Å; V857-L928 PolarHBondContact O-N 3.39Å; V857-L930 HydrophobicContact CB-CD1 4.03Å; V857-L930 HydrophobicContact CG1-CD1 3.99Å; V857-L930 HydrophobicContact CG1-CD2 3.95Å; V857-L930 HydrophobicContact CG1-CG 4.13Å; V857-Y950 HydrophobicContact CG1-CE1 4.2Å; V857-Y950 HydrophobicContact CG1-CE2 4.46Å
858	E	98.7	Very high	97.7	Very high	4 Å²	4	37 Å²	37	2%	0.019	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	140	-172.9	-59.1	179.5	-167.8	0	0	111.8	N768 Q769 T771 Y773 R793 N925 V927	N768-E858 PolarHBondContact N-O 3.39Å; Q769-E858 HydrophobicContact CB-CB 4.32Å; Q769-E858 PolarHBondContact N-O 2.91Å; Q769-E858 VanDerWaalsContact N-O 3.14Å; Q769-E858 PolarHBondContact O-N 3.5Å; T771-E858 WeakPolarHBondContact CB-OE1 3.41Å; T771-E858 HydrophobicContact CG2-CG 4.34Å; T771-E858 WeakPolarHBondContact CG2-OE1 3.46Å; T771-E858 PolarHBondContact OG1-OE1 2.77Å; Y773-E858 PolarHBondContact OH-OE1 3.06Å; R793-E858 IonicContact CZ-OE1 3.69Å; R793-E858 IonicContact CZ-OE2 3.83Å; R793-E858 IonicContact NE-OE1 3.05Å; R793-E858 PolarHBondContact NE-OE1 2.92Å; R793-E858 IonicContact NE-OE2 2.86Å; R793-E858 PolarHBondContact NE-OE2 3.43Å; R793-E858 VanDerWaalsContact NE-OE2 3.09Å; R793-E858 IonicContact NH2-OE1 3.21Å; R793-E858 IonicContact NH2-OE2 3.01Å; R793-E858 PolarHBondContact NH2-OE2 3.15Å; E858-N925 PolarHBondContact OE2-ND2 3.35Å; E858-V927 HydrophobicContact CB-CG2 4.36Å; E858-V927 HydrophobicContact CG-CG1 4.09Å; E858-V927 HydrophobicContact CG-CG2 3.94Å
859	F	98.7	Very high	97.7	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	88.3	176.9	-53.9	-90.1	0	0	0	109.2	A767 N768 V857 L861 V911 N925 L926 Y950 L952	A767-F859 HydrophobicContact CB-CB 4.25Å; A767-F859 HydrophobicContact CB-CD1 4.03Å; N768-F859 HydrophobicContact CB-CE1 4.43Å; V857-F859 HydrophobicContact CG1-CE2 3.85Å; V857-F859 HydrophobicContact CG1-CZ 4.11Å; V857-F859 HydrophobicContact CG2-CE1 4.49Å; V857-F859 HydrophobicContact CG2-CE2 4.04Å; V857-F859 HydrophobicContact CG2-CZ 3.85Å; F859-L861 HydrophobicContact CB-CD2 4.48Å; F859-L861 WeakPolarHBondContact O-CG 3.48Å; F859-L861 PolarHBondContact O-N 2.88Å; F859-V911 HydrophobicContact CD2-CG2 3.59Å; F859-V911 HydrophobicContact CE2-CG1 4.04Å; F859-V911 HydrophobicContact CE2-CG2 3.72Å; F859-V911 HydrophobicContact CG-CG2 4.06Å; F859-V911 HydrophobicContact CZ-CG2 4.3Å; F859-N925 VanDerWaalsContact C-OD1 3.25Å; F859-N925 PolarHBondContact N-OD1 3.01Å; F859-N925 PolarHBondContact O-OD1 3.22Å; F859-L926 WeakPolarHBondContact CB-O 3.46Å; F859-L926 WeakPolarHBondContact CD2-O 3.5Å; F859-L926 PolarHBondContact N-O 2.81Å; F859-L926 PolarHBondContact O-N 2.9Å; F859-Y950 HydrophobicContact CE1-CE2 4.29Å; F859-Y950 AromaticContact CZ-CD2 3.94Å; F859-Y950 HydrophobicContact CZ-CD2 3.94Å; F859-Y950 AromaticContact CZ-CE2 3.62Å; F859-Y950 HydrophobicContact CZ-CE2 3.62Å; F859-L952 HydrophobicContact CD1-CD1 3.76Å; F859-L952 HydrophobicContact CD1-CD2 4.1Å; F859-L952 HydrophobicContact CE1-CD1 4.05Å; F859-L952 HydrophobicContact CE1-CD2 4.35Å; F859-L952 HydrophobicContact CG-CD1 4.27Å
860	P	98.4	Very high	97.8	Very high	5 Å²	5	31.6 Å²	31.6	3%	0.032	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	117.9	171.1	-17.3	33.7	0	0	0	110.4	A762 K765 P766	A762-P860 HydrophobicContact CB-CB 3.94Å; A762-P860 PolarHBondContact N-O 3.12Å; K765-P860 HydrophobicContact CB-CB 3.77Å; K765-P860 HydrophobicContact CB-CG 4.07Å; K765-P860 HydrophobicContact CD-CB 4.48Å; P766-P860 WeakPolarHBondContact O-CD 3.49Å
861	L	98.3	Very high	97.9	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.164	C	C	.	.	B	Isolated β-bridge	trans	-110.3	148.6	-171.2	-60.1	169.8	0	0	0	112.1	L760 I761 F859 L863 L902 V909 N924 L926	L760-L861 CarbonylContact O-C 3.51Å; L760-L861 VanDerWaalsContact O-CA 3.29Å; L760-L861 WeakPolarHBondContact O-CA 3.34Å; I761-L861 HydrophobicContact CD1-CD2 4.35Å; F859-L861 HydrophobicContact CB-CD2 4.48Å; F859-L861 WeakPolarHBondContact O-CG 3.48Å; F859-L861 PolarHBondContact O-N 2.88Å; L861-L863 HydrophobicContact CB-CB 4.33Å; L861-L863 HydrophobicContact CB-CD1 4.43Å; L861-L863 HydrophobicContact CB-CG 4.39Å; L861-L863 HydrophobicContact CD1-CD1 4.4Å; L861-L863 PolarHBondContact O-N 3.31Å; L861-L902 HydrophobicContact CB-CD2 4.34Å; L861-L902 HydrophobicContact CD1-CB 4.07Å; L861-L902 HydrophobicContact CD1-CD2 3.87Å; L861-V909 HydrophobicContact CD1-CB 3.87Å; L861-V909 HydrophobicContact CD1-CG1 4.24Å; L861-V909 HydrophobicContact CD2-CB 3.98Å; L861-V909 HydrophobicContact CD2-CG1 3.89Å; L861-V909 HydrophobicContact CD2-CG2 4.06Å; L861-N924 PolarHBondContact N-O 3.15Å; L861-N924 VanDerWaalsContact O-CB 3.29Å; L861-N924 WeakPolarHBondContact O-CB 3.47Å; L861-N924 PolarHBondContact O-ND2 2.87Å; L861-L926 HydrophobicContact CD1-CB 4.31Å
862	S	97.4	Very high	98	Very high	53 Å²	53	27.9 Å²	27.9	37%	0.371	15%	0.146	S	C	.	.	S	Bend	trans	-85.2	49.3	170.7	-172.5	0	0	0	0	111.4	R758 L760 I761	R758-S862 PolarHBondContact NH2-O 3.48Å; R758-S862 VanDerWaalsContact NH2-O 3.07Å; L760-S862 PolarHBondContact O-N 2.92Å; I761-S862 WeakPolarHBondContact O-CB 3.28Å
863	L	96.4	Very high	98	Very high	7 Å²	7	25 Å²	25	4%	0.037	13%	0.133	C	C	.	.			trans	-127.8	142.9	179.7	-65.7	175.2	0	0	0	110.1	L760 L861 L902 E904 V909 N924	L760-L863 HydrophobicContact CD2-CD2 4.16Å; L861-L863 HydrophobicContact CB-CB 4.33Å; L861-L863 HydrophobicContact CB-CD1 4.43Å; L861-L863 HydrophobicContact CB-CG 4.39Å; L861-L863 HydrophobicContact CD1-CD1 4.4Å; L861-L863 PolarHBondContact O-N 3.31Å; L863-L902 HydrophobicContact CB-CD2 4.18Å; L863-L902 HydrophobicContact CB-CG 4.43Å; L863-L902 WeakPolarHBondContact CD1-O 3.37Å; L863-E904 WeakPolarHBondContact CA-OE1 3.37Å; L863-E904 HydrophobicContact CB-CG 4.42Å; L863-E904 HydrophobicContact CD2-CB 4.45Å; L863-E904 HydrophobicContact CD2-CG 3.92Å; L863-V909 HydrophobicContact CD1-CB 4.27Å; L863-V909 HydrophobicContact CD1-CG2 4.04Å; L863-N924 VanDerWaalsContact O-CB 3.3Å; L863-N924 WeakPolarHBondContact O-CB 3.47Å
864	Q	96	Very high	98.1	Very high	174 Å²	174	22.8 Å²	22.8	81%	0.813	12%	0.123	S	C	*	.			trans	-121.6	111.3	177.8	-171.5	170.6	4.8	0	0	111.3	E904	Q864-E904 PolarHBondContact N-OE1 2.83Å
865	S	96.7	Very high	98.1	Very high	28 Å²	28	23 Å²	23	20%	0.196	13%	0.126	C	C	.	.			trans	-139.7	147.7	171.5	178.5	0	0	0	0	110.2	E867 T881 S903	S865-E867 WeakPolarHBondContact CB-O 3.41Å; S865-E867 PolarHBondContact OG-N 2.88Å; S865-E867 VanDerWaalsContact OG-N 3.15Å; S865-E867 PolarHBondContact OG-O 2.96Å; S865-T881 PolarHBondContact O-OG1 2.82Å; S865-S903 WeakPolarHBondContact CB-O 3.39Å
866	T	97.2	Very high	98.1	Very high	96 Å²	96	24 Å²	24	59%	0.589	13%	0.131	S	C	*	.	S	Bend	trans	-79.6	-9.2	173.2	52.3	0	0	0	0	112.9	P880 T881	T866-P880 WeakPolarHBondContact O-CA 3.4Å; T866-T881 WeakPolarHBondContact CA-OG1 3.41Å; T866-T881 PolarHBondContact O-N 3.13Å; T866-T881 PolarHBondContact O-OG1 2.71Å
867	E	97.9	Very high	98.1	Very high	64 Å²	64	24.7 Å²	24.7	30%	0.299	14%	0.135	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	148	-177.6	57.9	-174.3	-173	0	0	111.7	S865 R878 R879	S865-E867 WeakPolarHBondContact CB-O 3.41Å; S865-E867 PolarHBondContact OG-N 2.88Å; S865-E867 VanDerWaalsContact OG-N 3.15Å; S865-E867 PolarHBondContact OG-O 2.96Å; E867-R878 HydrophobicContact CB-CB 4.36Å; E867-R878 VanDerWaalsContact OE1-CD 3.3Å; E867-R878 WeakPolarHBondContact OE1-CD 3.43Å; E867-R878 IonicContact OE1-CZ 3.62Å; E867-R878 IonicContact OE1-NE 3.67Å; E867-R878 IonicContact OE1-NH1 3.44Å; E867-R878 PolarHBondContact OE1-NH1 3.02Å; E867-R878 WeakPolarHBondContact OE2-CB 3.35Å; E867-R878 IonicContact OE2-NE 2.71Å; E867-R878 IonicContact OE2-NH1 3.72Å; E867-R879 CarbonylContact C-O 3.52Å; E867-R879 VanDerWaalsContact CA-O 3.27Å; E867-R879 WeakPolarHBondContact CA-O 3.29Å
868	A	98.5	Very high	98	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	146.4	168.9	0	0	0	0	0	109	Y870 R878 R879 T881 D901 L902 C921	A868-Y870 HydrophobicContact CB-CE2 3.61Å; A868-Y870 WeakPolarHBondContact CB-OH 3.36Å; A868-Y870 WeakPolarHBondContact O-CD2 3.44Å; A868-Y870 VanDerWaalsContact O-CE2 3.25Å; A868-Y870 WeakPolarHBondContact O-CE2 3.4Å; A868-R878 WeakPolarHBondContact O-CA 3.11Å; A868-R879 PolarHBondContact N-O 2.99Å; A868-R879 PolarHBondContact O-N 2.97Å; A868-T881 HydrophobicContact CB-CG2 3.93Å; A868-D901 CarbonylContact C-O 3.39Å; A868-D901 WeakPolarHBondContact CA-O 3.34Å; A868-L902 HydrophobicContact CB-CD1 4.29Å; A868-C921 HydrophobicContact CB-CB 3.83Å
869	T	98.5	Very high	98	Very high	13 Å²	13	32.6 Å²	32.6	8%	0.08	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	134.7	-177.6	-52.8	0	0	0	0	110	H876 V877 R878 W899 A900 D901 F959	T869-H876 HydrophobicContact CG2-CB 3.87Å; T869-V877 WeakPolarHBondContact CA-O 3.37Å; T869-R878 HydrophobicContact CG2-CG 4.31Å; T869-W899 HydrophobicContact CG2-CH2 3.77Å; T869-W899 HydrophobicContact CG2-CZ3 3.91Å; T869-A900 CarbonylContact O-C 3.57Å; T869-A900 WeakPolarHBondContact O-CA 3.39Å; T869-D901 PolarHBondContact N-O 3.29Å; T869-D901 PolarHBondContact O-N 3.3Å; T869-F959 HydrophobicContact CG2-CE1 3.93Å; T869-F959 HydrophobicContact CG2-CE2 4.49Å; T869-F959 HydrophobicContact CG2-CZ 3.74Å
870	Y	98.8	Very high	98	Very high	3 Å²	3	34.3 Å²	34.3	1%	0.012	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	131.8	-175.1	-60.7	-89.3	0	0	0	110.2	A868 I872 H876 V877 R879 V894 A896 A900 Y919 C921	A868-Y870 HydrophobicContact CB-CE2 3.61Å; A868-Y870 WeakPolarHBondContact CB-OH 3.36Å; A868-Y870 WeakPolarHBondContact O-CD2 3.44Å; A868-Y870 VanDerWaalsContact O-CE2 3.25Å; A868-Y870 WeakPolarHBondContact O-CE2 3.4Å; Y870-I872 PolarHBondContact O-N 3.19Å; Y870-H876 CarbonylContact O-C 3.52Å; Y870-H876 WeakPolarHBondContact O-CA 3.37Å; Y870-H876 VanDerWaalsContact O-CB 3.26Å; Y870-H876 WeakPolarHBondContact O-CB 3.38Å; Y870-V877 PolarHBondContact N-O 2.84Å; Y870-V877 PolarHBondContact O-N 2.83Å; Y870-R879 HydrophobicContact CD2-CB 4.05Å; Y870-R879 HydrophobicContact CD2-CG 3.89Å; Y870-R879 HydrophobicContact CE2-CB 3.75Å; Y870-R879 HydrophobicContact CE2-CG 4.1Å; Y870-V894 HydrophobicContact CD1-CG2 4.18Å; Y870-V894 HydrophobicContact CE1-CG2 3.83Å; Y870-V894 HydrophobicContact CE2-CG2 4.42Å; Y870-A896 HydrophobicContact CD1-CB 3.87Å; Y870-A896 HydrophobicContact CG-CB 4.35Å; Y870-A900 HydrophobicContact CD1-CB 3.5Å; Y870-A900 VanDerWaalsContact CD1-CB 3.5Å; Y870-A900 HydrophobicContact CE1-CB 3.64Å; Y870-A900 HydrophobicContact CG-CB 4.46Å; Y870-Y919 HydrophobicContact CD1-CG 4.48Å; Y870-Y919 HydrophobicContact CE1-CG 4.36Å; Y870-C921 WeakPolarHBondContact OH-CB 3.21Å; Y870-C921 PolarHBondContact OH-N 3.11Å
871	E	98.7	Very high	98	Very high	10 Å²	10	34.4 Å²	34.4	5%	0.047	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	134.3	172.6	-163	-166.6	-172.8	0	0	110.9	A896 Q897 K898 W899	E871-A896 WeakPolarHBondContact O-CA 3.29Å; E871-Q897 HydrophobicContact CB-CB 4.13Å; E871-Q897 HydrophobicContact CG-CB 4.07Å; E871-Q897 PolarHBondContact O-N 2.8Å; E871-Q897 VanDerWaalsContact OE2-CB 3.29Å; E871-Q897 WeakPolarHBondContact OE2-CB 3.36Å; E871-K898 WeakPolarHBondContact OE1-CE 3.49Å; E871-K898 VanDerWaalsContact OE2-CA 3.27Å; E871-K898 WeakPolarHBondContact OE2-CA 3.42Å; E871-K898 WeakPolarHBondContact OE2-CB 3.36Å; E871-K898 VanDerWaalsContact OE2-CG 3.29Å; E871-K898 WeakPolarHBondContact OE2-CG 3.3Å; E871-K898 PolarHBondContact OE2-N 2.77Å; E871-W899 HydrophobicContact CB-CD2 3.98Å; E871-W899 HydrophobicContact CB-CG 4.05Å; E871-W899 HydrophobicContact CB-CZ2 4.05Å; E871-W899 HydrophobicContact CG-CZ2 4.35Å; E871-W899 PolarHBondContact N-O 2.75Å; E871-W899 VanDerWaalsContact N-O 3.09Å
872	I	98.6	Very high	97.9	Very high	7 Å²	7	37.1 Å²	37.1	4%	0.036	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	-179.3	165.9	61.5	159.7	0	0	0	108.9	S446 Q448 I484 Y870 F874 G875 V877	S446-I872 WeakPolarHBondContact OG-CD1 3.48Å; Q448-I872 HydrophobicContact CB-CD1 4.48Å; I484-I872 HydrophobicContact CD1-CD1 4.14Å; Y870-I872 PolarHBondContact O-N 3.19Å; I872-F874 PolarHBondContact O-N 2.96Å; I872-F874 VanDerWaalsContact O-N 3.17Å; I872-G875 PolarHBondContact N-O 2.69Å; I872-G875 PolarHBondContact O-N 2.73Å; I872-V877 HydrophobicContact CD1-CG1 3.64Å; I872-V877 HydrophobicContact CG1-CG1 4.2Å; I872-V877 HydrophobicContact CG2-CG2 3.88Å
873	Q	98.5	Very high	97.9	Very high	5 Å²	5	39.5 Å²	39.5	2%	0.023	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	123.8	176.2	-63.7	84.8	-4.2	0	0	110	C408 P410 L415 S446 Q448 I452 G875	C408-Q873 VanDerWaalsContact C-NE2 3.31Å; C408-Q873 PolarHBondContact O-NE2 3.38Å; P410-Q873 WeakPolarHBondContact O-CG 3.2Å; P410-Q873 PolarHBondContact O-NE2 2.54Å; L415-Q873 HydrophobicContact CD1-CB 4.43Å; L415-Q873 HydrophobicContact CD1-CG 3.75Å; S446-Q873 PolarHBondContact OG-OE1 3.03Å; Q448-Q873 WeakPolarHBondContact CB-O 3.27Å; Q448-Q873 WeakPolarHBondContact CG-O 3.37Å; I452-Q873 HydrophobicContact CD1-CB 4.3Å; Q873-G875 PolarHBondContact O-N 3.32Å
874	F	98.5	Very high	97.9	Very high	8 Å²	8	45.2 Å²	45.2	4%	0.035	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.9	31.5	176.9	-54.3	-57.5	0	0	0	115.6	G412 I416 Q448 I452 I872 E1011 Y1027 I1078	G412-F874 VanDerWaalsContact O-CE2 3.29Å; G412-F874 WeakPolarHBondContact O-CE2 3.38Å; I416-F874 HydrophobicContact CD1-CE2 3.55Å; I416-F874 HydrophobicContact CD1-CZ 3.75Å; I416-F874 HydrophobicContact CG1-CE2 4.22Å; Q448-F874 HydrophobicContact CG-CB 4.32Å; I452-F874 HydrophobicContact CD1-CD2 4.03Å; I452-F874 HydrophobicContact CD1-CE2 4.26Å; I452-F874 HydrophobicContact CG1-CD2 4.14Å; I452-F874 HydrophobicContact CG1-CE2 4.32Å; I872-F874 PolarHBondContact O-N 2.96Å; I872-F874 VanDerWaalsContact O-N 3.17Å; F874-E1011 HydrophobicContact CE1-CB 4.15Å; F874-E1011 HydrophobicContact CE1-CG 3.91Å; F874-Y1027 HydrophobicContact CB-CD2 3.93Å; F874-Y1027 HydrophobicContact CB-CE2 4.47Å; F874-Y1027 HydrophobicContact CB-CG 4.08Å; F874-Y1027 AromaticContact CD1-CD1 3.47Å; F874-Y1027 HydrophobicContact CD1-CD1 3.47Å; F874-Y1027 VanDerWaalsContact CD1-CD1 3.47Å; F874-Y1027 HydrophobicContact CD1-CD2 4.14Å; F874-Y1027 AromaticContact CD1-CE1 3.84Å; F874-Y1027 HydrophobicContact CD1-CE1 3.84Å; F874-Y1027 HydrophobicContact CD1-CE2 4.49Å; F874-Y1027 AromaticContact CD1-CG 3.62Å; F874-Y1027 HydrophobicContact CD1-CG 3.62Å; F874-Y1027 HydrophobicContact CE1-CD1 4.01Å; F874-Y1027 HydrophobicContact CE1-CE1 4.36Å; F874-Y1027 HydrophobicContact CG-CG 4.28Å; F874-I1078 HydrophobicContact CB-CD1 3.89Å; F874-I1078 HydrophobicContact CB-CG1 3.8Å; F874-I1078 HydrophobicContact CD2-CD1 3.31Å; F874-I1078 HydrophobicContact CD2-CG1 3.85Å; F874-I1078 HydrophobicContact CE2-CD1 4Å; F874-I1078 HydrophobicContact CG-CD1 3.8Å; F874-I1078 HydrophobicContact CG-CG1 3.84Å
875	G	98.2	Very high	98	Very high	5 Å²	5	40.1 Å²	40.1	5%	0.052	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	167.2	-156	177	0	0	0	0	0	113.2	I872 Q873 F1076	I872-G875 PolarHBondContact N-O 2.69Å; I872-G875 PolarHBondContact O-N 2.73Å; Q873-G875 PolarHBondContact O-N 3.32Å; G875-F1076 VanDerWaalsContact CA-CD1 3.5Å
876	H	98.4	Very high	98	Very high	21 Å²	21	41.5 Å²	41.5	10%	0.097	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	155.6	179.4	54.3	-93.8	0	0	0	111.6	T869 Y870 W899 F959 S1029 G1030 F1076	T869-H876 HydrophobicContact CG2-CB 3.87Å; Y870-H876 CarbonylContact O-C 3.52Å; Y870-H876 WeakPolarHBondContact O-CA 3.37Å; Y870-H876 VanDerWaalsContact O-CB 3.26Å; Y870-H876 WeakPolarHBondContact O-CB 3.38Å; H876-W899 HydrophobicContact CB-CH2 3.83Å; H876-W899 HydrophobicContact CB-CZ2 4.03Å; H876-F959 AromaticContact CD2-CZ 3.74Å; H876-F959 AromaticContact CE1-CE2 3.87Å; H876-F959 AromaticContact CE1-CZ 3.63Å; H876-F959 AromaticContact ND1-CE2 3.92Å; H876-F959 AromaticContact ND1-CZ 3.96Å; H876-F959 AromaticContact NE2-CZ 3.48Å; H876-F959 WeakPolarHBondContact NE2-CZ 3.41Å; H876-S1029 PolarHBondContact CE1-O 3Å; H876-S1029 PolarHBondContact ND1-O 3.21Å; H876-G1030 PolarHBondContact CE1-O 3.25Å; H876-F1076 AromaticContact CD2-CZ 3.88Å; H876-F1076 AromaticContact CE1-CE1 3.46Å; H876-F1076 VanDerWaalsContact CE1-CE1 3.46Å; H876-F1076 WeakPolarHBondContact CE1-CE1 3.25Å; H876-F1076 AromaticContact CE1-CZ 3.41Å; H876-F1076 VanDerWaalsContact CE1-CZ 3.41Å; H876-F1076 WeakPolarHBondContact CE1-CZ 3.27Å; H876-F1076 AromaticContact ND1-CE1 3.49Å; H876-F1076 WeakPolarHBondContact ND1-CE1 3.48Å; H876-F1076 AromaticContact ND1-CZ 3.73Å; H876-F1076 AromaticContact NE2-CZ 3.51Å
877	V	98.3	Very high	97.9	Very high	16 Å²	16	40.3 Å²	40.3	10%	0.097	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	152.6	176.3	-65.5	0	0	0	0	110.6	I484 T869 Y870 I872 R879	I484-V877 HydrophobicContact CG2-CG1 4.03Å; T869-V877 WeakPolarHBondContact CA-O 3.37Å; Y870-V877 PolarHBondContact N-O 2.84Å; Y870-V877 PolarHBondContact O-N 2.83Å; I872-V877 HydrophobicContact CD1-CG1 3.64Å; I872-V877 HydrophobicContact CG1-CG1 4.2Å; I872-V877 HydrophobicContact CG2-CG2 3.88Å; V877-R879 HydrophobicContact CG2-CG 4.38Å
878	R	97.7	Very high	97.9	Very high	161 Å²	161	38.6 Å²	38.6	61%	0.608	19%	0.188	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-103.8	128.1	175.6	-65.3	-177.5	-71.4	173.6	-12.9	109.1	E867 A868 T869	E867-R878 HydrophobicContact CB-CB 4.36Å; E867-R878 VanDerWaalsContact OE1-CD 3.3Å; E867-R878 WeakPolarHBondContact OE1-CD 3.43Å; E867-R878 IonicContact OE1-CZ 3.62Å; E867-R878 IonicContact OE1-NE 3.67Å; E867-R878 IonicContact OE1-NH1 3.44Å; E867-R878 PolarHBondContact OE1-NH1 3.02Å; E867-R878 WeakPolarHBondContact OE2-CB 3.35Å; E867-R878 IonicContact OE2-NE 2.71Å; E867-R878 IonicContact OE2-NH1 3.72Å; A868-R878 WeakPolarHBondContact O-CA 3.11Å; T869-R878 HydrophobicContact CG2-CG 4.31Å
879	R	98.1	Very high	97.7	Very high	9 Å²	9	40.8 Å²	40.8	3%	0.034	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	145.2	178.9	-55.2	-179	179.5	125.6	-8.1	110	E582 E867 A868 Y870 V877 K891 C895	E582-R879 IonicContact OE1-CZ 2.96Å; E582-R879 IonicContact OE1-NE 2.81Å; E582-R879 PolarHBondContact OE1-NE 3.22Å; E582-R879 IonicContact OE1-NH2 2.91Å; E582-R879 IonicContact OE2-CZ 3.07Å; E582-R879 IonicContact OE2-NE 3.59Å; E582-R879 PolarHBondContact OE2-NE 3.43Å; E582-R879 IonicContact OE2-NH2 3.62Å; E582-R879 PolarHBondContact OE2-NH2 3.49Å; E867-R879 CarbonylContact C-O 3.52Å; E867-R879 VanDerWaalsContact CA-O 3.27Å; E867-R879 WeakPolarHBondContact CA-O 3.29Å; A868-R879 PolarHBondContact N-O 2.99Å; A868-R879 PolarHBondContact O-N 2.97Å; Y870-R879 HydrophobicContact CD2-CB 4.05Å; Y870-R879 HydrophobicContact CD2-CG 3.89Å; Y870-R879 HydrophobicContact CE2-CB 3.75Å; Y870-R879 HydrophobicContact CE2-CG 4.1Å; V877-R879 HydrophobicContact CG2-CG 4.38Å; R879-K891 HydrophobicContact CB-CD 4.39Å; R879-K891 HydrophobicContact CG-CD 4.46Å; R879-C895 VanDerWaalsContact CZ-O 3.28Å; R879-C895 PolarHBondContact NH1-O 2.94Å; R879-C895 PolarHBondContact NH2-O 3.46Å
880	P	98.2	Very high	97.6	Very high	36 Å²	36	40.7 Å²	40.7	23%	0.234	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	143.8	-176.9	-21.1	32.3	0	0	0	112.6	T866 H882 D888	T866-P880 WeakPolarHBondContact O-CA 3.4Å; P880-H882 VanDerWaalsContact C-N 3.29Å; P880-D888 HydrophobicContact CB-CB 4.29Å; P880-D888 HydrophobicContact CG-CB 4.26Å
881	T	98.3	Very high	97.5	Very high	7 Å²	7	42.5 Å²	42.5	4%	0.043	21%	0.212	C	C	.	.	S	Bend	trans	-92.7	9.8	169.8	58.2	0	0	0	0	112.3	S865 T866 A868 L902 C921 Y922 G923	S865-T881 PolarHBondContact O-OG1 2.82Å; T866-T881 WeakPolarHBondContact CA-OG1 3.41Å; T866-T881 PolarHBondContact O-N 3.13Å; T866-T881 PolarHBondContact O-OG1 2.71Å; A868-T881 HydrophobicContact CB-CG2 3.93Å; T881-L902 HydrophobicContact CG2-CD1 4.04Å; T881-C921 HydrophobicContact CG2-CB 4.2Å; T881-Y922 WeakPolarHBondContact O-CA 3.49Å; T881-Y922 WeakPolarHBondContact O-CD2 3.46Å; T881-G923 PolarHBondContact O-N 3.02Å
882	H	97.5	Very high	97.4	Very high	56 Å²	56	43.2 Å²	43.2	26%	0.259	22%	0.215	S	C	.	.	S	Bend	trans	-131.7	171.6	-176.5	60.4	54.6	0	0	0	111	P880 N884 D888	P880-H882 VanDerWaalsContact C-N 3.29Å; H882-N884 PolarHBondContact CE1-ND2 3.14Å; H882-N884 PolarHBondContact ND1-ND2 3.38Å; H882-D888 IonicContact CE1-OD2 3.51Å; H882-D888 IonicContact ND1-OD2 3.62Å; H882-D888 WeakPolarHBondContact O-CB 3.49Å
883	R	96	Very high	97.3	Very high	103 Å²	103	42.9 Å²	42.9	39%	0.389	21%	0.213	S	C	.	.			trans	-122.1	47	-175	-64.7	-174.8	-174.9	-177.6	-0.4	112.1	S889 Y922	R883-S889 WeakPolarHBondContact CB-OG 3.36Å; R883-Y922 HydrophobicContact CG-CD2 4.23Å; R883-Y922 HydrophobicContact CG-CE2 3.98Å
884	N	96.8	Very high	97.3	Very high	128 Å²	128	42.8 Å²	42.8	68%	0.684	21%	0.212	S	C	*	.	S	Bend	trans	-73	-37.8	-171	-73	-12.5	0	0	0	112.5	H882 D888	H882-N884 PolarHBondContact CE1-ND2 3.14Å; H882-N884 PolarHBondContact ND1-ND2 3.38Å; N884-D888 PolarHBondContact N-OD2 3.27Å
885	T	97.6	Very high	97.3	Very high	67 Å²	67	42.7 Å²	42.7	41%	0.411	21%	0.213	S	C	.	.	S	Bend	trans	-113.3	164.2	176.2	73.5	0	0	0	0	111.2	W887 D888 S889	T885-W887 PolarHBondContact O-N 2.89Å; T885-W887 PolarHBondContact OG1-N 2.82Å; T885-D888 PolarHBondContact N-OD2 2.93Å; T885-D888 PolarHBondContact O-N 2.82Å; T885-D888 VanDerWaalsContact O-N 3.12Å; T885-D888 PolarHBondContact OG1-N 2.84Å; T885-D888 PolarHBondContact OG1-OD1 2.9Å; T885-D888 PolarHBondContact OG1-OD2 2.72Å; T885-D888 VanDerWaalsContact OG1-OD2 3.1Å; T885-S889 PolarHBondContact O-N 3.09Å; T885-S889 PolarHBondContact O-OG 3.45Å
886	S	97	Very high	97.3	Very high	56 Å²	56	42.5 Å²	42.5	39%	0.392	21%	0.211	S	C	.	.	H	α-helix	trans	-59.1	-29.4	171.8	51.1	0	0	0	0	112.8	N472 A890	N472-S886 PolarHBondContact ND2-O 2.81Å; N472-S886 WeakPolarHBondContact OD1-CB 3.42Å; N472-S886 PolarHBondContact OD1-OG 2.81Å; S886-A890 PolarHBondContact O-N 2.81Å; S886-A890 VanDerWaalsContact O-N 3.14Å
887	W	96.2	Very high	97.3	Very high	72 Å²	72	41.7 Å²	41.7	27%	0.273	21%	0.207	S	C	.	.	H	α-helix	trans	-74.2	-29.2	176.2	-67.2	91.4	0	0	0	113	N472 F474 W579 T885 K891	N472-W887 HydrophobicContact CB-CD2 3.84Å; N472-W887 HydrophobicContact CB-CE3 4.04Å; N472-W887 HydrophobicContact CB-CH2 3.88Å; N472-W887 HydrophobicContact CB-CZ2 3.64Å; N472-W887 HydrophobicContact CB-CZ3 4.07Å; N472-W887 PolarHBondContact ND2-N 2.94Å; F474-W887 HydrophobicContact CD2-CH2 4.45Å; W579-W887 HydrophobicContact CH2-CE3 4.47Å; W579-W887 AromaticContact CH2-CH2 3.97Å; W579-W887 HydrophobicContact CH2-CH2 3.97Å; W579-W887 AromaticContact CH2-CZ3 3.9Å; W579-W887 HydrophobicContact CH2-CZ3 3.9Å; W579-W887 HydrophobicContact CZ3-CH2 4.49Å; T885-W887 PolarHBondContact O-N 2.89Å; T885-W887 PolarHBondContact OG1-N 2.82Å; W887-K891 PolarHBondContact O-NZ 3.33Å
888	D	96.6	Very high	97.3	Very high	27 Å²	27	41.2 Å²	41.2	14%	0.144	20%	0.203	C	C	.	.	H	α-helix	trans	-78	-44.4	174.5	-49.5	-26	0	0	0	109.7	P880 H882 N884 T885 A890 K891	P880-D888 HydrophobicContact CB-CB 4.29Å; P880-D888 HydrophobicContact CG-CB 4.26Å; H882-D888 IonicContact CE1-OD2 3.51Å; H882-D888 IonicContact ND1-OD2 3.62Å; H882-D888 WeakPolarHBondContact O-CB 3.49Å; N884-D888 PolarHBondContact N-OD2 3.27Å; T885-D888 PolarHBondContact N-OD2 2.93Å; T885-D888 PolarHBondContact O-N 2.82Å; T885-D888 VanDerWaalsContact O-N 3.12Å; T885-D888 PolarHBondContact OG1-N 2.84Å; T885-D888 PolarHBondContact OG1-OD1 2.9Å; T885-D888 PolarHBondContact OG1-OD2 2.72Å; T885-D888 VanDerWaalsContact OG1-OD2 3.1Å; D888-A890 PolarHBondContact O-N 3.36Å; D888-K891 PolarHBondContact O-N 3.35Å
889	S	95.6	Very high	97.4	Very high	46 Å²	46	33.6 Å²	33.6	32%	0.322	18%	0.175	S	C	.	.	H	α-helix	trans	-56.7	-34.6	176	-66	0	0	0	0	112.6	R883 T885 K891 Y892	R883-S889 WeakPolarHBondContact CB-OG 3.36Å; T885-S889 PolarHBondContact O-N 3.09Å; T885-S889 PolarHBondContact O-OG 3.45Å; S889-K891 PolarHBondContact O-N 2.81Å; S889-Y892 WeakPolarHBondContact O-CD1 3.32Å
890	A	96.2	Very high	97.4	Very high	12 Å²	12	33.2 Å²	33.2	10%	0.099	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-23.2	176.9	0	0	0	0	0	113.5	Y584 E586 S886 D888 Y892	Y584-A890 HydrophobicContact CE1-CB 4.14Å; Y584-A890 PolarHBondContact OH-O 2.91Å; E586-A890 HydrophobicContact CB-CB 4.3Å; E586-A890 HydrophobicContact CG-CB 3.74Å; S886-A890 PolarHBondContact O-N 2.81Å; S886-A890 VanDerWaalsContact O-N 3.14Å; D888-A890 PolarHBondContact O-N 3.36Å; A890-Y892 VanDerWaalsContact O-CD1 3.28Å; A890-Y892 WeakPolarHBondContact O-CD1 3.46Å; A890-Y892 WeakPolarHBondContact O-CE1 3.41Å; A890-Y892 PolarHBondContact O-N 3.43Å; A890-Y892 VanDerWaalsContact O-N 3.13Å
891	K	96.3	Very high	97.4	Very high	41 Å²	41	31.5 Å²	31.5	18%	0.178	16%	0.162	C	C	.	.			trans	-88.4	44.4	-177.5	-64	-174.9	-173.6	73.9	0	112.7	Y584 R879 W887 D888 S889 E893 V894	Y584-K891 HydrophobicContact CD1-CG 4.14Å; Y584-K891 HydrophobicContact CD2-CG 4.39Å; Y584-K891 HydrophobicContact CE1-CG 3.93Å; Y584-K891 HydrophobicContact CE2-CG 4.21Å; Y584-K891 HydrophobicContact CG-CG 4.37Å; R879-K891 HydrophobicContact CB-CD 4.39Å; R879-K891 HydrophobicContact CG-CD 4.46Å; W887-K891 PolarHBondContact O-NZ 3.33Å; D888-K891 PolarHBondContact O-N 3.35Å; S889-K891 PolarHBondContact O-N 2.81Å; K891-E893 VanDerWaalsContact C-N 3.28Å; K891-V894 HydrophobicContact CB-CG1 3.72Å; K891-V894 HydrophobicContact CG-CG1 4.24Å
892	Y	95.8	Very high	97.4	Very high	25 Å²	25	31.2 Å²	31.2	10%	0.098	16%	0.16	C	C	.	.	S	Bend	trans	-77.3	-16	175.9	58.2	-94.3	0	0	0	113.3	V785 D787 S889 A890 S920	V785-Y892 HydrophobicContact CG1-CE2 4.09Å; V785-Y892 WeakPolarHBondContact O-CE2 3.31Å; V785-Y892 PolarHBondContact O-OH 3.42Å; D787-Y892 HydrophobicContact CB-CD1 3.83Å; D787-Y892 HydrophobicContact CB-CE1 3.83Å; D787-Y892 HydrophobicContact CB-CE2 4.47Å; D787-Y892 HydrophobicContact CB-CG 4.2Å; S889-Y892 WeakPolarHBondContact O-CD1 3.32Å; A890-Y892 VanDerWaalsContact O-CD1 3.28Å; A890-Y892 WeakPolarHBondContact O-CD1 3.46Å; A890-Y892 WeakPolarHBondContact O-CE1 3.41Å; A890-Y892 PolarHBondContact O-N 3.43Å; A890-Y892 VanDerWaalsContact O-N 3.13Å; Y892-S920 WeakPolarHBondContact O-CB 3.42Å
893	E	97.6	Very high	97.4	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.156	C	C	.	.	S	Bend	trans	-142.8	130	170	-174.4	76.5	-164	0	0	107.2	Y584 N589 Y592 V785 K856 K891 G918 S929	Y584-E893 PolarHBondContact OH-O 3.27Å; N589-E893 HydrophobicContact CB-CB 4.1Å; N589-E893 HydrophobicContact CB-CG 4.31Å; Y592-E893 HydrophobicContact CD2-CG 3.99Å; Y592-E893 HydrophobicContact CE2-CG 4.43Å; V785-E893 HydrophobicContact CG1-CB 4.19Å; V785-E893 HydrophobicContact CG1-CG 4.27Å; K856-E893 IonicContact NZ-OE2 2.67Å; K856-E893 PolarHBondContact NZ-OE2 2.89Å; K891-E893 VanDerWaalsContact C-N 3.28Å; E893-G918 WeakPolarHBondContact OE1-CA 3.09Å; E893-S929 VanDerWaalsContact CD-OG 3.29Å; E893-S929 VanDerWaalsContact OE1-CB 3.31Å; E893-S929 WeakPolarHBondContact OE1-CB 3.42Å; E893-S929 PolarHBondContact OE1-OG 2.89Å; E893-S929 PolarHBondContact OE2-OG 2.74Å
894	V	98.2	Very high	97.4	Very high	2 Å²	2	27.2 Å²	27.2	1%	0.012	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	148.5	-173.1	-60.3	0	0	0	0	111	Y584 Y870 K891 Y919	Y584-V894 HydrophobicContact CE2-CG1 4.19Å; Y870-V894 HydrophobicContact CD1-CG2 4.18Å; Y870-V894 HydrophobicContact CE1-CG2 3.83Å; Y870-V894 HydrophobicContact CE2-CG2 4.42Å; K891-V894 HydrophobicContact CB-CG1 3.72Å; K891-V894 HydrophobicContact CG-CG1 4.24Å; V894-Y919 WeakPolarHBondContact CG2-O 3.5Å; V894-Y919 PolarHBondContact N-O 2.9Å; V894-Y919 PolarHBondContact O-N 3.27Å
895	C	98.4	Very high	97.1	Very high	6 Å²	6	31.7 Å²	31.7	4%	0.041	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	133.9	177.1	-172.8	0	0	0	0	111.3	C408 Y592 R879 Y917	C408-C895 HydrophobicContact CB-CB 4.07Å; Y592-C895 HydrophobicContact CD1-CB 3.92Å; Y592-C895 HydrophobicContact CD2-CB 4.27Å; Y592-C895 HydrophobicContact CE1-CB 3.83Å; Y592-C895 HydrophobicContact CE2-CB 4.17Å; Y592-C895 HydrophobicContact CG-CB 4.16Å; R879-C895 VanDerWaalsContact CZ-O 3.28Å; R879-C895 PolarHBondContact NH1-O 2.94Å; R879-C895 PolarHBondContact NH2-O 3.46Å; C895-Y917 CarbonylContact C-O 3.5Å; C895-Y917 VanDerWaalsContact CA-O 3.31Å; C895-Y917 WeakPolarHBondContact CA-O 3.48Å
896	A	98.6	Very high	96.8	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.008	15%	0.152	C	C	.	.			trans	-137.5	159.4	164.9	0	0	0	0	0	110.2	Y870 E871 Y917 Y919	Y870-A896 HydrophobicContact CD1-CB 3.87Å; Y870-A896 HydrophobicContact CG-CB 4.35Å; E871-A896 WeakPolarHBondContact O-CA 3.29Å; A896-Y917 PolarHBondContact N-O 2.96Å; A896-Y917 WeakPolarHBondContact O-CA 3.26Å; A896-Y917 VanDerWaalsContact O-CD1 3.26Å; A896-Y917 WeakPolarHBondContact O-CD1 3.49Å; A896-Y919 HydrophobicContact CB-CD2 3.59Å; A896-Y919 HydrophobicContact CB-CE2 3.81Å; A896-Y919 HydrophobicContact CB-CG 4.32Å
897	Q	98.5	Very high	96.6	Very high	4 Å²	4	29 Å²	29	2%	0.019	14%	0.136	C	C	.	.	S	Bend	trans	-78.8	-94.6	-178.4	-72.4	-73.3	-36.9	0	0	111.1	C408 I409 P410 R603 E871 N913	C408-Q897 PolarHBondContact O-NE2 3.41Å; I409-Q897 PolarHBondContact O-NE2 2.85Å; P410-Q897 PolarHBondContact O-NE2 2.76Å; R603-Q897 PolarHBondContact NH2-O 3.23Å; E871-Q897 HydrophobicContact CB-CB 4.13Å; E871-Q897 HydrophobicContact CG-CB 4.07Å; E871-Q897 PolarHBondContact O-N 2.8Å; E871-Q897 VanDerWaalsContact OE2-CB 3.29Å; E871-Q897 WeakPolarHBondContact OE2-CB 3.36Å; Q897-N913 PolarHBondContact O-ND2 2.7Å
898	K	98.4	Very high	96.6	Very high	6 Å²	6	25.6 Å²	25.6	3%	0.026	12%	0.123	C	C	.	.	S	Bend	trans	-106.2	-18	-170.6	-48.7	170.5	-133.4	-46.5	0	112.2	F607 E871 I912 N913 A974 N978	F607-K898 HydrophobicContact CZ-CD 4.2Å; E871-K898 WeakPolarHBondContact OE1-CE 3.49Å; E871-K898 VanDerWaalsContact OE2-CA 3.27Å; E871-K898 WeakPolarHBondContact OE2-CA 3.42Å; E871-K898 WeakPolarHBondContact OE2-CB 3.36Å; E871-K898 VanDerWaalsContact OE2-CG 3.29Å; E871-K898 WeakPolarHBondContact OE2-CG 3.3Å; E871-K898 PolarHBondContact OE2-N 2.77Å; K898-I912 CarbonylContact O-C 3.53Å; K898-I912 VanDerWaalsContact O-CA 3.24Å; K898-I912 WeakPolarHBondContact O-CA 3.24Å; K898-N913 PolarHBondContact O-N 3Å; K898-N913 PolarHBondContact O-ND2 3Å; K898-A974 HydrophobicContact CB-CB 3.93Å; K898-N978 HydrophobicContact CD-CB 4.4Å
899	W	98.7	Very high	96.7	Very high	2 Å²	2	24.3 Å²	24.3	1%	0.008	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	154.6	179.7	62.6	-89.5	0	0	0	113.9	T869 E871 H876 D901 V911 I912 F959 V970 I971 A974	T869-W899 HydrophobicContact CG2-CH2 3.77Å; T869-W899 HydrophobicContact CG2-CZ3 3.91Å; E871-W899 HydrophobicContact CB-CD2 3.98Å; E871-W899 HydrophobicContact CB-CG 4.05Å; E871-W899 HydrophobicContact CB-CZ2 4.05Å; E871-W899 HydrophobicContact CG-CZ2 4.35Å; E871-W899 PolarHBondContact N-O 2.75Å; E871-W899 VanDerWaalsContact N-O 3.09Å; H876-W899 HydrophobicContact CB-CH2 3.83Å; H876-W899 HydrophobicContact CB-CZ2 4.03Å; W899-D901 HydrophobicContact CE3-CB 3.88Å; W899-D901 HydrophobicContact CZ3-CB 3.68Å; W899-V911 VanDerWaalsContact CA-O 3.31Å; W899-V911 WeakPolarHBondContact CA-O 3.35Å; W899-I912 HydrophobicContact CB-CG1 4.17Å; W899-F959 AromaticContact CH2-CD2 3.57Å; W899-F959 HydrophobicContact CH2-CD2 3.57Å; W899-F959 AromaticContact CH2-CE2 3.25Å; W899-F959 HydrophobicContact CH2-CE2 3.25Å; W899-F959 HydrophobicContact CH2-CG 4.41Å; W899-F959 AromaticContact CH2-CZ 3.86Å; W899-F959 HydrophobicContact CH2-CZ 3.86Å; W899-F959 HydrophobicContact CZ2-CD2 4.07Å; W899-F959 AromaticContact CZ2-CE2 3.79Å; W899-F959 HydrophobicContact CZ2-CE2 3.79Å; W899-F959 HydrophobicContact CZ3-CD2 4.02Å; W899-F959 HydrophobicContact CZ3-CE2 4.07Å; W899-F959 HydrophobicContact CZ3-CG 4.5Å; W899-V970 HydrophobicContact CB-CG1 4.3Å; W899-V970 HydrophobicContact CD2-CG1 3.99Å; W899-V970 HydrophobicContact CE3-CG1 4.15Å; W899-V970 HydrophobicContact CG-CG1 4.06Å; W899-I971 HydrophobicContact CZ2-CG1 4.14Å; W899-A974 HydrophobicContact CB-CB 4.3Å; W899-A974 VanDerWaalsContact CD1-CB 3.5Å; W899-A974 HydrophobicContact CG-CB 4.2Å
900	A	98.8	Very high	96.8	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	148.8	163.7	0	0	0	0	0	109	T869 Y870 S910 V911 Y919 L926	T869-A900 CarbonylContact O-C 3.57Å; T869-A900 WeakPolarHBondContact O-CA 3.39Å; Y870-A900 HydrophobicContact CD1-CB 3.5Å; Y870-A900 VanDerWaalsContact CD1-CB 3.5Å; Y870-A900 HydrophobicContact CE1-CB 3.64Å; Y870-A900 HydrophobicContact CG-CB 4.46Å; A900-S910 CarbonylContact O-C 3.59Å; A900-S910 VanDerWaalsContact O-CA 3.23Å; A900-S910 WeakPolarHBondContact O-CA 3.38Å; A900-V911 PolarHBondContact N-O 3.49Å; A900-V911 PolarHBondContact O-N 3.39Å; A900-Y919 HydrophobicContact CB-CD1 3.45Å; A900-Y919 VanDerWaalsContact CB-CD1 3.45Å; A900-Y919 HydrophobicContact CB-CE1 3.4Å; A900-Y919 HydrophobicContact CB-CG 4.12Å; A900-L926 HydrophobicContact CB-CD1 4.04Å
901	D	98.7	Very high	96.9	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.005	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	135.3	-171.4	179.7	70.3	0	0	0	111.2	A868 T869 W899 S903 S910 H955	A868-D901 CarbonylContact C-O 3.39Å; A868-D901 WeakPolarHBondContact CA-O 3.34Å; T869-D901 PolarHBondContact N-O 3.29Å; T869-D901 PolarHBondContact O-N 3.3Å; W899-D901 HydrophobicContact CE3-CB 3.88Å; W899-D901 HydrophobicContact CZ3-CB 3.68Å; D901-S903 VanDerWaalsContact CG-OG 3.23Å; D901-S903 PolarHBondContact OD1-OG 3.14Å; D901-S903 WeakPolarHBondContact OD2-CB 3.4Å; D901-S903 PolarHBondContact OD2-OG 2.77Å; D901-S910 PolarHBondContact OD1-OG 3.3Å; D901-H955 IonicContact OD1-CD2 3.3Å; D901-H955 IonicContact OD1-CE1 3.33Å; D901-H955 IonicContact OD1-NE2 3.6Å; D901-H955 PolarHBondContact OD1-NE2 2.63Å; D901-H955 IonicContact OD2-NE2 3.91Å
902	L	98.5	Very high	97	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	118.5	167	-174.7	70.6	0	0	0	107.5	L861 L863 A868 T881 G908 V909	L861-L902 HydrophobicContact CB-CD2 4.34Å; L861-L902 HydrophobicContact CD1-CB 4.07Å; L861-L902 HydrophobicContact CD1-CD2 3.87Å; L863-L902 HydrophobicContact CB-CD2 4.18Å; L863-L902 HydrophobicContact CB-CG 4.43Å; L863-L902 WeakPolarHBondContact CD1-O 3.37Å; A868-L902 HydrophobicContact CB-CD1 4.29Å; T881-L902 HydrophobicContact CG2-CD1 4.04Å; L902-G908 WeakPolarHBondContact O-CA 3.35Å; L902-V909 PolarHBondContact N-O 3.18Å; L902-V909 VanDerWaalsContact N-O 3.09Å; L902-V909 PolarHBondContact O-N 3.02Å
903	S	97.2	Very high	97.2	Very high	23 Å²	23	18.5 Å²	18.5	16%	0.161	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	143.1	-174.1	-68.8	0	0	0	0	112.5	S865 D901 G908 H955	S865-S903 WeakPolarHBondContact CB-O 3.39Å; D901-S903 VanDerWaalsContact CG-OG 3.23Å; D901-S903 PolarHBondContact OD1-OG 3.14Å; D901-S903 WeakPolarHBondContact OD2-CB 3.4Å; D901-S903 PolarHBondContact OD2-OG 2.77Å; S903-G908 WeakPolarHBondContact OG-CA 3.21Å; S903-H955 PolarHBondContact OG-CE1 2.87Å; S903-H955 PolarHBondContact OG-NE2 3.03Å
904	E	95.6	Very high	97.2	Very high	53 Å²	53	19.7 Å²	19.7	25%	0.248	9%	0.09	C	C	.	.			trans	-87.4	-166.8	157.7	-69.4	176	168.8	0	0	109.2	R758 L863 Q864 S907	R758-E904 IonicContact CZ-OE2 2.81Å; R758-E904 VanDerWaalsContact CZ-OE2 3.3Å; R758-E904 IonicContact NH1-OE2 2.81Å; R758-E904 PolarHBondContact NH1-OE2 3.06Å; R758-E904 IonicContact NH2-OE1 2.74Å; R758-E904 PolarHBondContact NH2-OE1 3.47Å; R758-E904 IonicContact NH2-OE2 3.74Å; R758-E904 PolarHBondContact NH2-OE2 2.79Å; L863-E904 WeakPolarHBondContact CA-OE1 3.37Å; L863-E904 HydrophobicContact CB-CG 4.42Å; L863-E904 HydrophobicContact CD2-CB 4.45Å; L863-E904 HydrophobicContact CD2-CG 3.92Å; Q864-E904 PolarHBondContact N-OE1 2.83Å; E904-S907 PolarHBondContact N-O 3.11Å
905	W	91	Very high	97.2	Very high	221 Å²	221	19.7 Å²	19.7	84%	0.837	9%	0.09	S	C	*	.	S	Bend	trans	-73.7	-32.3	-179.2	84.2	-85.6	0	0	0	113.3
906	D	90.6	Very high	97.2	Very high	59 Å²	59	19.8 Å²	19.8	32%	0.316	9%	0.09	S	C	.	.	S	Bend	trans	-109.7	-17.6	-172.3	63.2	-20.4	0	0	0	114.2	R758 G957	R758-D906 IonicContact NH1-OD1 2.84Å; R758-D906 IonicContact NH1-OD2 3.2Å; D906-G957 PolarHBondContact O-N 2.87Å
907	S	92.9	Very high	97.2	Very high	9 Å²	9	19.8 Å²	19.8	6%	0.063	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	148.2	-171.6	55.8	0	0	0	0	111.4	R758 E904 H955	R758-S907 PolarHBondContact NH1-OG 2.89Å; E904-S907 PolarHBondContact N-O 3.11Å; S907-H955 WeakPolarHBondContact CA-O 3.27Å
908	G	96.4	Very high	97.2	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	167.9	178.3	0	0	0	0	0	112.8	L902 S903 P954 H955	L902-G908 WeakPolarHBondContact O-CA 3.35Å; S903-G908 WeakPolarHBondContact OG-CA 3.21Å; G908-P954 CarbonylContact O-C 3.53Å; G908-P954 WeakPolarHBondContact O-CA 3.44Å; G908-H955 PolarHBondContact N-O 2.69Å; G908-H955 PolarHBondContact O-N 3.14Å
909	V	98	Very high	97.2	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	126.4	174	179.6	0	0	0	0	109	L751 L760 L861 L863 L902 L952 M953 P954	L751-V909 HydrophobicContact CD2-CG1 4.33Å; L751-V909 HydrophobicContact CD2-CG2 4.25Å; L760-V909 HydrophobicContact CB-CG2 3.96Å; L760-V909 HydrophobicContact CD1-CG2 3.82Å; L760-V909 HydrophobicContact CG-CG2 4.45Å; L861-V909 HydrophobicContact CD1-CB 3.87Å; L861-V909 HydrophobicContact CD1-CG1 4.24Å; L861-V909 HydrophobicContact CD2-CB 3.98Å; L861-V909 HydrophobicContact CD2-CG1 3.89Å; L861-V909 HydrophobicContact CD2-CG2 4.06Å; L863-V909 HydrophobicContact CD1-CB 4.27Å; L863-V909 HydrophobicContact CD1-CG2 4.04Å; L902-V909 PolarHBondContact N-O 3.18Å; L902-V909 VanDerWaalsContact N-O 3.09Å; L902-V909 PolarHBondContact O-N 3.02Å; V909-L952 HydrophobicContact CG1-CD1 3.42Å; V909-L952 VanDerWaalsContact CG1-CD1 3.42Å; V909-L952 HydrophobicContact CG1-CG 3.86Å; V909-M953 WeakPolarHBondContact CA-O 3.4Å; V909-P954 HydrophobicContact CG2-CB 4.3Å
910	S	98.7	Very high	97.2	Very high	0 Å²	0	20 Å²	20	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	141	178.5	-36.9	0	0	0	0	111.7	A900 D901 M953 H955 V970	A900-S910 CarbonylContact O-C 3.59Å; A900-S910 VanDerWaalsContact O-CA 3.23Å; A900-S910 WeakPolarHBondContact O-CA 3.38Å; D901-S910 PolarHBondContact OD1-OG 3.3Å; S910-M953 PolarHBondContact N-O 3.04Å; S910-M953 PolarHBondContact O-N 2.93Å; S910-H955 PolarHBondContact OG-CD2 3.19Å; S910-V970 WeakPolarHBondContact OG-CG1 3.33Å; S910-V970 WeakPolarHBondContact OG-CG2 3.45Å
911	V	98.8	Very high	97.1	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	109.3	171.4	174.8	0	0	0	0	108.5	F859 W899 A900 Y919 L926 L928 A951 L952	F859-V911 HydrophobicContact CD2-CG2 3.59Å; F859-V911 HydrophobicContact CE2-CG1 4.04Å; F859-V911 HydrophobicContact CE2-CG2 3.72Å; F859-V911 HydrophobicContact CG-CG2 4.06Å; F859-V911 HydrophobicContact CZ-CG2 4.3Å; W899-V911 VanDerWaalsContact CA-O 3.31Å; W899-V911 WeakPolarHBondContact CA-O 3.35Å; A900-V911 PolarHBondContact N-O 3.49Å; A900-V911 PolarHBondContact O-N 3.39Å; V911-Y919 HydrophobicContact CB-CE1 4.3Å; V911-Y919 HydrophobicContact CG1-CE1 4.12Å; V911-Y919 PolarHBondContact O-OH 3.35Å; V911-L926 HydrophobicContact CB-CD2 3.95Å; V911-L926 HydrophobicContact CG2-CD2 3.53Å; V911-L926 HydrophobicContact CG2-CG 4.05Å; V911-L928 HydrophobicContact CG1-CB 4.37Å; V911-L928 HydrophobicContact CG1-CD2 4.26Å; V911-A951 WeakPolarHBondContact CA-O 3.37Å; V911-L952 HydrophobicContact CG2-CD1 3.76Å
912	I	98.8	Very high	97.1	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.005	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	146.5	-179.2	-52.9	174.1	0	0	0	108.7	K898 W899 Y950 A951 M953 A973 A974 L977	K898-I912 CarbonylContact O-C 3.53Å; K898-I912 VanDerWaalsContact O-CA 3.24Å; K898-I912 WeakPolarHBondContact O-CA 3.24Å; W899-I912 HydrophobicContact CB-CG1 4.17Å; I912-Y950 CarbonylContact O-C 3.54Å; I912-Y950 WeakPolarHBondContact O-CA 3.5Å; I912-Y950 WeakPolarHBondContact O-CB 3.5Å; I912-A951 HydrophobicContact CB-CB 4.29Å; I912-A951 PolarHBondContact N-O 2.81Å; I912-A951 PolarHBondContact O-N 2.86Å; I912-M953 HydrophobicContact CD1-CB 4.02Å; I912-M953 HydrophobicContact CD1-SD 4.09Å; I912-A973 HydrophobicContact CD1-CB 3.74Å; I912-A974 HydrophobicContact CG2-CB 3.8Å; I912-L977 HydrophobicContact CB-CD2 4.39Å; I912-L977 HydrophobicContact CG2-CB 4.28Å; I912-L977 HydrophobicContact CG2-CD2 3.69Å
913	N	98.7	Very high	97	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	160.3	-177.9	84.2	79.5	0	0	0	113.7	R603 Q897 K898 C915 K916 Y919 L928 N978	R603-N913 PolarHBondContact NH1-O 3.46Å; R603-N913 VanDerWaalsContact NH1-O 3.15Å; R603-N913 PolarHBondContact NH1-OD1 2.95Å; R603-N913 PolarHBondContact NH2-OD1 2.85Å; Q897-N913 PolarHBondContact O-ND2 2.7Å; K898-N913 PolarHBondContact O-N 3Å; K898-N913 PolarHBondContact O-ND2 3Å; N913-C915 PolarHBondContact OD1-N 2.9Å; N913-K916 HydrophobicContact CB-CB 4.3Å; N913-K916 PolarHBondContact ND2-O 3.34Å; N913-K916 PolarHBondContact OD1-N 3.12Å; N913-K916 PolarHBondContact OD1-O 3.3Å; N913-Y919 PolarHBondContact ND2-OH 2.86Å; N913-L928 HydrophobicContact CB-CD2 4.32Å; N913-N978 PolarHBondContact O-ND2 2.96Å; N913-N978 PolarHBondContact O-OD1 2.82Å
914	D	97.7	Very high	97	Very high	25 Å²	25	30.3 Å²	30.3	13%	0.134	15%	0.145	C	C	.	.	S	Bend	trans	-99.5	-15.5	178.1	76.9	-27.4	0	0	0	115.3	K600 R603 T949 N978	K600-D914 IonicContact NZ-OD2 2.63Å; K600-D914 PolarHBondContact NZ-OD2 3.27Å; R603-D914 VanDerWaalsContact CD-O 3.28Å; R603-D914 WeakPolarHBondContact CD-O 3.38Å; R603-D914 PolarHBondContact NH1-O 2.81Å; D914-T949 VanDerWaalsContact CG-N 3.27Å; D914-T949 PolarHBondContact N-O 3.41Å; D914-T949 PolarHBondContact OD1-N 2.87Å; D914-T949 PolarHBondContact OD2-N 2.89Å; D914-N978 WeakPolarHBondContact CA-OD1 3.43Å; D914-N978 PolarHBondContact O-OD1 3.06Å
915	C	97.6	Very high	97.1	Very high	2 Å²	2	29.4 Å²	29.4	1%	0.014	14%	0.142	C	C	.	.	S	Bend	trans	-164.5	9.9	-175.8	62.8	0	0	0	0	116.7	K600 N913 F948	K600-C915 VanDerWaalsContact CA-CB 3.49Å; K600-C915 HydrophobicContact CB-CB 3.5Å; K600-C915 VanDerWaalsContact CB-CB 3.5Å; K600-C915 HydrophobicContact CD-CB 4.29Å; K600-C915 HydrophobicContact CG-CB 3.82Å; N913-C915 PolarHBondContact OD1-N 2.9Å; C915-F948 WeakPolarHBondContact SG-CB 3.44Å
916	K	98.6	Very high	97.5	Very high	9 Å²	9	18.9 Å²	18.9	4%	0.039	10%	0.102	C	C	.	.			trans	-105.7	131.2	-176.8	-59.4	-62.2	178.4	-104.3	0	109.6	N913 L928 L930 F948	N913-K916 HydrophobicContact CB-CB 4.3Å; N913-K916 PolarHBondContact ND2-O 3.34Å; N913-K916 PolarHBondContact OD1-N 3.12Å; N913-K916 PolarHBondContact OD1-O 3.3Å; K916-L928 HydrophobicContact CB-CD1 3.73Å; K916-L928 HydrophobicContact CB-CD2 4.21Å; K916-L928 HydrophobicContact CB-CG 4.12Å; K916-L928 HydrophobicContact CG-CD2 4.27Å; K916-L928 HydrophobicContact CG-CG 4.49Å; K916-L930 WeakPolarHBondContact CD-O 3.4Å; K916-L930 WeakPolarHBondContact CE-O 3.4Å; K916-L930 HydrophobicContact CG-CD2 4.34Å; K916-F948 VanDerWaalsContact NZ-CD1 3.33Å
917	Y	98.8	Very high	97.9	Very high	1 Å²	1	16.5 Å²	16.5	0%	0.004	9%	0.09	C	C	.	.			trans	-113.7	-22.2	-175.1	-70.1	-94.1	0	0	0	113	I409 K599 R603 C895 A896	I409-Y917 HydrophobicContact CB-CD1 4.39Å; I409-Y917 HydrophobicContact CB-CE1 4.38Å; I409-Y917 HydrophobicContact CG2-CD1 3.95Å; I409-Y917 HydrophobicContact CG2-CD2 3.96Å; I409-Y917 HydrophobicContact CG2-CE1 3.72Å; I409-Y917 HydrophobicContact CG2-CE2 3.74Å; I409-Y917 HydrophobicContact CG2-CG 4.05Å; I409-Y917 WeakPolarHBondContact O-CE1 3.24Å; I409-Y917 PolarHBondContact O-OH 3.14Å; K599-Y917 HydrophobicContact CB-CD2 4.16Å; K599-Y917 HydrophobicContact CB-CE2 3.97Å; K599-Y917 HydrophobicContact CG-CD2 4.29Å; K599-Y917 HydrophobicContact CG-CE2 4.38Å; R603-Y917 PolarHBondContact NE-OH 3.43Å; R603-Y917 PolarHBondContact NH2-OH 3.1Å; C895-Y917 CarbonylContact C-O 3.5Å; C895-Y917 VanDerWaalsContact CA-O 3.31Å; C895-Y917 WeakPolarHBondContact CA-O 3.48Å; A896-Y917 PolarHBondContact N-O 2.96Å; A896-Y917 WeakPolarHBondContact O-CA 3.26Å; A896-Y917 VanDerWaalsContact O-CD1 3.26Å; A896-Y917 WeakPolarHBondContact O-CD1 3.49Å
918	G	98.6	Very high	98.2	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	124.4	177.6	0	0	0	0	0	112.3	E893 S929	E893-G918 WeakPolarHBondContact OE1-CA 3.09Å; G918-S929 WeakPolarHBondContact O-CB 3.25Å; G918-S929 PolarHBondContact O-N 2.79Å
919	Y	98.6	Very high	98.3	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	161.3	176.5	-77.8	-97.2	0	0	0	111.1	Y870 V894 A896 A900 V911 N913 V927 L928	Y870-Y919 HydrophobicContact CD1-CG 4.48Å; Y870-Y919 HydrophobicContact CE1-CG 4.36Å; V894-Y919 WeakPolarHBondContact CG2-O 3.5Å; V894-Y919 PolarHBondContact N-O 2.9Å; V894-Y919 PolarHBondContact O-N 3.27Å; A896-Y919 HydrophobicContact CB-CD2 3.59Å; A896-Y919 HydrophobicContact CB-CE2 3.81Å; A896-Y919 HydrophobicContact CB-CG 4.32Å; A900-Y919 HydrophobicContact CB-CD1 3.45Å; A900-Y919 VanDerWaalsContact CB-CD1 3.45Å; A900-Y919 HydrophobicContact CB-CE1 3.4Å; A900-Y919 HydrophobicContact CB-CG 4.12Å; V911-Y919 HydrophobicContact CB-CE1 4.3Å; V911-Y919 HydrophobicContact CG1-CE1 4.12Å; V911-Y919 PolarHBondContact O-OH 3.35Å; N913-Y919 PolarHBondContact ND2-OH 2.86Å; Y919-V927 WeakPolarHBondContact CA-O 3.4Å; Y919-L928 HydrophobicContact CD1-CD1 3.86Å; Y919-L928 HydrophobicContact CD2-CD1 3.99Å; Y919-L928 HydrophobicContact CE1-CD1 3.47Å; Y919-L928 VanDerWaalsContact CE1-CD1 3.47Å; Y919-L928 HydrophobicContact CE2-CD1 3.58Å; Y919-L928 HydrophobicContact CG-CD1 4.14Å
920	S	98.1	Very high	98.3	Very high	15 Å²	15	16.1 Å²	16.1	11%	0.105	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	155.5	162.1	60.3	0	0	0	0	110.8	Y892 V927	Y892-S920 WeakPolarHBondContact O-CB 3.42Å; S920-V927 PolarHBondContact N-O 3.14Å; S920-V927 PolarHBondContact O-N 3.11Å; S920-V927 WeakPolarHBondContact OG-CB 3.31Å
921	C	98.2	Very high	98.3	Very high	12 Å²	12	16.1 Å²	16.1	8%	0.081	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	122.9	169.4	-170.1	0	0	0	0	109.9	A868 Y870 T881 N925 L926	A868-C921 HydrophobicContact CB-CB 3.83Å; Y870-C921 WeakPolarHBondContact OH-CB 3.21Å; Y870-C921 PolarHBondContact OH-N 3.11Å; T881-C921 HydrophobicContact CG2-CB 4.2Å; C921-N925 VanDerWaalsContact CA-O 3.31Å; C921-N925 WeakPolarHBondContact CA-O 3.16Å; C921-N925 PolarHBondContact SG-O 3.2Å; C921-L926 HydrophobicContact CB-CD1 4.04Å
922	Y	97.8	Very high	98.3	Very high	142 Å²	142	16.1 Å²	16.1	56%	0.557	9%	0.087	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-128.7	123	174.2	-178.4	-108	0	0	0	110	T881 R883 N924 N925	T881-Y922 WeakPolarHBondContact O-CA 3.49Å; T881-Y922 WeakPolarHBondContact O-CD2 3.46Å; R883-Y922 HydrophobicContact CG-CD2 4.23Å; R883-Y922 HydrophobicContact CG-CE2 3.98Å; Y922-N924 PolarHBondContact O-N 2.93Å; Y922-N924 VanDerWaalsContact O-N 3.08Å; Y922-N925 PolarHBondContact N-O 2.84Å; Y922-N925 PolarHBondContact O-N 2.86Å; Y922-N925 VanDerWaalsContact O-N 3.1Å
923	G	97.2	Very high	98.2	Very high	35 Å²	35	16 Å²	16	36%	0.361	9%	0.086	S	C	.	.	T	Hydrogen-bonded Turn	trans	58	-109.3	-168.3	0	0	0	0	0	110.6	T881	T881-G923 PolarHBondContact O-N 3.02Å
924	N	97	Very high	98.1	Very high	53 Å²	53	16 Å²	16	28%	0.283	9%	0.086	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113	9.1	-177.8	67.8	-29.1	0	0	0	113.5	L861 L863 Y922	L861-N924 PolarHBondContact N-O 3.15Å; L861-N924 VanDerWaalsContact O-CB 3.29Å; L861-N924 WeakPolarHBondContact O-CB 3.47Å; L861-N924 PolarHBondContact O-ND2 2.87Å; L863-N924 VanDerWaalsContact O-CB 3.3Å; L863-N924 WeakPolarHBondContact O-CB 3.47Å; Y922-N924 PolarHBondContact O-N 2.93Å; Y922-N924 VanDerWaalsContact O-N 3.08Å
925	N	98	Very high	98.1	Very high	34 Å²	34	16.9 Å²	16.9	18%	0.182	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	107.3	179.6	-168.7	15.2	0	0	0	109.7	E858 F859 C921 Y922	E858-N925 PolarHBondContact OE2-ND2 3.35Å; F859-N925 VanDerWaalsContact C-OD1 3.25Å; F859-N925 PolarHBondContact N-OD1 3.01Å; F859-N925 PolarHBondContact O-OD1 3.22Å; C921-N925 VanDerWaalsContact CA-O 3.31Å; C921-N925 WeakPolarHBondContact CA-O 3.16Å; C921-N925 PolarHBondContact SG-O 3.2Å; Y922-N925 PolarHBondContact N-O 2.84Å; Y922-N925 PolarHBondContact O-N 2.86Å; Y922-N925 VanDerWaalsContact O-N 3.1Å
926	L	98.5	Very high	98	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	131.1	171.6	-175.9	58.9	0	0	0	108.6	F859 L861 A900 V911 C921	F859-L926 WeakPolarHBondContact CB-O 3.46Å; F859-L926 WeakPolarHBondContact CD2-O 3.5Å; F859-L926 PolarHBondContact N-O 2.81Å; F859-L926 PolarHBondContact O-N 2.9Å; L861-L926 HydrophobicContact CD1-CB 4.31Å; A900-L926 HydrophobicContact CB-CD1 4.04Å; V911-L926 HydrophobicContact CB-CD2 3.95Å; V911-L926 HydrophobicContact CG2-CD2 3.53Å; V911-L926 HydrophobicContact CG2-CG 4.05Å; C921-L926 HydrophobicContact CB-CD1 4.04Å
927	V	98.7	Very high	97.9	Very high	9 Å²	9	17.4 Å²	17.4	6%	0.055	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	136.2	-171.4	-176.8	0	0	0	0	110	K856 V857 E858 Y919 S920	K856-V927 HydrophobicContact CB-CG1 3.83Å; K856-V927 HydrophobicContact CD-CG1 3.77Å; K856-V927 HydrophobicContact CG-CG1 4.41Å; V857-V927 WeakPolarHBondContact O-CA 3.08Å; V857-V927 WeakPolarHBondContact O-CG1 3.33Å; E858-V927 HydrophobicContact CB-CG2 4.36Å; E858-V927 HydrophobicContact CG-CG1 4.09Å; E858-V927 HydrophobicContact CG-CG2 3.94Å; Y919-V927 WeakPolarHBondContact CA-O 3.4Å; S920-V927 PolarHBondContact N-O 3.14Å; S920-V927 PolarHBondContact O-N 3.11Å; S920-V927 WeakPolarHBondContact OG-CB 3.31Å
928	L	98.9	Very high	97.8	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	125.7	174.1	-176.9	70.4	0	0	0	110.1	K856 V857 V911 N913 K916 Y919 L930 Y950	K856-L928 WeakPolarHBondContact CA-O 3.16Å; V857-L928 HydrophobicContact CG1-CB 3.82Å; V857-L928 HydrophobicContact CG1-CD2 4.41Å; V857-L928 PolarHBondContact N-O 3.4Å; V857-L928 PolarHBondContact O-N 3.39Å; V911-L928 HydrophobicContact CG1-CB 4.37Å; V911-L928 HydrophobicContact CG1-CD2 4.26Å; N913-L928 HydrophobicContact CB-CD2 4.32Å; K916-L928 HydrophobicContact CB-CD1 3.73Å; K916-L928 HydrophobicContact CB-CD2 4.21Å; K916-L928 HydrophobicContact CB-CG 4.12Å; K916-L928 HydrophobicContact CG-CD2 4.27Å; K916-L928 HydrophobicContact CG-CG 4.49Å; Y919-L928 HydrophobicContact CD1-CD1 3.86Å; Y919-L928 HydrophobicContact CD2-CD1 3.99Å; Y919-L928 HydrophobicContact CE1-CD1 3.47Å; Y919-L928 VanDerWaalsContact CE1-CD1 3.47Å; Y919-L928 HydrophobicContact CE2-CD1 3.58Å; Y919-L928 HydrophobicContact CG-CD1 4.14Å; L928-L930 HydrophobicContact CD2-CD2 3.82Å; L928-L930 HydrophobicContact CG-CD2 3.98Å; L928-Y950 HydrophobicContact CD2-CD1 4.17Å; L928-Y950 HydrophobicContact CD2-CG 4.1Å
929	S	98.7	Very high	97.7	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	125.5	175	-66.7	0	0	0	0	110.4	T593 M854 K856 E893 G918	T593-S929 VanDerWaalsContact OG1-CB 3.32Å; T593-S929 WeakPolarHBondContact OG1-CB 3.47Å; M854-S929 VanDerWaalsContact CE-OG 3.26Å; M854-S929 WeakPolarHBondContact CE-OG 3.17Å; K856-S929 WeakPolarHBondContact CE-OG 3.43Å; E893-S929 VanDerWaalsContact CD-OG 3.29Å; E893-S929 VanDerWaalsContact OE1-CB 3.31Å; E893-S929 WeakPolarHBondContact OE1-CB 3.42Å; E893-S929 PolarHBondContact OE1-OG 2.89Å; E893-S929 PolarHBondContact OE2-OG 2.74Å; G918-S929 WeakPolarHBondContact O-CB 3.25Å; G918-S929 PolarHBondContact O-N 2.79Å
930	L	98.7	Very high	97.6	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	-58.8	-170.2	-59.1	-176.5	0	0	0	113	F770 L855 V857 K916 L928 F948 Y950	F770-L930 HydrophobicContact CD1-CD1 3.97Å; F770-L930 HydrophobicContact CE1-CD1 3.7Å; L855-L930 HydrophobicContact CD2-CB 4.33Å; L855-L930 HydrophobicContact CD2-CD1 4.27Å; L855-L930 HydrophobicContact CG-CB 4.28Å; L855-L930 HydrophobicContact CG-CD1 4.24Å; L855-L930 WeakPolarHBondContact O-CA 3.37Å; L855-L930 WeakPolarHBondContact O-CB 3.26Å; L855-L930 PolarHBondContact O-N 2.84Å; V857-L930 HydrophobicContact CB-CD1 4.03Å; V857-L930 HydrophobicContact CG1-CD1 3.99Å; V857-L930 HydrophobicContact CG1-CD2 3.95Å; V857-L930 HydrophobicContact CG1-CG 4.13Å; K916-L930 WeakPolarHBondContact CD-O 3.4Å; K916-L930 WeakPolarHBondContact CE-O 3.4Å; K916-L930 HydrophobicContact CG-CD2 4.34Å; L928-L930 HydrophobicContact CD2-CD2 3.82Å; L928-L930 HydrophobicContact CG-CD2 3.98Å; L930-F948 HydrophobicContact CB-CE2 4.38Å; L930-F948 HydrophobicContact CB-CZ 4Å; L930-F948 HydrophobicContact CD1-CE2 4.04Å; L930-F948 HydrophobicContact CD1-CZ 4.03Å; L930-F948 HydrophobicContact CD2-CD2 4.37Å; L930-F948 HydrophobicContact CD2-CE2 3.63Å; L930-F948 HydrophobicContact CD2-CZ 4.13Å; L930-F948 HydrophobicContact CG-CE2 4.23Å; L930-F948 HydrophobicContact CG-CZ 4.29Å; L930-Y950 HydrophobicContact CD2-CE1 4.46Å
931	L	98.6	Very high	97.5	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	146.9	-174.8	-66.8	172.8	0	0	0	110.6	A596 V846 W848 M854 L855 H946 F948	A596-L931 HydrophobicContact CB-CD2 3.71Å; V846-L931 HydrophobicContact CB-CD1 3.82Å; V846-L931 HydrophobicContact CG1-CD1 3.82Å; V846-L931 HydrophobicContact CG2-CD1 4.2Å; W848-L931 HydrophobicContact CB-CD1 3.96Å; W848-L931 HydrophobicContact CD2-CB 4.28Å; W848-L931 HydrophobicContact CD2-CD1 4.1Å; W848-L931 HydrophobicContact CE3-CD1 4.41Å; W848-L931 HydrophobicContact CG-CB 4.47Å; W848-L931 HydrophobicContact CG-CD1 3.91Å; W848-L931 HydrophobicContact CZ2-CB 4.49Å; M854-L931 CarbonylContact C-O 3.51Å; M854-L931 WeakPolarHBondContact CA-O 3.44Å; L855-L931 HydrophobicContact CB-CB 4.34Å; L855-L931 HydrophobicContact CD2-CD1 4.44Å; L855-L931 PolarHBondContact N-O 2.76Å; L855-L931 PolarHBondContact O-N 3.18Å; L931-H946 HydrophobicContact CD1-CB 4.21Å; L931-H946 HydrophobicContact CD2-CB 4.14Å; L931-F948 HydrophobicContact CD1-CE1 4.38Å; L931-F948 HydrophobicContact CG-CE1 4.39Å
932	R	97.9	Very high	97.5	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.126	C	C	.	.			trans	-116.9	169.3	168.4	-79.3	173	62.8	97.3	-6.1	109.7	G590 T593 T594 D775 D781 D784 V785 W848 K853 M854 D942	G590-R932 WeakPolarHBondContact O-CD 3.14Å; T593-R932 HydrophobicContact CG2-CB 4.43Å; T593-R932 HydrophobicContact CG2-CG 3.85Å; T594-R932 WeakPolarHBondContact OG1-CD 3.49Å; T594-R932 PolarHBondContact OG1-NE 2.76Å; T594-R932 VanDerWaalsContact OG1-NE 3.09Å; D775-R932 VanDerWaalsContact CG-CZ 3.45Å; D775-R932 IonicContact OD1-CZ 2.88Å; D775-R932 IonicContact OD1-NH1 3.35Å; D775-R932 PolarHBondContact OD1-NH1 2.71Å; D775-R932 IonicContact OD1-NH2 3.3Å; D775-R932 PolarHBondContact OD1-NH2 2.78Å; D775-R932 IonicContact OD2-CZ 3.81Å; D775-R932 IonicContact OD2-NE 3.87Å; D775-R932 PolarHBondContact OD2-NE 3.06Å; D775-R932 IonicContact OD2-NH1 3.94Å; D775-R932 PolarHBondContact OD2-NH1 3.19Å; D775-R932 IonicContact OD2-NH2 2.77Å; D775-R932 PolarHBondContact OD2-NH2 3.16Å; D781-R932 PolarHBondContact O-NH2 3.38Å; D784-R932 PolarHBondContact O-NH1 2.91Å; D784-R932 PolarHBondContact O-NH2 2.85Å; V785-R932 VanDerWaalsContact CB-NH1 3.34Å; W848-R932 PolarHBondContact NE1-O 2.69Å; K853-R932 CarbonylContact O-C 3.49Å; K853-R932 WeakPolarHBondContact O-CA 3.44Å; M854-R932 HydrophobicContact CB-CG 4.27Å; M854-R932 HydrophobicContact CE-CG 4.23Å; M854-R932 HydrophobicContact CG-CG 3.83Å; M854-R932 HydrophobicContact SD-CG 4.21Å; R932-D942 WeakPolarHBondContact O-CB 3.4Å
933	S	97.4	Very high	97.5	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.112	C	C	.	.			trans	-142.6	50.7	175.2	50.3	0	0	0	0	112.6	E850 H852 K853 M943	E850-S933 WeakPolarHBondContact O-CB 3.47Å; E850-S933 PolarHBondContact O-OG 2.99Å; H852-S933 PolarHBondContact N-O 3.41Å; H852-S933 PolarHBondContact N-OG 3.29Å; K853-S933 PolarHBondContact N-OG 2.67Å; K853-S933 PolarHBondContact O-N 3.46Å; K853-S933 VanDerWaalsContact O-N 3.08Å; K853-S933 PolarHBondContact O-OG 2.84Å; K853-S933 VanDerWaalsContact O-OG 3.09Å; S933-M943 VanDerWaalsContact CB-CE 3.45Å
934	S	97.3	Very high	97.5	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.101	C	C	.	.			trans	-56.4	157.3	168.7	53.2	0	0	0	0	111.5	D781 A941	D781-S934 WeakPolarHBondContact OD1-CA 3.33Å; D781-S934 VanDerWaalsContact OD1-CB 3.22Å; D781-S934 WeakPolarHBondContact OD1-CB 3.26Å; S934-A941 WeakPolarHBondContact O-CB 3.36Å
935	K	96.3	Very high	97.6	Very high	43 Å²	43	19.9 Å²	19.9	19%	0.187	11%	0.114	C	C	.	.			trans	-124.1	-5.1	-177.6	-58.9	-59.9	171	-164.1	0	114.3	D781 S851 D938 P939 M943	D781-K935 WeakPolarHBondContact OD2-CA 3.18Å; D781-K935 PolarHBondContact OD2-N 3.21Å; S851-K935 WeakPolarHBondContact OG-CE 3.36Å; K935-D938 CarbonylContact C-O 3.46Å; K935-D938 WeakPolarHBondContact CA-O 3.4Å; K935-D938 CarbonylContact O-C 3.59Å; K935-P939 WeakPolarHBondContact CD-O 3.41Å; K935-P939 PolarHBondContact NZ-O 3.42Å; K935-P939 WeakPolarHBondContact O-CA 3.35Å; K935-M943 PolarHBondContact NZ-SD 3.28Å
936	S	96.1	Very high	97.6	Very high	20 Å²	20	18.6 Å²	18.6	14%	0.14	11%	0.107	C	C	.	.	S	Bend	trans	-132.2	130	173.8	-138.5	0	0	0	0	110.7	I230 D781 A782	I230-S936 PolarHBondContact O-OG 3.5Å; D781-S936 PolarHBondContact OD2-N 3.18Å; A782-S936 WeakPolarHBondContact CB-O 3.5Å; A782-S936 PolarHBondContact N-O 3.06Å
937	P	96.9	Very high	97.6	Very high	2 Å²	2	20.9 Å²	20.9	1%	0.013	12%	0.123	C	C	.	.	S	Bend	cis	-90.3	-5.4	6.4	28	-18.7	0	0	0	114.5	I230 P232 L335 T651 C652 I653 W783	I230-P937 VanDerWaalsContact O-CA 3.26Å; I230-P937 WeakPolarHBondContact O-CA 3.48Å; I230-P937 VanDerWaalsContact O-CB 3.26Å; I230-P937 WeakPolarHBondContact O-CB 3.42Å; P232-P937 WeakPolarHBondContact CA-O 3.46Å; L335-P937 HydrophobicContact CD2-CB 3.89Å; L335-P937 HydrophobicContact CD2-CG 4.27Å; T651-P937 WeakPolarHBondContact O-CG 3.25Å; C652-P937 WeakPolarHBondContact O-CG 3.4Å; I653-P937 HydrophobicContact CG2-CB 4.06Å; W783-P937 HydrophobicContact CH2-CG 3.91Å; W783-P937 HydrophobicContact CZ3-CG 4Å
938	D	97	Very high	97.6	Very high	8 Å²	8	20.5 Å²	20.5	4%	0.043	12%	0.12	C	C	.	.			trans	-103.2	113.8	173	-174.1	-14	0	0	0	110.3	H595 E654 K935 N940 A941	H595-D938 IonicContact CE1-OD2 3.31Å; H595-D938 PolarHBondContact CE1-OD2 3.07Å; H595-D938 IonicContact NE2-OD2 2.68Å; E654-D938 WeakPolarHBondContact CA-OD2 3.48Å; K935-D938 CarbonylContact C-O 3.46Å; K935-D938 WeakPolarHBondContact CA-O 3.4Å; K935-D938 CarbonylContact O-C 3.59Å; D938-N940 PolarHBondContact O-N 3.42Å; D938-N940 WeakPolarHBondContact OD1-CA 3.49Å; D938-N940 WeakPolarHBondContact OD1-CB 3.34Å; D938-N940 PolarHBondContact OD1-N 3.42Å; D938-A941 HydrophobicContact CB-CB 4.2Å; D938-A941 PolarHBondContact O-N 3.07Å; D938-A941 PolarHBondContact OD1-N 2.88Å
939	P	95.5	Very high	97.6	Very high	48 Å²	48	21.5 Å²	21.5	31%	0.312	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-16.7	178.9	29	-34	0	0	0	113.2	P232 K935	P232-P939 HydrophobicContact CB-CG 4.25Å; P232-P939 HydrophobicContact CG-CB 4.26Å; P232-P939 HydrophobicContact CG-CG 4.26Å; K935-P939 WeakPolarHBondContact CD-O 3.41Å; K935-P939 PolarHBondContact NZ-O 3.42Å; K935-P939 WeakPolarHBondContact O-CA 3.35Å
940	N	96.4	Very high	97.6	Very high	85 Å²	85	21.5 Å²	21.5	46%	0.455	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.9	15.1	-177.4	-61.6	-54.9	0	0	0	112.5	E654 D938 D942 M943	E654-N940 PolarHBondContact OE2-ND2 2.85Å; D938-N940 PolarHBondContact O-N 3.42Å; D938-N940 WeakPolarHBondContact OD1-CA 3.49Å; D938-N940 WeakPolarHBondContact OD1-CB 3.34Å; D938-N940 PolarHBondContact OD1-N 3.42Å; N940-D942 PolarHBondContact O-N 2.96Å; N940-M943 HydrophobicContact CB-CG 4.46Å; N940-M943 WeakPolarHBondContact O-CB 3.44Å; N940-M943 WeakPolarHBondContact O-CG 3.37Å; N940-M943 PolarHBondContact O-N 2.88Å
941	A	97.3	Very high	97.6	Very high	1 Å²	1	21.5 Å²	21.5	1%	0.008	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.4	125.4	178.6	0	0	0	0	0	111.1	S934 D938 M943	S934-A941 WeakPolarHBondContact O-CB 3.36Å; D938-A941 HydrophobicContact CB-CB 4.2Å; D938-A941 PolarHBondContact O-N 3.07Å; D938-A941 PolarHBondContact OD1-N 2.88Å; A941-M943 WeakPolarHBondContact O-CE 3.44Å; A941-M943 PolarHBondContact O-N 3.25Å
942	D	98	Very high	97.6	Very high	8 Å²	8	21.5 Å²	21.5	4%	0.043	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.7	15.9	-177.9	-68.5	-41.7	0	0	0	116.2	H595 A596 R932 N940 G944 H946	H595-D942 WeakPolarHBondContact CA-OD1 3.4Å; H595-D942 PolarHBondContact N-OD1 3.23Å; H595-D942 PolarHBondContact N-OD2 3.27Å; A596-D942 PolarHBondContact N-OD1 3.19Å; R932-D942 WeakPolarHBondContact O-CB 3.4Å; N940-D942 PolarHBondContact O-N 2.96Å; D942-G944 PolarHBondContact O-N 2.72Å; D942-H946 PolarHBondContact O-NE2 3.23Å; D942-H946 IonicContact OD1-CE1 2.96Å; D942-H946 PolarHBondContact OD1-CE1 2.95Å; D942-H946 VanDerWaalsContact OD1-CE1 3.31Å; D942-H946 IonicContact OD1-NE2 2.73Å
943	M	97.7	Very high	97.5	Very high	54 Å²	54	21.6 Å²	21.6	27%	0.266	13%	0.127	S	C	.	.			trans	-72	131.9	175.5	-62.4	-62.6	101	0	0	110.9	E850 S933 K935 N940 A941	E850-M943 VanDerWaalsContact O-CE 3.25Å; E850-M943 WeakPolarHBondContact O-CE 3.33Å; S933-M943 VanDerWaalsContact CB-CE 3.45Å; K935-M943 PolarHBondContact NZ-SD 3.28Å; N940-M943 HydrophobicContact CB-CG 4.46Å; N940-M943 WeakPolarHBondContact O-CB 3.44Å; N940-M943 WeakPolarHBondContact O-CG 3.37Å; N940-M943 PolarHBondContact O-N 2.88Å; A941-M943 WeakPolarHBondContact O-CE 3.44Å; A941-M943 PolarHBondContact O-N 3.25Å
944	G	97	Very high	97.5	Very high	13 Å²	13	21.8 Å²	21.8	13%	0.134	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	114.1	-153.6	176.6	0	0	0	0	0	113.8	W848 D942 H946	W848-G944 PolarHBondContact N-O 3.04Å; W848-G944 PolarHBondContact O-N 2.93Å; D942-G944 PolarHBondContact O-N 2.72Å; G944-H946 PolarHBondContact O-CD2 3.46Å
945	V	98.1	Very high	97.4	Very high	92 Å²	92	22.4 Å²	22.4	56%	0.558	13%	0.131	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-92.9	124	-170	-176.8	0	0	0	0	111.4	V845 V846 D847	V845-V945 HydrophobicContact CG1-CG1 3.92Å; V846-V945 CarbonylContact O-C 3.52Å; V846-V945 WeakPolarHBondContact O-CA 3.41Å; D847-V945 HydrophobicContact CB-CG2 4.39Å
946	H	98.6	Very high	97.3	Very high	8 Å²	8	22.9 Å²	22.9	4%	0.037	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	144.3	174	-65.9	-92.9	0	0	0	110.7	V845 V846 L931 D942 G944 F948	V845-H946 CarbonylContact C-O 3.59Å; V845-H946 VanDerWaalsContact CA-O 3.28Å; V845-H946 WeakPolarHBondContact CA-O 3.48Å; V846-H946 PolarHBondContact N-O 2.94Å; V846-H946 PolarHBondContact O-N 3.39Å; L931-H946 HydrophobicContact CD1-CB 4.21Å; L931-H946 HydrophobicContact CD2-CB 4.14Å; D942-H946 PolarHBondContact O-NE2 3.23Å; D942-H946 IonicContact OD1-CE1 2.96Å; D942-H946 PolarHBondContact OD1-CE1 2.95Å; D942-H946 VanDerWaalsContact OD1-CE1 3.31Å; D942-H946 IonicContact OD1-NE2 2.73Å; G944-H946 PolarHBondContact O-CD2 3.46Å; H946-F948 HydrophobicContact CB-CD1 4.27Å; H946-F948 HydrophobicContact CB-CE1 4.26Å
947	S	98.2	Very high	97.1	Very high	47 Å²	47	23 Å²	23	33%	0.329	14%	0.136	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	130.6	170.1	177.2	0	0	0	0	109.5	K600 T844	K600-S947 WeakPolarHBondContact CD-O 3.5Å; K600-S947 PolarHBondContact NZ-O 2.88Å; T844-S947 WeakPolarHBondContact O-CA 3.26Å
948	F	98.4	Very high	96.9	Very high	1 Å²	1	30.4 Å²	30.4	0%	0.004	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155	161.7	180	51.9	-94.4	0	0	0	110.7	T844 V846 C915 K916 L930 L931 H946 Y950	T844-F948 HydrophobicContact CG2-CE2 3.88Å; T844-F948 HydrophobicContact CG2-CZ 3.83Å; T844-F948 PolarHBondContact N-O 3.29Å; T844-F948 PolarHBondContact O-N 3.13Å; V846-F948 HydrophobicContact CG2-CE1 4.03Å; V846-F948 HydrophobicContact CG2-CZ 3.99Å; C915-F948 WeakPolarHBondContact SG-CB 3.44Å; K916-F948 VanDerWaalsContact NZ-CD1 3.33Å; L930-F948 HydrophobicContact CB-CE2 4.38Å; L930-F948 HydrophobicContact CB-CZ 4Å; L930-F948 HydrophobicContact CD1-CE2 4.04Å; L930-F948 HydrophobicContact CD1-CZ 4.03Å; L930-F948 HydrophobicContact CD2-CD2 4.37Å; L930-F948 HydrophobicContact CD2-CE2 3.63Å; L930-F948 HydrophobicContact CD2-CZ 4.13Å; L930-F948 HydrophobicContact CG-CE2 4.23Å; L930-F948 HydrophobicContact CG-CZ 4.29Å; L931-F948 HydrophobicContact CD1-CE1 4.38Å; L931-F948 HydrophobicContact CG-CE1 4.39Å; H946-F948 HydrophobicContact CB-CD1 4.27Å; H946-F948 HydrophobicContact CB-CE1 4.26Å; F948-Y950 HydrophobicContact CD2-CD1 4.36Å; F948-Y950 HydrophobicContact CE2-CD1 4.34Å; F948-Y950 HydrophobicContact CE2-CE1 4.27Å
949	T	98.6	Very high	96.8	Very high	22 Å²	22	30.8 Å²	30.8	14%	0.135	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	131.4	-178.9	-56.5	0	0	0	0	109.7	E841 F842 D914 L977	E841-T949 HydrophobicContact CB-CG2 4.37Å; F842-T949 WeakPolarHBondContact O-CA 3.22Å; D914-T949 VanDerWaalsContact CG-N 3.27Å; D914-T949 PolarHBondContact N-O 3.41Å; D914-T949 PolarHBondContact OD1-N 2.87Å; D914-T949 PolarHBondContact OD2-N 2.89Å; T949-L977 HydrophobicContact CG2-CD1 3.98Å
950	Y	98.8	Very high	96.8	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	165.4	162	57.1	-91.5	0	0	0	109.7	N768 F770 Q829 F842 T844 V857 F859 I912 L928 L930 F948	N768-Y950 PolarHBondContact OD1-OH 3.06Å; F770-Y950 WeakPolarHBondContact CZ-OH 3.29Å; Q829-Y950 PolarHBondContact NE2-OH 3.49Å; F842-Y950 HydrophobicContact CB-CD1 4.33Å; F842-Y950 HydrophobicContact CB-CD2 3.63Å; F842-Y950 HydrophobicContact CB-CE1 4.09Å; F842-Y950 HydrophobicContact CB-CE2 3.32Å; F842-Y950 HydrophobicContact CB-CG 4.14Å; F842-Y950 HydrophobicContact CD1-CE2 4.11Å; F842-Y950 AromaticContact CD2-CD2 3.62Å; F842-Y950 HydrophobicContact CD2-CD2 3.62Å; F842-Y950 AromaticContact CD2-CE2 3.57Å; F842-Y950 HydrophobicContact CD2-CE2 3.57Å; F842-Y950 HydrophobicContact CE2-CE2 4.44Å; F842-Y950 AromaticContact CG-CD2 3.83Å; F842-Y950 HydrophobicContact CG-CD2 3.83Å; F842-Y950 AromaticContact CG-CE2 3.39Å; F842-Y950 HydrophobicContact CG-CE2 3.39Å; F842-Y950 PolarHBondContact N-O 3.04Å; F842-Y950 PolarHBondContact O-N 3.15Å; T844-Y950 WeakPolarHBondContact OG1-CE1 3.48Å; V857-Y950 HydrophobicContact CG1-CE1 4.2Å; V857-Y950 HydrophobicContact CG1-CE2 4.46Å; F859-Y950 HydrophobicContact CE1-CE2 4.29Å; F859-Y950 AromaticContact CZ-CD2 3.94Å; F859-Y950 HydrophobicContact CZ-CD2 3.94Å; F859-Y950 AromaticContact CZ-CE2 3.62Å; F859-Y950 HydrophobicContact CZ-CE2 3.62Å; I912-Y950 CarbonylContact O-C 3.54Å; I912-Y950 WeakPolarHBondContact O-CA 3.5Å; I912-Y950 WeakPolarHBondContact O-CB 3.5Å; L928-Y950 HydrophobicContact CD2-CD1 4.17Å; L928-Y950 HydrophobicContact CD2-CG 4.1Å; L930-Y950 HydrophobicContact CD2-CE1 4.46Å; F948-Y950 HydrophobicContact CD2-CD1 4.36Å; F948-Y950 HydrophobicContact CE2-CD1 4.34Å; F948-Y950 HydrophobicContact CE2-CE1 4.27Å
951	A	98.6	Very high	96.6	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	148.9	178.2	0	0	0	0	0	110.8	Y839 V840 E841 V911 I912 L977	Y839-A951 HydrophobicContact CD2-CB 3.65Å; Y839-A951 HydrophobicContact CE2-CB 4.31Å; Y839-A951 HydrophobicContact CG-CB 4.29Å; V840-A951 CarbonylContact O-C 3.56Å; V840-A951 WeakPolarHBondContact O-CA 3.36Å; V840-A951 VanDerWaalsContact O-CB 3.31Å; V840-A951 WeakPolarHBondContact O-CB 3.37Å; E841-A951 HydrophobicContact CG-CB 4.37Å; V911-A951 WeakPolarHBondContact CA-O 3.37Å; I912-A951 HydrophobicContact CB-CB 4.29Å; I912-A951 PolarHBondContact N-O 2.81Å; I912-A951 PolarHBondContact O-N 2.86Å; A951-L977 HydrophobicContact CB-CD2 4.46Å
952	L	98.4	Very high	96.3	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	120.6	174.7	-164.7	67.8	0	0	0	108.4	M740 I748 L751 Y839 V840 F842 F859 V909 V911	M740-L952 HydrophobicContact CE-CD2 4.4Å; I748-L952 HydrophobicContact CD1-CD2 3.84Å; L751-L952 HydrophobicContact CD2-CD2 3.67Å; L751-L952 HydrophobicContact CD2-CG 4.15Å; Y839-L952 WeakPolarHBondContact CA-O 3.46Å; Y839-L952 WeakPolarHBondContact CB-O 3.33Å; V840-L952 PolarHBondContact N-O 2.85Å; V840-L952 PolarHBondContact O-N 2.84Å; F842-L952 HydrophobicContact CE2-CB 3.68Å; F842-L952 HydrophobicContact CZ-CB 4.34Å; F859-L952 HydrophobicContact CD1-CD1 3.76Å; F859-L952 HydrophobicContact CD1-CD2 4.1Å; F859-L952 HydrophobicContact CE1-CD1 4.05Å; F859-L952 HydrophobicContact CE1-CD2 4.35Å; F859-L952 HydrophobicContact CG-CD1 4.27Å; V909-L952 HydrophobicContact CG1-CD1 3.42Å; V909-L952 VanDerWaalsContact CG1-CD1 3.42Å; V909-L952 HydrophobicContact CG1-CG 3.86Å; V911-L952 HydrophobicContact CG2-CD1 3.76Å
953	M	97.5	Very high	95.9	Very high	2 Å²	2	35 Å²	35	1%	0.01	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	102.4	-178.3	-174	170.9	170.6	0	0	109.6	P838 Y839 V909 S910 I912 V970 A973	P838-M953 HydrophobicContact CB-CE 4.27Å; P838-M953 HydrophobicContact CG-CE 4.05Å; Y839-M953 HydrophobicContact CD1-SD 4.32Å; V909-M953 WeakPolarHBondContact CA-O 3.4Å; S910-M953 PolarHBondContact N-O 3.04Å; S910-M953 PolarHBondContact O-N 2.93Å; I912-M953 HydrophobicContact CD1-CB 4.02Å; I912-M953 HydrophobicContact CD1-SD 4.09Å; M953-V970 HydrophobicContact CE-CG2 4.28Å; M953-V970 HydrophobicContact SD-CG2 4.05Å; M953-A973 HydrophobicContact CE-CB 4.44Å; M953-A973 HydrophobicContact SD-CB 3.57Å; M953-A973 VanDerWaalsContact SD-CB 3.57Å
954	P	96.9	Very high	95.3	Very high	4 Å²	4	37.1 Å²	37.1	3%	0.026	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	145.5	162.9	31.8	-31.4	0	0	0	109.3	V738 L751 L753 L760 G908 V909	V738-P954 HydrophobicContact CB-CG 4.47Å; V738-P954 HydrophobicContact CG2-CG 3.54Å; L751-P954 HydrophobicContact CD1-CG 4.07Å; L751-P954 HydrophobicContact CD2-CB 4.18Å; L751-P954 HydrophobicContact CD2-CG 4.26Å; L751-P954 HydrophobicContact CG-CB 4.37Å; L751-P954 HydrophobicContact CG-CG 4.19Å; L753-P954 HydrophobicContact CD1-CB 4.29Å; L753-P954 HydrophobicContact CD2-CB 3.92Å; L753-P954 HydrophobicContact CD2-CG 3.99Å; L753-P954 HydrophobicContact CG-CB 3.93Å; L753-P954 HydrophobicContact CG-CG 4.35Å; L760-P954 HydrophobicContact CD1-CB 3.64Å; G908-P954 CarbonylContact O-C 3.53Å; G908-P954 WeakPolarHBondContact O-CA 3.44Å; V909-P954 HydrophobicContact CG2-CB 4.3Å
955	H	95.8	Very high	95	Very high	12 Å²	12	38.7 Å²	38.7	6%	0.056	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	159.2	179.6	67	82.5	0	0	0	112.3	L753 D901 S903 S907 G908 S910 G957 V970	L753-H955 WeakPolarHBondContact CD1-O 3.3Å; D901-H955 IonicContact OD1-CD2 3.3Å; D901-H955 IonicContact OD1-CE1 3.33Å; D901-H955 IonicContact OD1-NE2 3.6Å; D901-H955 PolarHBondContact OD1-NE2 2.63Å; D901-H955 IonicContact OD2-NE2 3.91Å; S903-H955 PolarHBondContact OG-CE1 2.87Å; S903-H955 PolarHBondContact OG-NE2 3.03Å; S907-H955 WeakPolarHBondContact CA-O 3.27Å; G908-H955 PolarHBondContact N-O 2.69Å; G908-H955 PolarHBondContact O-N 3.14Å; S910-H955 PolarHBondContact OG-CD2 3.19Å; H955-G957 PolarHBondContact ND1-O 2.82Å; H955-V970 HydrophobicContact CB-CG2 4.43Å
956	R	93.1	Very high	94.5	Very high	54 Å²	54	35.4 Å²	35.4	20%	0.204	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	134.7	177	-64.4	176.6	179.3	-92.1	0.6	109.6	L753 P754 D756 T963	L753-R956 HydrophobicContact CD1-CG 3.81Å; P754-R956 PolarHBondContact O-NH2 3.16Å; D756-R956 IonicContact OD1-CZ 3.95Å; D756-R956 IonicContact OD1-NH1 2.83Å; D756-R956 PolarHBondContact OD1-NH1 3.39Å; D756-R956 IonicContact OD1-NH2 2.97Å; D756-R956 PolarHBondContact OD1-NH2 2.76Å; D756-R956 IonicContact OD2-CZ 3.53Å; D756-R956 IonicContact OD2-NH1 2.95Å; D756-R956 PolarHBondContact OD2-NH1 3.4Å; D756-R956 IonicContact OD2-NH2 3.19Å; D756-R956 PolarHBondContact OD2-NH2 3.01Å; R956-T963 HydrophobicContact CB-CG2 3.74Å; R956-T963 VanDerWaalsContact O-CB 3.31Å; R956-T963 WeakPolarHBondContact O-CB 3.44Å; R956-T963 PolarHBondContact O-OG1 3.27Å
957	G	91.2	Very high	94.1	Very high	21 Å²	21	38.3 Å²	38.3	22%	0.216	22%	0.218	C	C	.	.	S	Bend	trans	69.1	-128.6	179.2	0	0	0	0	0	111.5	D906 H955	D906-G957 PolarHBondContact O-N 2.87Å; H955-G957 PolarHBondContact ND1-O 2.82Å
958	R	92.8	Very high	94	Very high	159 Å²	159	36.4 Å²	36.4	60%	0.6	20%	0.204	S	C	*	.			trans	-90.1	136.2	-173.2	-68.7	178.5	-179.3	172.2	-2.9	110.9	Q960 E961	R958-Q960 PolarHBondContact O-N 2.87Å; R958-Q960 VanDerWaalsContact O-N 3.11Å; R958-E961 IonicContact NH1-OE1 2.74Å; R958-E961 PolarHBondContact O-N 2.89Å
959	F	95.7	Very high	93.9	Very high	15 Å²	15	36.7 Å²	36.7	7%	0.066	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-23.6	178	68.8	-94.9	0	0	0	113.4	T869 H876 W899 E961 S969 V970 I971	T869-F959 HydrophobicContact CG2-CE1 3.93Å; T869-F959 HydrophobicContact CG2-CE2 4.49Å; T869-F959 HydrophobicContact CG2-CZ 3.74Å; H876-F959 AromaticContact CD2-CZ 3.74Å; H876-F959 AromaticContact CE1-CE2 3.87Å; H876-F959 AromaticContact CE1-CZ 3.63Å; H876-F959 AromaticContact ND1-CE2 3.92Å; H876-F959 AromaticContact ND1-CZ 3.96Å; H876-F959 AromaticContact NE2-CZ 3.48Å; H876-F959 WeakPolarHBondContact NE2-CZ 3.41Å; W899-F959 AromaticContact CH2-CD2 3.57Å; W899-F959 HydrophobicContact CH2-CD2 3.57Å; W899-F959 AromaticContact CH2-CE2 3.25Å; W899-F959 HydrophobicContact CH2-CE2 3.25Å; W899-F959 HydrophobicContact CH2-CG 4.41Å; W899-F959 AromaticContact CH2-CZ 3.86Å; W899-F959 HydrophobicContact CH2-CZ 3.86Å; W899-F959 HydrophobicContact CZ2-CD2 4.07Å; W899-F959 AromaticContact CZ2-CE2 3.79Å; W899-F959 HydrophobicContact CZ2-CE2 3.79Å; W899-F959 HydrophobicContact CZ3-CD2 4.02Å; W899-F959 HydrophobicContact CZ3-CE2 4.07Å; W899-F959 HydrophobicContact CZ3-CG 4.5Å; F959-E961 VanDerWaalsContact C-N 3.3Å; F959-S969 WeakPolarHBondContact O-CB 3.27Å; F959-V970 HydrophobicContact CB-CB 4.03Å; F959-V970 HydrophobicContact CB-CG2 3.79Å; F959-V970 WeakPolarHBondContact O-CB 3.44Å; F959-V970 PolarHBondContact O-N 2.8Å; F959-I971 HydrophobicContact CD2-CG1 4.44Å; F959-I971 HydrophobicContact CE2-CD1 4.4Å
960	Q	95.3	Very high	93.8	Very high	34 Å²	34	35.7 Å²	35.7	16%	0.159	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-25.1	176.3	-63	91	-25.4	0	0	113.4	R958 S969 I971 L1007 G1030	R958-Q960 PolarHBondContact O-N 2.87Å; R958-Q960 VanDerWaalsContact O-N 3.11Å; Q960-S969 WeakPolarHBondContact O-CB 3.43Å; Q960-S969 PolarHBondContact O-OG 2.91Å; Q960-I971 HydrophobicContact CG-CD1 4.37Å; Q960-L1007 HydrophobicContact CB-CD2 3.95Å; Q960-G1030 PolarHBondContact NE2-O 2.84Å
961	E	92	Very high	93.8	Very high	98 Å²	98	36 Å²	36	46%	0.458	20%	0.201	S	C	.	.	S	Bend	trans	-110	137.8	-167.7	-67.7	175	-153.9	0	0	111.2	R958 F959 T963	R958-E961 IonicContact NH1-OE1 2.74Å; R958-E961 PolarHBondContact O-N 2.89Å; F959-E961 VanDerWaalsContact C-N 3.3Å; E961-T963 PolarHBondContact O-N 2.91Å
962	A	91.5	Very high	93.7	Very high	50 Å²	50	36.6 Å²	36.6	41%	0.413	20%	0.204	S	C	.	.			trans	-79.2	96.3	169.8	0	0	0	0	0	108.9	V968	A962-V968 VanDerWaalsContact CB-C 3.5Å
963	T	89.1	Confident	93.7	Very high	48 Å²	48	36.6 Å²	36.6	29%	0.294	20%	0.204	S	C	.	.			trans	-87.9	126.7	178	-53.6	0	0	0	0	110.6	R956 E961 S966	R956-T963 HydrophobicContact CB-CG2 3.74Å; R956-T963 VanDerWaalsContact O-CB 3.31Å; R956-T963 WeakPolarHBondContact O-CB 3.44Å; R956-T963 PolarHBondContact O-OG1 3.27Å; E961-T963 PolarHBondContact O-N 2.91Å; T963-S966 VanDerWaalsContact O-CB 3.27Å; T963-S966 WeakPolarHBondContact O-CB 3.4Å; T963-S966 PolarHBondContact O-N 2.81Å
964	S	86.5	Confident	93.7	Very high	100 Å²	100	36.5 Å²	36.5	70%	0.699	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.3	134.8	177.2	-175.2	0	0	0	0	111.5
965	P	89.2	Confident	93.7	Very high	46 Å²	46	36.5 Å²	36.5	30%	0.299	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	cis	-85.4	-1.4	9.1	32.1	-33	0	0	0	115.4	K736 F737	K736-P965 HydrophobicContact CG-CB 4.29Å; K736-P965 HydrophobicContact CG-CG 4.47Å; F737-P965 HydrophobicContact CD1-CB 4.06Å; F737-P965 HydrophobicContact CD1-CG 3.98Å; F737-P965 HydrophobicContact CE1-CB 4.14Å; F737-P965 WeakPolarHBondContact CE1-O 3.45Å
966	S	88.4	Confident	93.8	Very high	22 Å²	22	37.1 Å²	37.1	15%	0.154	21%	0.206	C	C	.	.			trans	-60.2	130.9	-175.9	-170.3	0	0	0	0	111.7	P838 T963 V968	P838-S966 WeakPolarHBondContact CB-OG 3.31Å; T963-S966 VanDerWaalsContact O-CB 3.27Å; T963-S966 WeakPolarHBondContact O-CB 3.4Å; T963-S966 PolarHBondContact O-N 2.81Å; S966-V968 VanDerWaalsContact C-N 3.31Å; S966-V968 PolarHBondContact OG-O 3.34Å
967	P	90.5	Very high	93.9	Very high	70 Å²	70	35.8 Å²	35.8	46%	0.455	20%	0.203	S	C	.	.	S	Bend	trans	-78.4	-16	177.5	32.1	-34.9	0	0	0	113.4
968	V	95	Very high	94.2	Very high	7 Å²	7	35.6 Å²	35.6	4%	0.042	20%	0.197	C	C	.	.	S	Bend	trans	-138.9	153	-173.3	-67.1	0	0	0	0	111.5	P838 A962 S966 Q972 A973	P838-V968 HydrophobicContact CG-CG2 3.68Å; A962-V968 VanDerWaalsContact CB-C 3.5Å; S966-V968 VanDerWaalsContact C-N 3.31Å; S966-V968 PolarHBondContact OG-O 3.34Å; V968-Q972 HydrophobicContact CB-CB 3.84Å; V968-Q972 HydrophobicContact CG1-CB 4.19Å; V968-A973 HydrophobicContact CG2-CB 4.16Å
969	S	96.5	Very high	94.3	Very high	6 Å²	6	28 Å²	28	4%	0.042	17%	0.168	C	C	.	.			trans	-80.1	172.6	168.9	72.6	0	0	0	0	111.6	F959 Q960 I971 Q972 A973	F959-S969 WeakPolarHBondContact O-CB 3.27Å; Q960-S969 WeakPolarHBondContact O-CB 3.43Å; Q960-S969 PolarHBondContact O-OG 2.91Å; S969-I971 VanDerWaalsContact C-N 3.29Å; S969-I971 PolarHBondContact O-N 2.84Å; S969-Q972 PolarHBondContact O-N 2.83Å; S969-Q972 PolarHBondContact OG-N 3.17Å; S969-A973 WeakPolarHBondContact O-CB 3.5Å; S969-A973 PolarHBondContact O-N 2.92Å
970	V	97.9	Very high	94.2	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.006	18%	0.184	C	C	.	.	H	α-helix	trans	-62.1	-39.9	176.3	174.4	0	0	0	0	111	W899 S910 M953 H955 F959 Q972 A973 A974	W899-V970 HydrophobicContact CB-CG1 4.3Å; W899-V970 HydrophobicContact CD2-CG1 3.99Å; W899-V970 HydrophobicContact CE3-CG1 4.15Å; W899-V970 HydrophobicContact CG-CG1 4.06Å; S910-V970 WeakPolarHBondContact OG-CG1 3.33Å; S910-V970 WeakPolarHBondContact OG-CG2 3.45Å; M953-V970 HydrophobicContact CE-CG2 4.28Å; M953-V970 HydrophobicContact SD-CG2 4.05Å; H955-V970 HydrophobicContact CB-CG2 4.43Å; F959-V970 HydrophobicContact CB-CB 4.03Å; F959-V970 HydrophobicContact CB-CG2 3.79Å; F959-V970 WeakPolarHBondContact O-CB 3.44Å; F959-V970 PolarHBondContact O-N 2.8Å; V970-Q972 PolarHBondContact O-N 3.25Å; V970-A973 PolarHBondContact O-N 2.96Å; V970-A974 WeakPolarHBondContact O-CB 3.46Å; V970-A974 PolarHBondContact O-N 3.05Å
971	I	97.8	Very high	94.2	Very high	6 Å²	6	29.9 Å²	29.9	3%	0.031	18%	0.183	C	C	.	.	H	α-helix	trans	-59.9	-49.2	177.3	-59.8	173.8	0	0	0	109.6	W899 F959 Q960 S969 A974 Y975	W899-I971 HydrophobicContact CZ2-CG1 4.14Å; F959-I971 HydrophobicContact CD2-CG1 4.44Å; F959-I971 HydrophobicContact CE2-CD1 4.4Å; Q960-I971 HydrophobicContact CG-CD1 4.37Å; S969-I971 VanDerWaalsContact C-N 3.29Å; S969-I971 PolarHBondContact O-N 2.84Å; I971-A974 PolarHBondContact O-N 2.81Å; I971-Y975 HydrophobicContact CG2-CD2 4.42Å; I971-Y975 HydrophobicContact CG2-CE2 4.4Å; I971-Y975 WeakPolarHBondContact O-CD2 3.36Å; I971-Y975 PolarHBondContact O-N 2.9Å
972	Q	97.2	Very high	94.3	Very high	13 Å²	13	27.1 Å²	27.1	6%	0.061	17%	0.169	C	C	.	.	H	α-helix	trans	-64.1	-46.2	179	-70.9	177.4	-47.2	0	0	111.9	W690 V968 S969 V970 A974 Y975 E976	W690-Q972 HydrophobicContact CD2-CB 4.33Å; W690-Q972 HydrophobicContact CD2-CG 3.86Å; W690-Q972 HydrophobicContact CE3-CG 3.96Å; W690-Q972 HydrophobicContact CH2-CB 4.2Å; W690-Q972 HydrophobicContact CH2-CG 3.9Å; W690-Q972 HydrophobicContact CZ2-CB 3.67Å; W690-Q972 HydrophobicContact CZ2-CG 3.8Å; W690-Q972 WeakPolarHBondContact CZ2-O 3.46Å; W690-Q972 HydrophobicContact CZ3-CG 3.98Å; V968-Q972 HydrophobicContact CB-CB 3.84Å; V968-Q972 HydrophobicContact CG1-CB 4.19Å; S969-Q972 PolarHBondContact O-N 2.83Å; S969-Q972 PolarHBondContact OG-N 3.17Å; V970-Q972 PolarHBondContact O-N 3.25Å; Q972-A974 PolarHBondContact O-N 3.29Å; Q972-Y975 WeakPolarHBondContact O-CB 3.14Å; Q972-Y975 PolarHBondContact O-N 3.11Å; Q972-Y975 VanDerWaalsContact O-N 3.11Å; Q972-E976 WeakPolarHBondContact O-CG 3.47Å; Q972-E976 PolarHBondContact O-N 2.7Å
973	A	97.1	Very high	94.3	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-57.7	-37.6	176.4	0	0	0	0	0	112.4	Y839 I912 M953 V968 S969 V970 E976 L977	Y839-A973 HydrophobicContact CD1-CB 3.76Å; Y839-A973 HydrophobicContact CE1-CB 3.71Å; I912-A973 HydrophobicContact CD1-CB 3.74Å; M953-A973 HydrophobicContact CE-CB 4.44Å; M953-A973 HydrophobicContact SD-CB 3.57Å; M953-A973 VanDerWaalsContact SD-CB 3.57Å; V968-A973 HydrophobicContact CG2-CB 4.16Å; S969-A973 WeakPolarHBondContact O-CB 3.5Å; S969-A973 PolarHBondContact O-N 2.92Å; V970-A973 PolarHBondContact O-N 2.96Å; A973-E976 PolarHBondContact O-N 3.19Å; A973-L977 PolarHBondContact O-N 3.2Å
974	A	98.1	Very high	94.5	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-64.8	-40.5	175.9	0	0	0	0	0	113	K898 W899 I912 V970 I971 Q972 N978	K898-A974 HydrophobicContact CB-CB 3.93Å; W899-A974 HydrophobicContact CB-CB 4.3Å; W899-A974 VanDerWaalsContact CD1-CB 3.5Å; W899-A974 HydrophobicContact CG-CB 4.2Å; I912-A974 HydrophobicContact CG2-CB 3.8Å; V970-A974 WeakPolarHBondContact O-CB 3.46Å; V970-A974 PolarHBondContact O-N 3.05Å; I971-A974 PolarHBondContact O-N 2.81Å; Q972-A974 PolarHBondContact O-N 3.29Å; A974-N978 PolarHBondContact O-N 3.24Å; A974-N978 PolarHBondContact O-ND2 2.83Å
975	Y	97.6	Very high	94.4	Very high	4 Å²	4	23.9 Å²	23.9	2%	0.016	13%	0.13	C	C	.	.	H	α-helix	trans	-65.5	-40	170.5	-88.1	-87.7	0	0	0	112.2	F607 L688 W690 I971 Q972 L977 N978 S979 V1009 E1011 Y1027	F607-Y975 AromaticContact CE1-CD1 3.95Å; F607-Y975 HydrophobicContact CE1-CD1 3.95Å; F607-Y975 HydrophobicContact CE1-CE1 4.23Å; F607-Y975 HydrophobicContact CZ-CD1 4.28Å; F607-Y975 HydrophobicContact CZ-CE1 4.46Å; L688-Y975 HydrophobicContact CD2-CD1 3.79Å; L688-Y975 HydrophobicContact CD2-CG 4.21Å; W690-Y975 HydrophobicContact CH2-CD2 4.19Å; W690-Y975 HydrophobicContact CH2-CG 4.04Å; W690-Y975 HydrophobicContact CZ2-CG 4.47Å; I971-Y975 HydrophobicContact CG2-CD2 4.42Å; I971-Y975 HydrophobicContact CG2-CE2 4.4Å; I971-Y975 WeakPolarHBondContact O-CD2 3.36Å; I971-Y975 PolarHBondContact O-N 2.9Å; Q972-Y975 WeakPolarHBondContact O-CB 3.14Å; Q972-Y975 PolarHBondContact O-N 3.11Å; Q972-Y975 VanDerWaalsContact O-N 3.11Å; Y975-L977 PolarHBondContact O-N 3.45Å; Y975-N978 PolarHBondContact O-N 3.27Å; Y975-S979 WeakPolarHBondContact O-CB 3.42Å; Y975-S979 PolarHBondContact O-N 3.44Å; Y975-V1009 HydrophobicContact CE2-CG1 4.2Å; Y975-E1011 WeakPolarHBondContact CE1-OE2 3.16Å; Y975-E1011 PolarHBondContact OH-OE2 2.6Å; Y975-Y1027 WeakPolarHBondContact CE2-OH 3.32Å; Y975-Y1027 PolarHBondContact OH-OH 2.86Å
976	E	96.4	Very high	93.9	Very high	25 Å²	25	21.9 Å²	21.9	12%	0.117	12%	0.117	C	C	.	.	H	α-helix	trans	-62.1	-42	179.9	-71	-168.1	173.8	0	0	112.8	L688 W690 R692 Q972 A973 N978	L688-E976 HydrophobicContact CD1-CG 4.22Å; W690-E976 PolarHBondContact NE1-OE1 2.73Å; R692-E976 WeakPolarHBondContact CG-OE1 3.37Å; Q972-E976 WeakPolarHBondContact O-CG 3.47Å; Q972-E976 PolarHBondContact O-N 2.7Å; A973-E976 PolarHBondContact O-N 3.19Å; E976-N978 VanDerWaalsContact C-N 3.3Å; E976-N978 PolarHBondContact O-N 2.92Å
977	L	96.5	Very high	93.4	Very high	26 Å²	26	23.2 Å²	23.2	14%	0.136	13%	0.125	C	C	.	.	H	α-helix	trans	-62.3	-38.2	176	-174.2	68.2	0	0	0	112	E841 I912 T949 A951 A973 Y975	E841-L977 HydrophobicContact CG-CD1 4.36Å; I912-L977 HydrophobicContact CB-CD2 4.39Å; I912-L977 HydrophobicContact CG2-CB 4.28Å; I912-L977 HydrophobicContact CG2-CD2 3.69Å; T949-L977 HydrophobicContact CG2-CD1 3.98Å; A951-L977 HydrophobicContact CB-CD2 4.46Å; A973-L977 PolarHBondContact O-N 3.2Å; Y975-L977 PolarHBondContact O-N 3.45Å
978	N	97.5	Very high	92.8	Very high	17 Å²	17	20 Å²	20	9%	0.091	11%	0.105	C	C	.	.	H	α-helix	trans	-89.9	-20.7	-173.8	-74.1	-94.6	0	0	0	113.8	R603 F607 K898 N913 D914 A974 Y975 E976 P980	R603-N978 WeakPolarHBondContact CD-OD1 3.5Å; R603-N978 PolarHBondContact NH1-OD1 3.34Å; F607-N978 HydrophobicContact CD2-CB 3.97Å; F607-N978 HydrophobicContact CE1-CB 4.34Å; F607-N978 HydrophobicContact CE2-CB 3.41Å; F607-N978 VanDerWaalsContact CE2-CB 3.41Å; F607-N978 HydrophobicContact CZ-CB 3.61Å; K898-N978 HydrophobicContact CD-CB 4.4Å; N913-N978 PolarHBondContact O-ND2 2.96Å; N913-N978 PolarHBondContact O-OD1 2.82Å; D914-N978 WeakPolarHBondContact CA-OD1 3.43Å; D914-N978 PolarHBondContact O-OD1 3.06Å; A974-N978 PolarHBondContact O-N 3.24Å; A974-N978 PolarHBondContact O-ND2 2.83Å; Y975-N978 PolarHBondContact O-N 3.27Å; E976-N978 VanDerWaalsContact C-N 3.3Å; E976-N978 PolarHBondContact O-N 2.92Å; N978-P980 WeakPolarHBondContact O-CD 3.37Å
979	S	95.4	Very high	92.1	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.114	C	C	.	.	S	Bend	trans	-119.8	78.7	179.6	-177.3	0	0	0	0	110.4	R692 Y975	R692-S979 VanDerWaalsContact CZ-O 3.25Å; R692-S979 PolarHBondContact NH1-O 3.37Å; R692-S979 PolarHBondContact NH2-O 2.8Å; Y975-S979 WeakPolarHBondContact O-CB 3.42Å; Y975-S979 PolarHBondContact O-N 3.44Å
980	P	93	Very high	91	Very high	60 Å²	60	22 Å²	22	39%	0.39	12%	0.115	S	C	.	.	P	Polyproline II helix	trans	-62.5	148.3	-177.4	26.6	-35.3	0	0	0	111.9	N978 R982	N978-P980 WeakPolarHBondContact O-CD 3.37Å; P980-R982 PolarHBondContact O-N 3.05Å
981	I	94.8	Very high	89.9	Confident	28 Å²	28	29.8 Å²	29.8	14%	0.144	15%	0.149	C	C	.	.	P	Polyproline II helix	trans	-57.3	125.5	170.6	-72.8	-74.2	0	0	0	108.6	F684 N686 R692 V694 V703	F684-I981 HydrophobicContact CB-CG2 3.82Å; F684-I981 HydrophobicContact CD1-CG2 3.42Å; F684-I981 VanDerWaalsContact CD1-CG2 3.42Å; F684-I981 HydrophobicContact CE1-CG2 4.12Å; F684-I981 HydrophobicContact CG-CG2 3.73Å; N686-I981 HydrophobicContact CB-CD1 3.71Å; R692-I981 HydrophobicContact CB-CD1 4.36Å; R692-I981 VanDerWaalsContact CZ-CD1 3.45Å; R692-I981 VanDerWaalsContact NH2-CG1 3.34Å; V694-I981 HydrophobicContact CB-CG1 4.38Å; V694-I981 HydrophobicContact CG1-CG1 4.4Å; V703-I981 HydrophobicContact CB-CD1 3.78Å; V703-I981 HydrophobicContact CG1-CD1 3.92Å; V703-I981 HydrophobicContact CG2-CD1 3.95Å; V703-I981 HydrophobicContact CG2-CG1 4.48Å; V703-I981 HydrophobicContact CG2-CG2 4.47Å
982	R	93.7	Very high	89	Confident	40 Å²	40	37.6 Å²	37.6	15%	0.151	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	128.4	178.5	-56.4	-63	-176.3	-172.8	-4.2	109.8	D611 F684 M685 P980 I984	D611-R982 IonicContact OD2-CZ 2.98Å; D611-R982 IonicContact OD2-NE 3.56Å; D611-R982 PolarHBondContact OD2-NE 3.12Å; D611-R982 IonicContact OD2-NH2 2.76Å; D611-R982 PolarHBondContact OD2-NH2 3.34Å; F684-R982 WeakPolarHBondContact CA-O 3.26Å; M685-R982 HydrophobicContact CB-CB 4.39Å; M685-R982 HydrophobicContact CE-CB 4.28Å; M685-R982 HydrophobicContact CE-CG 4.16Å; M685-R982 PolarHBondContact N-O 3.4Å; M685-R982 PolarHBondContact O-N 3.16Å; P980-R982 PolarHBondContact O-N 3.05Å; R982-I984 HydrophobicContact CB-CG2 4.03Å
983	R	93	Very high	88.2	Confident	59 Å²	59	40.1 Å²	40.1	22%	0.223	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	111.3	167.2	-168.7	171	177.7	178.4	-3.7	108.1	V677 S678 P679 G681 F683 F684 E697 I711	V677-R983 WeakPolarHBondContact CA-O 3.43Å; S678-R983 PolarHBondContact N-O 3.1Å; S678-R983 WeakPolarHBondContact O-CG 3.25Å; P679-R983 VanDerWaalsContact O-CD 3.23Å; P679-R983 WeakPolarHBondContact O-CD 3.33Å; P679-R983 PolarHBondContact O-NE 2.8Å; P679-R983 PolarHBondContact O-NH1 3.09Å; G681-R983 VanDerWaalsContact O-CG 3.26Å; G681-R983 WeakPolarHBondContact O-CG 3.38Å; G681-R983 PolarHBondContact O-NE 3.31Å; G681-R983 PolarHBondContact O-NH2 2.82Å; F683-R983 WeakPolarHBondContact O-CA 3.22Å; F684-R983 HydrophobicContact CD1-CB 4.29Å; F684-R983 HydrophobicContact CD1-CG 4.49Å; F684-R983 HydrophobicContact CE1-CB 4.17Å; F684-R983 HydrophobicContact CE1-CG 4.22Å; E697-R983 IonicContact OE1-NH1 3.52Å; I711-R983 HydrophobicContact CD1-CG 4.02Å; I711-R983 VanDerWaalsContact CD1-NE 3.28Å
984	I	91.6	Very high	87.2	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	144.3	-172.9	65.2	174.3	0	0	0	111.1	L675 G681 R682 F683 M685 I708 R982	L675-I984 WeakPolarHBondContact O-CG2 3.41Å; G681-I984 CarbonylContact C-O 3.53Å; G681-I984 VanDerWaalsContact CA-O 3.3Å; G681-I984 WeakPolarHBondContact CA-O 3.32Å; R682-I984 PolarHBondContact N-O 3.2Å; F683-I984 HydrophobicContact CB-CG1 3.91Å; F683-I984 PolarHBondContact N-O 3.39Å; F683-I984 PolarHBondContact O-N 3.07Å; M685-I984 HydrophobicContact CB-CD1 4.25Å; I708-I984 HydrophobicContact CD1-CD1 4.4Å; I708-I984 HydrophobicContact CG2-CD1 4.18Å; R982-I984 HydrophobicContact CB-CG2 4.03Å
985	D	86.1	Confident	86.3	Confident	71 Å²	71	46.7 Å²	46.7	38%	0.38	23%	0.232	S	C	.	.			trans	-94.5	110.2	171.7	-167.9	25.9	0	0	0	110.9	K676 R682	K676-D985 PolarHBondContact O-N 2.87Å; R682-D985 IonicContact NE-OD1 3.93Å; R682-D985 IonicContact NH2-OD1 2.66Å
986	F	77.2	Confident	85.6	Confident	4 Å²	4	54.5 Å²	54.5	2%	0.018	26%	0.261	C	S	.	.			trans	-110.1	136.5	-176.4	-170.5	-112.7	0	0	0	108.8	R682 F683 A988 F1098 F1099 F1102	R682-F986 PolarHBondContact NH2-O 2.81Å; F683-F986 HydrophobicContact CD2-CB 3.48Å; F683-F986 VanDerWaalsContact CD2-CB 3.48Å; F683-F986 HydrophobicContact CD2-CG 4.44Å; F683-F986 HydrophobicContact CE1-CD1 4.47Å; F683-F986 HydrophobicContact CE2-CB 3.59Å; F683-F986 HydrophobicContact CE2-CD1 4.06Å; F683-F986 HydrophobicContact CE2-CG 4.3Å; F683-F986 HydrophobicContact CG-CB 4.2Å; F683-F986 HydrophobicContact CZ-CB 4.35Å; F683-F986 AromaticContact CZ-CD1 3.99Å; F683-F986 HydrophobicContact CZ-CD1 3.99Å; F986-A988 HydrophobicContact CD1-CB 3.68Å; F986-A988 HydrophobicContact CE1-CB 3.81Å; F986-A988 PolarHBondContact O-N 2.82Å; F986-F1098 HydrophobicContact CE1-CB 3.59Å; F986-F1098 HydrophobicContact CE1-CG 4.43Å; F986-F1098 HydrophobicContact CZ-CB 3.63Å; F986-F1099 HydrophobicContact CD2-CD1 4.39Å; F986-F1099 HydrophobicContact CD2-CE1 4.1Å; F986-F1099 HydrophobicContact CE1-CE1 4.36Å; F986-F1099 HydrophobicContact CE1-CZ 4.49Å; F986-F1099 AromaticContact CE2-CD1 3.15Å; F986-F1099 HydrophobicContact CE2-CD1 3.15Å; F986-F1099 AromaticContact CE2-CE1 3.11Å; F986-F1099 HydrophobicContact CE2-CE1 3.11Å; F986-F1099 HydrophobicContact CE2-CG 4.06Å; F986-F1099 AromaticContact CE2-CZ 3.97Å; F986-F1099 HydrophobicContact CE2-CZ 3.97Å; F986-F1099 AromaticContact CZ-CD1 3.28Å; F986-F1099 HydrophobicContact CZ-CD1 3.28Å; F986-F1099 HydrophobicContact CZ-CD2 4.11Å; F986-F1099 AromaticContact CZ-CE1 3.26Å; F986-F1099 HydrophobicContact CZ-CE1 3.26Å; F986-F1099 HydrophobicContact CZ-CE2 4.09Å; F986-F1099 AromaticContact CZ-CG 3.76Å; F986-F1099 HydrophobicContact CZ-CG 3.76Å; F986-F1099 AromaticContact CZ-CZ 3.68Å; F986-F1099 HydrophobicContact CZ-CZ 3.68Å; F986-F1102 AromaticContact CD2-CD2 3.59Å; F986-F1102 HydrophobicContact CD2-CD2 3.59Å; F986-F1102 HydrophobicContact CD2-CE2 4.14Å; F986-F1102 HydrophobicContact CD2-CG 4.33Å; F986-F1102 HydrophobicContact CE2-CB 4.09Å; F986-F1102 AromaticContact CE2-CD2 3.97Å; F986-F1102 HydrophobicContact CE2-CD2 3.97Å; F986-F1102 HydrophobicContact CE2-CG 4.26Å
987	P	77.8	Confident	85.1	Confident	50 Å²	50	55.9 Å²	55.9	33%	0.325	27%	0.272	S	S	.	.	S	Bend	trans	-78.1	50.8	-175.8	35.1	-38.5	0	0	0	111.2	F1098 L1101 F1102	P987-F1098 WeakPolarHBondContact CG-O 3.43Å; P987-F1098 WeakPolarHBondContact O-CD1 3.35Å; P987-L1101 HydrophobicContact CB-CB 4.42Å; P987-L1101 HydrophobicContact CG-CB 4.1Å; P987-F1102 HydrophobicContact CG-CB 3.93Å; P987-F1102 HydrophobicContact CG-CD2 4.36Å
988	A	78.4	Confident	84.9	Confident	3 Å²	3	55 Å²	55	3%	0.025	27%	0.268	C	S	.	.	S	Bend	trans	-133.7	148.8	167	0	0	0	0	0	108.6	R682 F683 F986 P990 L995 F1098	R682-A988 PolarHBondContact NH1-O 2.9Å; R682-A988 PolarHBondContact NH2-O 2.99Å; F683-A988 HydrophobicContact CZ-CB 4.32Å; F986-A988 HydrophobicContact CD1-CB 3.68Å; F986-A988 HydrophobicContact CE1-CB 3.81Å; F986-A988 PolarHBondContact O-N 2.82Å; A988-P990 WeakPolarHBondContact O-CD 3.44Å; A988-L995 HydrophobicContact CB-CD1 3.43Å; A988-L995 VanDerWaalsContact CB-CD1 3.43Å; A988-F1098 HydrophobicContact CB-CB 4.09Å; A988-F1098 HydrophobicContact CB-CD1 3.64Å; A988-F1098 HydrophobicContact CB-CD2 4Å; A988-F1098 HydrophobicContact CB-CE1 3.99Å; A988-F1098 HydrophobicContact CB-CE2 4.35Å; A988-F1098 HydrophobicContact CB-CG 3.63Å; A988-F1098 HydrophobicContact CB-CZ 4.34Å
989	D	80	Confident	84.7	Confident	44 Å²	44	58.1 Å²	58.1	24%	0.235	28%	0.28	C	S	.	.			trans	-97.3	107.2	170.6	-177.7	-29.3	0	0	0	108.5	K991 K992 D993	D989-K991 PolarHBondContact O-N 2.79Å; D989-K991 PolarHBondContact OD1-N 3.05Å; D989-K992 HydrophobicContact CB-CB 3.97Å; D989-K992 HydrophobicContact CB-CD 4.28Å; D989-K992 HydrophobicContact CB-CG 4.26Å; D989-K992 PolarHBondContact O-N 3.02Å; D989-K992 VanDerWaalsContact O-N 3.16Å; D989-K992 PolarHBondContact OD1-N 3.47Å; D989-K992 VanDerWaalsContact OD2-CD 3.29Å; D989-K992 WeakPolarHBondContact OD2-CD 3.41Å; D989-K992 WeakPolarHBondContact OD2-CE 3.3Å; D989-K992 WeakPolarHBondContact OD2-CG 3.38Å; D989-K992 IonicContact OD2-NZ 2.71Å; D989-D993 PolarHBondContact N-OD2 3.13Å; D989-D993 VanDerWaalsContact O-CB 3.27Å; D989-D993 WeakPolarHBondContact O-CB 3.23Å; D989-D993 PolarHBondContact O-N 3.31Å
990	P	74.5	Confident	84.7	Confident	12 Å²	12	58.3 Å²	58.3	8%	0.078	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51	-37.2	-175.5	-21.9	26.1	0	0	0	113.6	R682 F683 A710 A988 N994 L995	R682-P990 HydrophobicContact CB-CG 4.32Å; F683-P990 HydrophobicContact CE1-CG 4.09Å; F683-P990 HydrophobicContact CE2-CG 3.94Å; F683-P990 HydrophobicContact CZ-CB 4.38Å; F683-P990 HydrophobicContact CZ-CG 3.57Å; A710-P990 HydrophobicContact CB-CB 3.53Å; A710-P990 HydrophobicContact CB-CG 3.78Å; A988-P990 WeakPolarHBondContact O-CD 3.44Å; P990-N994 PolarHBondContact O-N 3.29Å; P990-L995 PolarHBondContact O-N 3.01Å
991	K	74.7	Confident	84.8	Confident	163 Å²	163	55.6 Å²	55.6	71%	0.709	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-42.8	-175.7	-68.5	-176.1	178.2	179.7	0	111.7	D712 D989	D712-K991 VanDerWaalsContact OD2-CE 3.26Å; D712-K991 WeakPolarHBondContact OD2-CE 3.09Å; D989-K991 PolarHBondContact O-N 2.79Å; D989-K991 PolarHBondContact OD1-N 3.05Å
992	K	78.4	Confident	84.9	Confident	171 Å²	171	56.5 Å²	56.5	74%	0.743	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-37.3	179.8	-66.7	-178.8	-175.3	171.6	0	112.4	D989 N994	D989-K992 HydrophobicContact CB-CB 3.97Å; D989-K992 HydrophobicContact CB-CD 4.28Å; D989-K992 HydrophobicContact CB-CG 4.26Å; D989-K992 PolarHBondContact O-N 3.02Å; D989-K992 VanDerWaalsContact O-N 3.16Å; D989-K992 PolarHBondContact OD1-N 3.47Å; D989-K992 VanDerWaalsContact OD2-CD 3.29Å; D989-K992 WeakPolarHBondContact OD2-CD 3.41Å; D989-K992 WeakPolarHBondContact OD2-CE 3.3Å; D989-K992 WeakPolarHBondContact OD2-CG 3.38Å; D989-K992 IonicContact OD2-NZ 2.71Å; K992-N994 VanDerWaalsContact C-N 3.35Å
993	D	80	Confident	85	Confident	65 Å²	65	55.6 Å²	55.6	35%	0.348	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91	-1.1	-173.4	-59	-42	0	0	0	112.8	D989 L995 F1098	D989-D993 PolarHBondContact N-OD2 3.13Å; D989-D993 VanDerWaalsContact O-CB 3.27Å; D989-D993 WeakPolarHBondContact O-CB 3.23Å; D989-D993 PolarHBondContact O-N 3.31Å; D993-L995 HydrophobicContact CB-CD2 4.29Å; D993-L995 HydrophobicContact CB-CG 3.97Å; D993-L995 PolarHBondContact O-N 3.01Å; D993-F1098 HydrophobicContact CB-CE2 4.09Å; D993-F1098 HydrophobicContact CB-CZ 3.68Å; D993-F1098 WeakPolarHBondContact OD2-CE1 3.46Å; D993-F1098 WeakPolarHBondContact OD2-CZ 3.39Å
994	N	76.5	Confident	85.1	Confident	133 Å²	133	57.8 Å²	57.8	71%	0.711	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.4	43.4	178.5	-163.6	24.3	0	0	0	112.7	P990 K992	P990-N994 PolarHBondContact O-N 3.29Å; K992-N994 VanDerWaalsContact C-N 3.35Å
995	L	79.4	Confident	85.2	Confident	5 Å²	5	59.3 Å²	59.3	3%	0.026	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-69.7	138.6	-176.9	-67.2	-179.9	0	0	0	110	F683 Q713 A988 P990 D993 Y1095 F1098	F683-L995 HydrophobicContact CE1-CD1 4.03Å; F683-L995 HydrophobicContact CZ-CD1 3.91Å; Q713-L995 PolarHBondContact NE2-O 3.34Å; A988-L995 HydrophobicContact CB-CD1 3.43Å; A988-L995 VanDerWaalsContact CB-CD1 3.43Å; P990-L995 PolarHBondContact O-N 3.01Å; D993-L995 HydrophobicContact CB-CD2 4.29Å; D993-L995 HydrophobicContact CB-CG 3.97Å; D993-L995 PolarHBondContact O-N 3.01Å; L995-Y1095 HydrophobicContact CB-CE1 4.33Å; L995-Y1095 HydrophobicContact CD1-CE1 4.45Å; L995-Y1095 HydrophobicContact CD2-CD1 3.89Å; L995-Y1095 HydrophobicContact CD2-CE1 3.71Å; L995-Y1095 HydrophobicContact CG-CE1 4.39Å; L995-F1098 HydrophobicContact CD2-CD2 4.32Å; L995-F1098 HydrophobicContact CD2-CE2 4.05Å
996	R	83.8	Confident	85.5	Confident	169 Å²	169	59.8 Å²	59.8	64%	0.638	30%	0.303	S	S	*	.	P	Polyproline II helix	trans	-90.1	169.8	170.5	-64	-168.8	-173.5	169.8	-2.4	109	L998 Y1095	R996-L998 PolarHBondContact O-N 2.85Å; R996-Y1095 PolarHBondContact N-OH 2.96Å; R996-Y1095 PolarHBondContact O-OH 3.12Å
997	P	85.9	Confident	86.4	Confident	53 Å²	53	61.6 Å²	61.6	34%	0.344	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-59.9	129.2	165.3	-21.6	31.9	0	0	0	109.9	V709	V709-P997 HydrophobicContact CB-CB 4.14Å; V709-P997 HydrophobicContact CG2-CB 3.81Å; V709-P997 HydrophobicContact CG2-CG 3.75Å
998	L	91.1	Very high	87.3	Confident	9 Å²	9	59.6 Å²	59.6	5%	0.047	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	108.3	171.8	-176.6	77.5	0	0	0	107.8	V618 S707 I708 R996 C1042 V1091 Y1095 F1099	V618-L998 HydrophobicContact CG1-CD2 3.43Å; V618-L998 VanDerWaalsContact CG1-CD2 3.43Å; S707-L998 CarbonylContact C-O 3.48Å; S707-L998 WeakPolarHBondContact CA-O 3.43Å; S707-L998 VanDerWaalsContact CB-O 3.22Å; S707-L998 WeakPolarHBondContact CB-O 3.47Å; I708-L998 HydrophobicContact CB-CB 4.45Å; I708-L998 PolarHBondContact N-O 3.45Å; I708-L998 PolarHBondContact O-N 2.6Å; R996-L998 PolarHBondContact O-N 2.85Å; L998-C1042 WeakPolarHBondContact CD1-SG 3.3Å; L998-V1091 HydrophobicContact CD1-CG1 4.01Å; L998-Y1095 HydrophobicContact CB-CE1 4.34Å; L998-Y1095 HydrophobicContact CD1-CD2 3.82Å; L998-Y1095 HydrophobicContact CD1-CE2 3.59Å; L998-Y1095 HydrophobicContact CD1-CG 4.42Å; L998-F1099 HydrophobicContact CD2-CE2 4.16Å; L998-F1099 HydrophobicContact CD2-CZ 3.95Å
999	K	94.5	Very high	88.2	Confident	82 Å²	82	59.7 Å²	59.7	36%	0.357	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	126	175.2	-60.2	-171.8	-176.9	-164.8	0	109.2	P704 I1041 C1042	P704-K999 HydrophobicContact CB-CD 4.13Å; P704-K999 VanDerWaalsContact CB-CE 3.48Å; P704-K999 HydrophobicContact CB-CG 4.37Å; K999-I1041 HydrophobicContact CB-CD1 3.88Å; K999-I1041 HydrophobicContact CB-CG2 4.18Å; K999-I1041 VanDerWaalsContact O-CB 3.31Å; K999-I1041 WeakPolarHBondContact O-CB 3.41Å; K999-I1041 WeakPolarHBondContact O-CG2 3.49Å; K999-C1042 PolarHBondContact O-SG 2.9Å
1000	L	94.8	Very high	89	Confident	4 Å²	4	57.9 Å²	57.9	2%	0.021	29%	0.29	C	S	.	.			trans	-78.7	-56.2	-170.4	-169.3	63.6	0	0	0	112.6	F614 F617 V618 L621 F706 V1013 I1041 C1042 F1043	F614-L1000 HydrophobicContact CD2-CD2 4.27Å; F614-L1000 HydrophobicContact CE2-CB 4.45Å; F614-L1000 HydrophobicContact CE2-CD2 3.57Å; F614-L1000 HydrophobicContact CZ-CB 4.44Å; F614-L1000 HydrophobicContact CZ-CD2 4.14Å; F617-L1000 HydrophobicContact CD1-CD1 4.17Å; F617-L1000 HydrophobicContact CD1-CD2 3.73Å; F617-L1000 HydrophobicContact CD1-CG 4.5Å; F617-L1000 HydrophobicContact CE1-CD1 3.77Å; F617-L1000 HydrophobicContact CE1-CD2 3.79Å; F617-L1000 HydrophobicContact CE1-CG 4.17Å; V618-L1000 HydrophobicContact CG2-CD1 4.35Å; L621-L1000 HydrophobicContact CD2-CD1 3.81Å; F706-L1000 HydrophobicContact CB-CB 4.03Å; F706-L1000 WeakPolarHBondContact O-CB 3.29Å; F706-L1000 PolarHBondContact O-N 2.96Å; L1000-V1013 HydrophobicContact CD2-CG1 3.75Å; L1000-I1041 PolarHBondContact O-N 3.4Å; L1000-C1042 PolarHBondContact O-N 2.7Å; L1000-F1043 HydrophobicContact CD1-CD1 4.14Å; L1000-F1043 HydrophobicContact CD1-CE1 3.85Å; L1000-F1043 HydrophobicContact CG-CE1 3.96Å
1001	L	95.3	Very high	90.1	Very high	2 Å²	2	57.9 Å²	57.9	1%	0.01	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	166.5	-177.5	62.3	87.2	0	0	0	109.4	F706 V1003 L1024 I1038 T1039 F1043	F706-L1001 HydrophobicContact CD2-CD1 3.47Å; F706-L1001 VanDerWaalsContact CD2-CD1 3.47Å; F706-L1001 HydrophobicContact CD2-CG 4.02Å; F706-L1001 HydrophobicContact CE2-CD1 3.64Å; F706-L1001 HydrophobicContact CG-CD1 4.39Å; L1001-V1003 HydrophobicContact CD1-CG2 3.96Å; L1001-L1024 HydrophobicContact CD2-CD1 4.39Å; L1001-L1024 HydrophobicContact CD2-CD2 4.07Å; L1001-I1038 HydrophobicContact CD1-CG2 4.38Å; L1001-T1039 CarbonylContact C-O 3.59Å; L1001-T1039 VanDerWaalsContact CA-O 3.27Å; L1001-T1039 WeakPolarHBondContact CA-O 3.38Å; L1001-T1039 WeakPolarHBondContact CB-O 3.16Å; L1001-F1043 HydrophobicContact CD2-CZ 4.36Å
1002	S	95.7	Very high	91.2	Very high	47 Å²	47	50.3 Å²	50.3	33%	0.329	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	146.1	170.9	64	0	0	0	0	111.5	I1038 T1039	S1002-I1038 WeakPolarHBondContact O-CA 3.32Å; S1002-T1039 PolarHBondContact N-O 2.78Å; S1002-T1039 PolarHBondContact O-N 3Å
1003	V	95.7	Very high	92	Very high	22 Å²	22	42.5 Å²	42.5	13%	0.133	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	126.1	170.3	-175.7	0	0	0	0	107.8	L1001 V1008 V1010 A1036 I1038	L1001-V1003 HydrophobicContact CD1-CG2 3.96Å; V1003-V1008 HydrophobicContact CG1-CB 4.41Å; V1003-V1010 HydrophobicContact CG2-CG2 3.69Å; V1003-A1036 HydrophobicContact CG1-CB 4.18Å; V1003-I1038 HydrophobicContact CG2-CG1 4.31Å
1004	N	95.3	Very high	92.8	Very high	104 Å²	104	39.6 Å²	39.6	56%	0.556	21%	0.207	S	C	*	.	S	Bend	trans	-84.9	-10.4	-171.3	73.7	-24.5	0	0	0	114.8	A1036 V1037	N1004-A1036 WeakPolarHBondContact OD1-CA 3.18Å; N1004-V1037 PolarHBondContact N-O 3.28Å; N1004-V1037 PolarHBondContact OD1-N 2.98Å
1005	N	95.2	Very high	93.7	Very high	32 Å²	32	34.2 Å²	34.2	17%	0.171	18%	0.178	C	C	.	.			trans	-114.9	114.6	-179	-171.9	-23.6	0	0	0	110.1	L1007 V1008 S1035 A1036	N1005-L1007 PolarHBondContact O-N 2.76Å; N1005-L1007 WeakPolarHBondContact OD1-CB 3.31Å; N1005-L1007 PolarHBondContact OD1-N 2.83Å; N1005-V1008 HydrophobicContact CB-CG2 4.42Å; N1005-V1008 PolarHBondContact O-N 2.96Å; N1005-V1008 VanDerWaalsContact O-N 3.16Å; N1005-S1035 WeakPolarHBondContact CB-O 3.4Å; N1005-S1035 PolarHBondContact ND2-O 3.31Å; N1005-A1036 HydrophobicContact CB-CB 4.07Å
1006	P	92.5	Very high	94.4	Very high	82 Å²	82	34.3 Å²	34.3	53%	0.532	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-17	-176.3	28.9	-35.8	0	0	0	114.1	V1008	P1006-V1008 VanDerWaalsContact C-N 3.28Å
1007	L	94.6	Very high	94.9	Very high	42 Å²	42	28.1 Å²	28.1	22%	0.22	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-20.1	174.8	-64.4	178.5	0	0	0	112.6	Q960 N1005 V1009 S1029	Q960-L1007 HydrophobicContact CB-CD2 3.95Å; N1005-L1007 PolarHBondContact O-N 2.76Å; N1005-L1007 WeakPolarHBondContact OD1-CB 3.31Å; N1005-L1007 PolarHBondContact OD1-N 2.83Å; L1007-V1009 PolarHBondContact O-N 2.94Å; L1007-S1029 PolarHBondContact O-N 3.41Å; L1007-S1029 PolarHBondContact O-OG 3.01Å
1008	V	97.4	Very high	95.1	Very high	7 Å²	7	32 Å²	32	4%	0.042	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	98.5	176.1	-179.2	0	0	0	0	109	V1003 N1005 P1006 L1026 Y1027 A1034 A1036 L1073	V1003-V1008 HydrophobicContact CG1-CB 4.41Å; N1005-V1008 HydrophobicContact CB-CG2 4.42Å; N1005-V1008 PolarHBondContact O-N 2.96Å; N1005-V1008 VanDerWaalsContact O-N 3.16Å; P1006-V1008 VanDerWaalsContact C-N 3.28Å; V1008-L1026 HydrophobicContact CG1-CB 4.22Å; V1008-L1026 HydrophobicContact CG1-CD1 3.98Å; V1008-Y1027 WeakPolarHBondContact CA-O 3.34Å; V1008-A1034 HydrophobicContact CG2-CB 3.87Å; V1008-A1036 HydrophobicContact CB-CB 3.96Å; V1008-A1036 HydrophobicContact CG1-CB 4.11Å; V1008-A1036 HydrophobicContact CG2-CB 3.74Å; V1008-L1073 HydrophobicContact CG1-CD1 4.33Å; V1008-L1073 HydrophobicContact CG1-CD2 4.14Å; V1008-L1073 HydrophobicContact CG2-CD1 4.08Å; V1008-L1073 HydrophobicContact CG2-CD2 4.31Å
1009	V	97.2	Very high	95.1	Very high	5 Å²	5	33.5 Å²	33.5	3%	0.03	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	125	-178.4	177.5	0	0	0	0	109	Y975 L1007 E1011 L1026 Y1027	Y975-V1009 HydrophobicContact CE2-CG1 4.2Å; L1007-V1009 PolarHBondContact O-N 2.94Å; V1009-E1011 PolarHBondContact O-N 2.88Å; V1009-L1026 CarbonylContact O-C 3.5Å; V1009-L1026 WeakPolarHBondContact O-CA 3.3Å; V1009-L1026 WeakPolarHBondContact O-CB 3.48Å; V1009-Y1027 HydrophobicContact CB-CD1 3.98Å; V1009-Y1027 HydrophobicContact CB-CE1 3.47Å; V1009-Y1027 VanDerWaalsContact CB-CE1 3.47Å; V1009-Y1027 HydrophobicContact CB-CE2 4.48Å; V1009-Y1027 HydrophobicContact CG1-CD1 4.31Å; V1009-Y1027 HydrophobicContact CG1-CE1 3.51Å; V1009-Y1027 HydrophobicContact CG2-CE1 4.34Å; V1009-Y1027 PolarHBondContact N-O 2.9Å; V1009-Y1027 PolarHBondContact O-N 2.85Å
1010	V	97.4	Very high	94.9	Very high	6 Å²	6	33.1 Å²	33.1	4%	0.036	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	100.8	168.7	180	0	0	0	0	108.3	R610 F706 V1003 V1012 V1013 L1024 R1025 L1026	R610-V1010 PolarHBondContact NH2-O 2.83Å; F706-V1010 HydrophobicContact CE2-CB 4.33Å; F706-V1010 HydrophobicContact CE2-CG2 4.42Å; F706-V1010 HydrophobicContact CZ-CB 3.75Å; F706-V1010 HydrophobicContact CZ-CG1 4.09Å; F706-V1010 HydrophobicContact CZ-CG2 4.32Å; V1003-V1010 HydrophobicContact CG2-CG2 3.69Å; V1010-V1012 WeakPolarHBondContact CG1-O 3.43Å; V1010-V1013 HydrophobicContact CG1-CG2 3.82Å; V1010-L1024 HydrophobicContact CG1-CD2 4.41Å; V1010-R1025 CarbonylContact C-O 3.56Å; V1010-L1026 HydrophobicContact CG2-CB 4.26Å; V1010-L1026 HydrophobicContact CG2-CD2 4.42Å
1011	E	97.3	Very high	94.8	Very high	12 Å²	12	34.5 Å²	34.5	6%	0.056	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	-42.5	178.4	-174.2	67.2	-175.3	0	0	110.9	E413 R610 F874 Y975 V1009 R1025 Y1027	E413-E1011 HydrophobicContact CB-CG 4.04Å; R610-E1011 WeakPolarHBondContact CD-O 3.49Å; R610-E1011 PolarHBondContact NE-O 3.33Å; F874-E1011 HydrophobicContact CE1-CB 4.15Å; F874-E1011 HydrophobicContact CE1-CG 3.91Å; Y975-E1011 WeakPolarHBondContact CE1-OE2 3.16Å; Y975-E1011 PolarHBondContact OH-OE2 2.6Å; V1009-E1011 PolarHBondContact O-N 2.88Å; E1011-R1025 PolarHBondContact N-O 3.28Å; E1011-Y1027 HydrophobicContact CB-CD1 4.37Å; E1011-Y1027 HydrophobicContact CB-CE1 4.39Å
1012	V	96.8	Very high	94.8	Very high	4 Å²	4	34.4 Å²	34.4	2%	0.024	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	136.7	-171.2	-177.3	0	0	0	0	112	E413 V1010 K1014 L1024 R1025	E413-V1012 HydrophobicContact CG-CG2 3.73Å; E413-V1012 WeakPolarHBondContact OE1-CG2 3.44Å; E413-V1012 WeakPolarHBondContact OE2-CG2 3.43Å; V1010-V1012 WeakPolarHBondContact CG1-O 3.43Å; V1012-K1014 HydrophobicContact CG1-CB 3.87Å; V1012-K1014 HydrophobicContact CG1-CD 3.69Å; V1012-K1014 HydrophobicContact CG1-CG 3.63Å; V1012-L1024 WeakPolarHBondContact O-CA 3.38Å; V1012-R1025 HydrophobicContact CB-CB 3.79Å; V1012-R1025 HydrophobicContact CG2-CB 3.97Å; V1012-R1025 PolarHBondContact N-O 2.89Å; V1012-R1025 VanDerWaalsContact N-O 3.14Å; V1012-R1025 PolarHBondContact O-N 3.43Å; V1012-R1025 VanDerWaalsContact O-N 3.11Å
1013	V	96.7	Very high	94.9	Very high	7 Å²	7	32.2 Å²	32.2	4%	0.042	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	105.7	162.5	-177.5	0	0	0	0	106.7	E613 F614 F617 F706 L1000 V1010 L1022 L1024	E613-V1013 CarbonylContact C-O 3.59Å; F614-V1013 HydrophobicContact CD2-CB 4.04Å; F614-V1013 HydrophobicContact CD2-CG1 4.24Å; F614-V1013 HydrophobicContact CD2-CG2 4.33Å; F614-V1013 PolarHBondContact N-O 3.19Å; F617-V1013 HydrophobicContact CD1-CG1 3.72Å; F617-V1013 HydrophobicContact CE1-CG1 4.26Å; F617-V1013 HydrophobicContact CG-CG1 4.23Å; F706-V1013 HydrophobicContact CD1-CG2 4.44Å; F706-V1013 HydrophobicContact CE1-CG2 4.13Å; L1000-V1013 HydrophobicContact CD2-CG1 3.75Å; V1010-V1013 HydrophobicContact CG1-CG2 3.82Å; V1013-L1022 HydrophobicContact CG1-CD1 3.97Å; V1013-L1024 HydrophobicContact CB-CD2 4.22Å; V1013-L1024 HydrophobicContact CG1-CD2 4.08Å; V1013-L1024 HydrophobicContact CG2-CD2 3.78Å
1014	K	96.1	Very high	95	Very high	4 Å²	4	31.1 Å²	31.1	2%	0.017	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	169.3	-177.6	72.7	-178.5	-70.5	-80.9	0	112.3	E613 V1012 E1017 V1023 E1055	E613-K1014 HydrophobicContact CB-CB 4Å; E613-K1014 HydrophobicContact CG-CB 4.4Å; V1012-K1014 HydrophobicContact CG1-CB 3.87Å; V1012-K1014 HydrophobicContact CG1-CD 3.69Å; V1012-K1014 HydrophobicContact CG1-CG 3.63Å; K1014-E1017 WeakPolarHBondContact CE-OE1 3.4Å; K1014-E1017 IonicContact NZ-OE1 3.76Å; K1014-E1017 PolarHBondContact NZ-OE1 3Å; K1014-V1023 HydrophobicContact CG-CB 3.83Å; K1014-V1023 HydrophobicContact CG-CG1 4.38Å; K1014-V1023 PolarHBondContact N-O 2.9Å; K1014-V1023 PolarHBondContact O-N 2.92Å; K1014-E1055 IonicContact NZ-OE1 3.77Å; K1014-E1055 PolarHBondContact NZ-OE1 3.3Å; K1014-E1055 IonicContact NZ-OE2 3.09Å
1015	I	94.8	Very high	95.1	Very high	21 Å²	21	26.2 Å²	26.2	11%	0.108	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	143.7	165	-52.9	165.9	0	0	0	108	F617 W620 C629 Q1021	F617-I1015 HydrophobicContact CB-CG1 4.25Å; F617-I1015 HydrophobicContact CD2-CG1 3.99Å; W620-I1015 HydrophobicContact CB-CD1 3.56Å; W620-I1015 HydrophobicContact CB-CG1 4.43Å; W620-I1015 HydrophobicContact CD2-CD1 4.25Å; W620-I1015 HydrophobicContact CD2-CG1 4.45Å; W620-I1015 HydrophobicContact CG-CD1 3.73Å; W620-I1015 HydrophobicContact CG-CG1 4.42Å; C629-I1015 HydrophobicContact CB-CD1 3.34Å; C629-I1015 WeakPolarHBondContact SG-CD1 3.47Å; I1015-Q1021 CarbonylContact C-O 3.57Å; I1015-Q1021 WeakPolarHBondContact CA-O 3.46Å
1016	S	94.9	Very high	95.2	Very high	6 Å²	6	24.7 Å²	24.7	4%	0.042	14%	0.138	C	C	.	.			trans	-53	153.3	171.1	62.7	0	0	0	0	111.1	K1018 G1019 D1020 Q1021 E1055	S1016-K1018 PolarHBondContact O-N 2.84Å; S1016-G1019 WeakPolarHBondContact O-CA 3.36Å; S1016-G1019 PolarHBondContact O-N 2.82Å; S1016-G1019 PolarHBondContact OG-N 2.88Å; S1016-D1020 PolarHBondContact OG-N 3.4Å; S1016-D1020 PolarHBondContact OG-OD1 2.91Å; S1016-Q1021 PolarHBondContact N-O 2.62Å; S1016-Q1021 PolarHBondContact OG-N 2.9Å; S1016-Q1021 VanDerWaalsContact OG-N 3.17Å; S1016-E1055 VanDerWaalsContact CA-OE2 3.25Å; S1016-E1055 WeakPolarHBondContact CA-OE2 3.37Å
1017	E	93.6	Very high	95.5	Very high	40 Å²	40	21 Å²	21	19%	0.187	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-23.6	173.5	-66.2	-55.5	138.3	0	0	112	L420 Y421 N631 K1014 G1019 E1055	L420-E1017 HydrophobicContact CD1-CG 4.49Å; L420-E1017 HydrophobicContact CD2-CG 4.03Å; L420-E1017 HydrophobicContact CG-CG 4.47Å; Y421-E1017 HydrophobicContact CE1-CG 4.48Å; Y421-E1017 PolarHBondContact OH-OE1 3.15Å; Y421-E1017 VanDerWaalsContact OH-OE1 3.14Å; N631-E1017 PolarHBondContact ND2-OE2 3.21Å; K1014-E1017 WeakPolarHBondContact CE-OE1 3.4Å; K1014-E1017 IonicContact NZ-OE1 3.76Å; K1014-E1017 PolarHBondContact NZ-OE1 3Å; E1017-G1019 VanDerWaalsContact C-N 3.31Å; E1017-E1055 PolarHBondContact N-OE2 2.88Å
1018	K	90.1	Very high	95.6	Very high	134 Å²	134	19 Å²	19	58%	0.583	10%	0.103	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-17.8	171.1	-68.3	172.8	-174.2	157.9	0	112.9	S1016 D1020 E1056	S1016-K1018 PolarHBondContact O-N 2.84Å; K1018-D1020 WeakPolarHBondContact CB-OD1 3.31Å; K1018-E1056 IonicContact NZ-OE1 3.38Å; K1018-E1056 PolarHBondContact NZ-OE1 3.31Å
1019	G	91.2	Very high	95.6	Very high	40 Å²	40	18.9 Å²	18.9	41%	0.412	10%	0.102	S	C	.	.	S	Bend	trans	88	15.2	171.7	0	0	0	0	0	115.6	S1016 E1017	S1016-G1019 WeakPolarHBondContact O-CA 3.36Å; S1016-G1019 PolarHBondContact O-N 2.82Å; S1016-G1019 PolarHBondContact OG-N 2.88Å; E1017-G1019 VanDerWaalsContact C-N 3.31Å
1020	D	90.6	Very high	95.6	Very high	75 Å²	75	19.1 Å²	19.1	40%	0.401	11%	0.106	S	C	.	.	S	Bend	trans	-127.2	-20.4	-164.5	56.8	-8.8	0	0	0	115	W620 S1016 K1018	W620-D1020 WeakPolarHBondContact CH2-O 3.14Å; W620-D1020 WeakPolarHBondContact CZ2-O 3.49Å; S1016-D1020 PolarHBondContact OG-N 3.4Å; S1016-D1020 PolarHBondContact OG-OD1 2.91Å; K1018-D1020 WeakPolarHBondContact CB-OD1 3.31Å
1021	Q	93.4	Very high	95.5	Very high	33 Å²	33	20.4 Å²	20.4	15%	0.154	12%	0.12	C	C	.	.	S	Bend	trans	-126.3	155.6	-172.4	-60.4	-173.3	-60.8	0	0	112.1	I1015 S1016 I1082 D1084	I1015-Q1021 CarbonylContact C-O 3.57Å; I1015-Q1021 WeakPolarHBondContact CA-O 3.46Å; S1016-Q1021 PolarHBondContact N-O 2.62Å; S1016-Q1021 PolarHBondContact OG-N 2.9Å; S1016-Q1021 VanDerWaalsContact OG-N 3.17Å; Q1021-I1082 HydrophobicContact CB-CG2 4.04Å; Q1021-I1082 HydrophobicContact CG-CG2 4.5Å; Q1021-D1084 WeakPolarHBondContact CG-OD1 3.28Å; Q1021-D1084 PolarHBondContact NE2-OD1 3.29Å
1022	L	95	Very high	95.4	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	129.1	167.3	167.2	60.5	0	0	0	108.6	F617 V1013 L1024 F1043 F1045 I1082 C1083 V1085	F617-L1022 HydrophobicContact CD1-CD1 4.27Å; F617-L1022 HydrophobicContact CD2-CD1 3.97Å; F617-L1022 HydrophobicContact CE1-CD1 3.93Å; F617-L1022 HydrophobicContact CE1-CD2 4.38Å; F617-L1022 HydrophobicContact CE2-CB 3.74Å; F617-L1022 HydrophobicContact CE2-CD1 3.65Å; F617-L1022 HydrophobicContact CE2-CD2 4.42Å; F617-L1022 HydrophobicContact CE2-CG 4.11Å; F617-L1022 HydrophobicContact CG-CD1 4.28Å; F617-L1022 HydrophobicContact CZ-CB 4.01Å; F617-L1022 HydrophobicContact CZ-CD1 3.64Å; F617-L1022 HydrophobicContact CZ-CD2 3.85Å; F617-L1022 HydrophobicContact CZ-CG 4.03Å; V1013-L1022 HydrophobicContact CG1-CD1 3.97Å; L1022-L1024 HydrophobicContact CD1-CD2 3.82Å; L1022-L1024 HydrophobicContact CD1-CG 4.11Å; L1022-L1024 HydrophobicContact CD2-CD1 4.19Å; L1022-L1024 HydrophobicContact CD2-CD2 4.21Å; L1022-L1024 HydrophobicContact CD2-CG 4.02Å; L1022-L1024 HydrophobicContact CG-CD2 4.23Å; L1022-L1024 HydrophobicContact CG-CG 4.01Å; L1022-F1043 HydrophobicContact CD2-CE2 4.1Å; L1022-F1043 HydrophobicContact CD2-CZ 3.9Å; L1022-F1045 HydrophobicContact CD2-CE1 4.24Å; L1022-I1082 WeakPolarHBondContact O-CA 3.21Å; L1022-C1083 HydrophobicContact CB-CB 4.27Å; L1022-C1083 PolarHBondContact N-O 2.83Å; L1022-C1083 PolarHBondContact O-N 3.14Å; L1022-V1085 HydrophobicContact CB-CG1 4.05Å; L1022-V1085 HydrophobicContact CB-CG2 4.39Å; L1022-V1085 HydrophobicContact CD2-CG1 3.87Å
1023	V	96.9	Very high	95.5	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	121.2	167.2	-179.8	0	0	0	0	108.6	K1014 E1055 T1080 I1081	K1014-V1023 HydrophobicContact CG-CB 3.83Å; K1014-V1023 HydrophobicContact CG-CG1 4.38Å; K1014-V1023 PolarHBondContact N-O 2.9Å; K1014-V1023 PolarHBondContact O-N 2.92Å; V1023-E1055 HydrophobicContact CG2-CG 4.21Å; V1023-T1080 HydrophobicContact CG1-CG2 4Å; V1023-I1081 CarbonylContact C-O 3.5Å; V1023-I1081 VanDerWaalsContact CA-O 3.31Å; V1023-I1081 WeakPolarHBondContact CA-O 3.38Å
1024	L	97.3	Very high	95.4	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	132.7	167.9	-60.4	173.2	0	0	0	108.5	L1001 V1010 V1012 V1013 L1022 I1038 I1081	L1001-L1024 HydrophobicContact CD2-CD1 4.39Å; L1001-L1024 HydrophobicContact CD2-CD2 4.07Å; V1010-L1024 HydrophobicContact CG1-CD2 4.41Å; V1012-L1024 WeakPolarHBondContact O-CA 3.38Å; V1013-L1024 HydrophobicContact CB-CD2 4.22Å; V1013-L1024 HydrophobicContact CG1-CD2 4.08Å; V1013-L1024 HydrophobicContact CG2-CD2 3.78Å; L1022-L1024 HydrophobicContact CD1-CD2 3.82Å; L1022-L1024 HydrophobicContact CD1-CG 4.11Å; L1022-L1024 HydrophobicContact CD2-CD1 4.19Å; L1022-L1024 HydrophobicContact CD2-CD2 4.21Å; L1022-L1024 HydrophobicContact CD2-CG 4.02Å; L1022-L1024 HydrophobicContact CG-CD2 4.23Å; L1022-L1024 HydrophobicContact CG-CG 4.01Å; L1024-I1038 HydrophobicContact CD1-CD1 4.42Å; L1024-I1081 HydrophobicContact CB-CB 4.08Å; L1024-I1081 HydrophobicContact CB-CG2 4.35Å; L1024-I1081 HydrophobicContact CD1-CG2 4.5Å; L1024-I1081 PolarHBondContact N-O 3.05Å; L1024-I1081 PolarHBondContact O-N 3.13Å
1025	R	97.7	Very high	95.5	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	128.3	169.2	-164.6	-177	-55.3	-68.2	-9.8	109.1	E413 V1010 E1011 V1012 A1053 I1078 M1079 T1080	E413-R1025 IonicContact OE1-NE 3.88Å; E413-R1025 WeakPolarHBondContact OE2-CD 3.39Å; E413-R1025 IonicContact OE2-CZ 3.15Å; E413-R1025 IonicContact OE2-NE 2.65Å; E413-R1025 PolarHBondContact OE2-NE 3.49Å; V1010-R1025 CarbonylContact C-O 3.56Å; E1011-R1025 PolarHBondContact N-O 3.28Å; V1012-R1025 HydrophobicContact CB-CB 3.79Å; V1012-R1025 HydrophobicContact CG2-CB 3.97Å; V1012-R1025 PolarHBondContact N-O 2.89Å; V1012-R1025 VanDerWaalsContact N-O 3.14Å; V1012-R1025 PolarHBondContact O-N 3.43Å; V1012-R1025 VanDerWaalsContact O-N 3.11Å; R1025-A1053 VanDerWaalsContact NH1-CA 3.29Å; R1025-A1053 PolarHBondContact NH2-O 3.47Å; R1025-I1078 HydrophobicContact CG-CG2 4.37Å; R1025-M1079 WeakPolarHBondContact CA-O 3.26Å; R1025-T1080 PolarHBondContact NH1-OG1 3.46Å
1026	L	97.4	Very high	95.5	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	154.5	-175.8	48.2	95.9	0	0	0	111	V1008 V1009 V1010 I1038 L1071 L1073 M1079 I1081	V1008-L1026 HydrophobicContact CG1-CB 4.22Å; V1008-L1026 HydrophobicContact CG1-CD1 3.98Å; V1009-L1026 CarbonylContact O-C 3.5Å; V1009-L1026 WeakPolarHBondContact O-CA 3.3Å; V1009-L1026 WeakPolarHBondContact O-CB 3.48Å; V1010-L1026 HydrophobicContact CG2-CB 4.26Å; V1010-L1026 HydrophobicContact CG2-CD2 4.42Å; L1026-I1038 HydrophobicContact CD2-CD1 3.59Å; L1026-L1071 HydrophobicContact CD1-CD1 4.07Å; L1026-L1071 HydrophobicContact CD2-CD1 4.04Å; L1026-L1073 HydrophobicContact CD1-CD1 4.37Å; L1026-L1073 HydrophobicContact CD1-CD2 3.8Å; L1026-M1079 HydrophobicContact CD1-CB 3.7Å; L1026-M1079 HydrophobicContact CD1-CG 4.35Å; L1026-M1079 HydrophobicContact CD1-SD 4.21Å; L1026-M1079 HydrophobicContact CG-CB 4.37Å; L1026-M1079 PolarHBondContact N-O 3.1Å; L1026-M1079 PolarHBondContact O-N 3.08Å; L1026-I1081 HydrophobicContact CD2-CD1 3.5Å; L1026-I1081 VanDerWaalsContact CD2-CD1 3.5Å; L1026-I1081 HydrophobicContact CG-CD1 4.17Å
1027	Y	98.4	Very high	95.6	Very high	5 Å²	5	31.5 Å²	31.5	2%	0.02	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	150.2	178	72.8	-79	0	0	0	111.8	F874 Y975 V1008 V1009 E1011 S1029 E1077	F874-Y1027 HydrophobicContact CB-CD2 3.93Å; F874-Y1027 HydrophobicContact CB-CE2 4.47Å; F874-Y1027 HydrophobicContact CB-CG 4.08Å; F874-Y1027 AromaticContact CD1-CD1 3.47Å; F874-Y1027 HydrophobicContact CD1-CD1 3.47Å; F874-Y1027 VanDerWaalsContact CD1-CD1 3.47Å; F874-Y1027 HydrophobicContact CD1-CD2 4.14Å; F874-Y1027 AromaticContact CD1-CE1 3.84Å; F874-Y1027 HydrophobicContact CD1-CE1 3.84Å; F874-Y1027 HydrophobicContact CD1-CE2 4.49Å; F874-Y1027 AromaticContact CD1-CG 3.62Å; F874-Y1027 HydrophobicContact CD1-CG 3.62Å; F874-Y1027 HydrophobicContact CE1-CD1 4.01Å; F874-Y1027 HydrophobicContact CE1-CE1 4.36Å; F874-Y1027 HydrophobicContact CG-CG 4.28Å; Y975-Y1027 WeakPolarHBondContact CE2-OH 3.32Å; Y975-Y1027 PolarHBondContact OH-OH 2.86Å; V1008-Y1027 WeakPolarHBondContact CA-O 3.34Å; V1009-Y1027 HydrophobicContact CB-CD1 3.98Å; V1009-Y1027 HydrophobicContact CB-CE1 3.47Å; V1009-Y1027 VanDerWaalsContact CB-CE1 3.47Å; V1009-Y1027 HydrophobicContact CB-CE2 4.48Å; V1009-Y1027 HydrophobicContact CG1-CD1 4.31Å; V1009-Y1027 HydrophobicContact CG1-CE1 3.51Å; V1009-Y1027 HydrophobicContact CG2-CE1 4.34Å; V1009-Y1027 PolarHBondContact N-O 2.9Å; V1009-Y1027 PolarHBondContact O-N 2.85Å; E1011-Y1027 HydrophobicContact CB-CD1 4.37Å; E1011-Y1027 HydrophobicContact CB-CE1 4.39Å; Y1027-S1029 VanDerWaalsContact CE2-CB 3.49Å; Y1027-E1077 CarbonylContact C-O 3.58Å; Y1027-E1077 WeakPolarHBondContact CA-O 3.45Å
1028	E	98.3	Very high	95.6	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.005	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	122.3	169	-160.1	-70.7	125.4	0	0	109	G1030 G1031 G1032 A1034 L1073 N1074 F1076 E1077	E1028-G1030 VanDerWaalsContact OE1-CA 3.26Å; E1028-G1030 WeakPolarHBondContact OE1-CA 3.34Å; E1028-G1030 PolarHBondContact OE1-N 2.94Å; E1028-G1030 PolarHBondContact OE2-N 2.88Å; E1028-G1031 WeakPolarHBondContact OE2-CA 3.4Å; E1028-G1031 PolarHBondContact OE2-N 3.05Å; E1028-G1032 VanDerWaalsContact CG-O 3.25Å; E1028-G1032 WeakPolarHBondContact CG-O 3.49Å; E1028-G1032 PolarHBondContact OE2-N 2.91Å; E1028-A1034 HydrophobicContact CG-CB 3.67Å; E1028-L1073 HydrophobicContact CB-CB 4.08Å; E1028-L1073 HydrophobicContact CB-CD2 4.07Å; E1028-L1073 HydrophobicContact CG-CB 4.43Å; E1028-N1074 WeakPolarHBondContact CB-O 3.17Å; E1028-F1076 VanDerWaalsContact O-CA 3.28Å; E1028-F1076 WeakPolarHBondContact O-CA 3.43Å; E1028-F1076 PolarHBondContact OE2-N 2.83Å; E1028-E1077 PolarHBondContact N-O 2.9Å
1029	S	97.4	Very high	95.9	Very high	4 Å²	4	25.8 Å²	25.8	3%	0.028	17%	0.168	C	C	.	.			trans	-100.7	-15.1	-169.1	62.1	0	0	0	0	114.2	H876 L1007 Y1027	H876-S1029 PolarHBondContact CE1-O 3Å; H876-S1029 PolarHBondContact ND1-O 3.21Å; L1007-S1029 PolarHBondContact O-N 3.41Å; L1007-S1029 PolarHBondContact O-OG 3.01Å; Y1027-S1029 VanDerWaalsContact CE2-CB 3.49Å
1030	G	95.8	Very high	96.1	Very high	10 Å²	10	24.9 Å²	24.9	10%	0.103	15%	0.154	C	C	.	.	S	Bend	trans	-93.7	-15.3	-169.8	0	0	0	0	0	116	H876 Q960 E1028	H876-G1030 PolarHBondContact CE1-O 3.25Å; Q960-G1030 PolarHBondContact NE2-O 2.84Å; E1028-G1030 VanDerWaalsContact OE1-CA 3.26Å; E1028-G1030 WeakPolarHBondContact OE1-CA 3.34Å; E1028-G1030 PolarHBondContact OE1-N 2.94Å; E1028-G1030 PolarHBondContact OE2-N 2.88Å
1031	G	96.7	Very high	96.2	Very high	32 Å²	32	24.7 Å²	24.7	33%	0.33	15%	0.152	S	C	.	.	S	Bend	trans	81.3	30.1	-175.6	0	0	0	0	0	113.3	E1028 F1076	E1028-G1031 WeakPolarHBondContact OE2-CA 3.4Å; E1028-G1031 PolarHBondContact OE2-N 3.05Å; G1031-F1076 VanDerWaalsContact CA-CE2 3.48Å; G1031-F1076 VanDerWaalsContact CA-CZ 3.42Å
1032	G	95.3	Very high	96.1	Very high	27 Å²	27	23.4 Å²	23.4	28%	0.278	15%	0.147	S	C	.	.	S	Bend	trans	-138.9	168.1	-177.2	0	0	0	0	0	112.9	E1028 A1034 P1075	E1028-G1032 VanDerWaalsContact CG-O 3.25Å; E1028-G1032 WeakPolarHBondContact CG-O 3.49Å; E1028-G1032 PolarHBondContact OE2-N 2.91Å; G1032-A1034 PolarHBondContact O-N 3.11Å; G1032-P1075 WeakPolarHBondContact O-CA 3.22Å
1033	H	97.2	Very high	96.1	Very high	146 Å²	146	23.6 Å²	23.6	68%	0.676	15%	0.148	S	C	*	.			trans	-69.6	131.9	170.2	-68.5	-78.3	0	0	0	110	L1073 N1074	H1033-L1073 WeakPolarHBondContact CA-O 3.31Å; H1033-N1074 PolarHBondContact CE1-OD1 2.8Å; H1033-N1074 VanDerWaalsContact CE1-OD1 3.23Å; H1033-N1074 PolarHBondContact ND1-OD1 3.14Å
1034	A	96.1	Very high	95.9	Very high	5 Å²	5	28.3 Å²	28.3	4%	0.041	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	130.3	-178.7	0	0	0	0	0	111.1	V1008 E1028 G1032 L1073	V1008-A1034 HydrophobicContact CG2-CB 3.87Å; E1028-A1034 HydrophobicContact CG-CB 3.67Å; G1032-A1034 PolarHBondContact O-N 3.11Å; A1034-L1073 PolarHBondContact N-O 3.29Å; A1034-L1073 PolarHBondContact O-N 2.91Å
1035	S	96.7	Very high	95.7	Very high	76 Å²	76	29 Å²	29	53%	0.531	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	133.9	165.7	-57.2	0	0	0	0	109.4	N1005 L1071 D1072	N1005-S1035 WeakPolarHBondContact CB-O 3.4Å; N1005-S1035 PolarHBondContact ND2-O 3.31Å; S1035-L1071 CarbonylContact C-O 3.54Å; S1035-L1071 WeakPolarHBondContact CA-O 3.08Å; S1035-D1072 VanDerWaalsContact CB-OD1 3.3Å; S1035-D1072 WeakPolarHBondContact CB-OD1 3.19Å; S1035-D1072 PolarHBondContact OG-OD1 3.34Å
1036	A	95.7	Very high	95.3	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.008	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	146.8	176.9	0	0	0	0	0	111.6	V1003 N1004 N1005 V1008 R1070 L1071	V1003-A1036 HydrophobicContact CG1-CB 4.18Å; N1004-A1036 WeakPolarHBondContact OD1-CA 3.18Å; N1005-A1036 HydrophobicContact CB-CB 4.07Å; V1008-A1036 HydrophobicContact CB-CB 3.96Å; V1008-A1036 HydrophobicContact CG1-CB 4.11Å; V1008-A1036 HydrophobicContact CG2-CB 3.74Å; A1036-R1070 WeakPolarHBondContact O-CA 3.27Å; A1036-L1071 PolarHBondContact N-O 3.32Å; A1036-L1071 PolarHBondContact O-N 2.88Å
1037	V	96	Very high	94.9	Very high	32 Å²	32	35.4 Å²	35.4	19%	0.194	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	120.5	172.6	-174.4	0	0	0	0	108.1	N1004 I1069 R1070	N1004-V1037 PolarHBondContact N-O 3.28Å; N1004-V1037 PolarHBondContact OD1-N 2.98Å; V1037-I1069 CarbonylContact C-O 3.41Å; V1037-I1069 VanDerWaalsContact CA-O 3.3Å; V1037-I1069 WeakPolarHBondContact CA-O 3.24Å; V1037-R1070 HydrophobicContact CG2-CG 4.16Å
1038	I	95.4	Very high	94.5	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.005	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	113.6	172.8	-53.5	-178.4	0	0	0	107.8	L1001 S1002 V1003 L1024 L1026 F1045 S1068 I1069 L1071 I1081	L1001-I1038 HydrophobicContact CD1-CG2 4.38Å; S1002-I1038 WeakPolarHBondContact O-CA 3.32Å; V1003-I1038 HydrophobicContact CG2-CG1 4.31Å; L1024-I1038 HydrophobicContact CD1-CD1 4.42Å; L1026-I1038 HydrophobicContact CD2-CD1 3.59Å; I1038-F1045 HydrophobicContact CG2-CZ 4.26Å; I1038-S1068 WeakPolarHBondContact O-CA 3.18Å; I1038-I1069 HydrophobicContact CB-CB 4.49Å; I1038-I1069 PolarHBondContact N-O 3.19Å; I1038-I1069 PolarHBondContact O-N 2.71Å; I1038-L1071 HydrophobicContact CD1-CD1 3.56Å; I1038-L1071 HydrophobicContact CG1-CD1 4.16Å; I1038-I1081 HydrophobicContact CD1-CD1 4.11Å
1039	T	95.6	Very high	94.3	Very high	54 Å²	54	35.9 Å²	35.9	33%	0.331	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	118.5	177.8	-55.5	0	0	0	0	109.1	L1001 S1002	L1001-T1039 CarbonylContact C-O 3.59Å; L1001-T1039 VanDerWaalsContact CA-O 3.27Å; L1001-T1039 WeakPolarHBondContact CA-O 3.38Å; L1001-T1039 WeakPolarHBondContact CB-O 3.16Å; S1002-T1039 PolarHBondContact N-O 2.78Å; S1002-T1039 PolarHBondContact O-N 3Å
1040	P	94.6	Very high	94.2	Very high	21 Å²	21	38 Å²	38	14%	0.136	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	141.2	174.8	37.7	-35	0	0	0	109	F1043 F1045 G1067	P1040-F1043 HydrophobicContact CB-CD2 3.77Å; P1040-F1043 HydrophobicContact CB-CE1 4.42Å; P1040-F1043 HydrophobicContact CB-CE2 3.56Å; P1040-F1043 HydrophobicContact CB-CG 4.3Å; P1040-F1043 HydrophobicContact CB-CZ 3.92Å; P1040-F1043 VanDerWaalsContact CB-O 3.24Å; P1040-F1043 WeakPolarHBondContact CB-O 3.39Å; P1040-F1043 WeakPolarHBondContact CG-O 3.35Å; P1040-F1045 HydrophobicContact CB-CD2 4.02Å; P1040-F1045 HydrophobicContact CB-CE2 3.57Å; P1040-F1045 HydrophobicContact CB-CZ 4.17Å; P1040-F1045 HydrophobicContact CG-CD2 3.62Å; P1040-F1045 HydrophobicContact CG-CE2 3.55Å; P1040-G1067 WeakPolarHBondContact CD-O 3.27Å
1041	I	94.3	Very high	94.3	Very high	70 Å²	70	38.2 Å²	38.2	36%	0.359	22%	0.22	S	C	.	.	S	Bend	trans	-112.8	-40.1	-176.8	-61.1	169	0	0	0	111.1	K999 L1000 L1088	K999-I1041 HydrophobicContact CB-CD1 3.88Å; K999-I1041 HydrophobicContact CB-CG2 4.18Å; K999-I1041 VanDerWaalsContact O-CB 3.31Å; K999-I1041 WeakPolarHBondContact O-CB 3.41Å; K999-I1041 WeakPolarHBondContact O-CG2 3.49Å; L1000-I1041 PolarHBondContact O-N 3.4Å; I1041-L1088 VanDerWaalsContact O-CD1 3.28Å; I1041-L1088 WeakPolarHBondContact O-CD1 3.4Å
1042	C	91.1	Very high	94.3	Very high	7 Å²	7	40.9 Å²	40.9	5%	0.047	22%	0.221	C	C	.	.	S	Bend	trans	-101	-1	-178.1	-77.8	0	0	0	0	114.6	L621 L998 K999 L1000 L1088 V1091	L621-C1042 HydrophobicContact CD2-CB 4.3Å; L998-C1042 WeakPolarHBondContact CD1-SG 3.3Å; K999-C1042 PolarHBondContact O-SG 2.9Å; L1000-C1042 PolarHBondContact O-N 2.7Å; C1042-L1088 PolarHBondContact O-N 3.19Å; C1042-V1091 HydrophobicContact CB-CG1 4.34Å; C1042-V1091 HydrophobicContact CB-CG2 3.93Å
1043	F	93.5	Very high	94.4	Very high	3 Å²	3	39.6 Å²	39.6	1%	0.013	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	171.4	-175.3	59.9	-91.4	0	0	0	110.8	F617 L621 L1000 L1001 L1022 P1040 F1045 V1085 E1086	F617-F1043 HydrophobicContact CE1-CE1 4.31Å; L621-F1043 HydrophobicContact CD1-CB 3.87Å; L621-F1043 HydrophobicContact CD1-CG 4.36Å; L621-F1043 HydrophobicContact CD2-CB 4.09Å; L621-F1043 HydrophobicContact CD2-CD1 3.56Å; L621-F1043 HydrophobicContact CD2-CE1 4.4Å; L621-F1043 HydrophobicContact CD2-CG 4.18Å; L1000-F1043 HydrophobicContact CD1-CD1 4.14Å; L1000-F1043 HydrophobicContact CD1-CE1 3.85Å; L1000-F1043 HydrophobicContact CG-CE1 3.96Å; L1001-F1043 HydrophobicContact CD2-CZ 4.36Å; L1022-F1043 HydrophobicContact CD2-CE2 4.1Å; L1022-F1043 HydrophobicContact CD2-CZ 3.9Å; P1040-F1043 HydrophobicContact CB-CD2 3.77Å; P1040-F1043 HydrophobicContact CB-CE1 4.42Å; P1040-F1043 HydrophobicContact CB-CE2 3.56Å; P1040-F1043 HydrophobicContact CB-CG 4.3Å; P1040-F1043 HydrophobicContact CB-CZ 3.92Å; P1040-F1043 VanDerWaalsContact CB-O 3.24Å; P1040-F1043 WeakPolarHBondContact CB-O 3.39Å; P1040-F1043 WeakPolarHBondContact CG-O 3.35Å; F1043-F1045 HydrophobicContact CE2-CD1 4.05Å; F1043-F1045 AromaticContact CE2-CE1 3.58Å; F1043-F1045 HydrophobicContact CE2-CE1 3.58Å; F1043-F1045 HydrophobicContact CE2-CE2 4.18Å; F1043-F1045 AromaticContact CE2-CZ 3.65Å; F1043-F1045 HydrophobicContact CE2-CZ 3.65Å; F1043-F1045 HydrophobicContact CZ-CE1 4.31Å; F1043-F1045 HydrophobicContact CZ-CZ 4.15Å; F1043-V1085 HydrophobicContact CB-CB 4.44Å; F1043-V1085 HydrophobicContact CD2-CB 3.69Å; F1043-V1085 HydrophobicContact CD2-CG1 3.52Å; F1043-V1085 HydrophobicContact CE2-CB 4.24Å; F1043-V1085 HydrophobicContact CE2-CG1 3.57Å; F1043-V1085 HydrophobicContact CG-CB 4.26Å; F1043-V1085 HydrophobicContact CG-CG1 4.45Å; F1043-E1086 CarbonylContact C-O 3.45Å; F1043-E1086 WeakPolarHBondContact CA-O 3.4Å; F1043-E1086 VanDerWaalsContact CB-O 3.23Å; F1043-E1086 WeakPolarHBondContact CB-O 3.36Å
1044	E	93.5	Very high	94.3	Very high	99 Å²	99	32.6 Å²	32.6	46%	0.463	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	144	169.8	-64.9	179.8	171.1	0	0	109.7	K1046 V1085 E1086 L1088	E1044-K1046 IonicContact OE2-NZ 3.13Å; E1044-V1085 CarbonylContact O-C 3.57Å; E1044-V1085 VanDerWaalsContact O-CA 3.27Å; E1044-V1085 WeakPolarHBondContact O-CA 3.44Å; E1044-E1086 PolarHBondContact N-O 3.32Å; E1044-E1086 PolarHBondContact O-N 2.85Å; E1044-L1088 HydrophobicContact CG-CD2 3.85Å
1045	F	92.3	Very high	94.3	Very high	15 Å²	15	32.9 Å²	32.9	7%	0.066	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	122	168.5	-65.2	-72.2	0	0	0	109.7	L1022 I1038 P1040 F1043 V1063 G1067 I1069 C1083 V1085	L1022-F1045 HydrophobicContact CD2-CE1 4.24Å; I1038-F1045 HydrophobicContact CG2-CZ 4.26Å; P1040-F1045 HydrophobicContact CB-CD2 4.02Å; P1040-F1045 HydrophobicContact CB-CE2 3.57Å; P1040-F1045 HydrophobicContact CB-CZ 4.17Å; P1040-F1045 HydrophobicContact CG-CD2 3.62Å; P1040-F1045 HydrophobicContact CG-CE2 3.55Å; F1043-F1045 HydrophobicContact CE2-CD1 4.05Å; F1043-F1045 AromaticContact CE2-CE1 3.58Å; F1043-F1045 HydrophobicContact CE2-CE1 3.58Å; F1043-F1045 HydrophobicContact CE2-CE2 4.18Å; F1043-F1045 AromaticContact CE2-CZ 3.65Å; F1043-F1045 HydrophobicContact CE2-CZ 3.65Å; F1043-F1045 HydrophobicContact CZ-CE1 4.31Å; F1043-F1045 HydrophobicContact CZ-CZ 4.15Å; F1045-V1063 HydrophobicContact CB-CG1 4.36Å; F1045-V1063 HydrophobicContact CB-CG2 3.99Å; F1045-G1067 WeakPolarHBondContact CD2-O 3.45Å; F1045-I1069 HydrophobicContact CD1-CD1 3.89Å; F1045-I1069 HydrophobicContact CD2-CD1 3.38Å; F1045-I1069 HydrophobicContact CD2-CG1 4.08Å; F1045-I1069 HydrophobicContact CE1-CD1 3.71Å; F1045-I1069 HydrophobicContact CE2-CD1 3.2Å; F1045-I1069 HydrophobicContact CE2-CG1 4.19Å; F1045-I1069 HydrophobicContact CG-CD1 3.74Å; F1045-I1069 HydrophobicContact CZ-CD1 3.38Å; F1045-C1083 HydrophobicContact CD1-CB 3.86Å; F1045-C1083 HydrophobicContact CE1-CB 4.09Å; F1045-V1085 HydrophobicContact CD1-CG1 3.94Å; F1045-V1085 HydrophobicContact CE1-CG1 4.22Å
1046	K	89.8	Confident	94.1	Very high	115 Å²	115	32 Å²	32	50%	0.5	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	-37.7	171	-69.1	-55.1	-170.6	-156.1	0	112.3	E1044 D1084 E1086	E1044-K1046 IonicContact OE2-NZ 3.13Å; K1046-D1084 HydrophobicContact CB-CB 4.05Å; K1046-D1084 PolarHBondContact N-O 3.19Å; K1046-E1086 HydrophobicContact CD-CB 4.48Å; K1046-E1086 WeakPolarHBondContact CE-OE2 3.3Å; K1046-E1086 HydrophobicContact CG-CB 4.14Å; K1046-E1086 IonicContact NZ-OE2 3.53Å; K1046-E1086 PolarHBondContact NZ-OE2 3.47Å
1047	S	88.6	Confident	94	Very high	20 Å²	20	34.9 Å²	34.9	14%	0.14	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	154.1	173.2	79.4	0	0	0	0	108.8	C1083 D1084	S1047-C1083 WeakPolarHBondContact O-CA 3.15Å; S1047-C1083 WeakPolarHBondContact O-CB 2.72Å; S1047-D1084 WeakPolarHBondContact CB-OD2 3.08Å; S1047-D1084 PolarHBondContact N-O 2.78Å; S1047-D1084 PolarHBondContact O-N 3.14Å; S1047-D1084 VanDerWaalsContact OG-CB 3.31Å; S1047-D1084 WeakPolarHBondContact OG-CB 3.35Å; S1047-D1084 PolarHBondContact OG-N 3.04Å; S1047-D1084 PolarHBondContact OG-OD2 3.28Å
1048	F	90.4	Very high	93.9	Very high	3 Å²	3	37.4 Å²	37.4	1%	0.013	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	126.1	175.5	177.6	-79.9	0	0	0	108.4	L1050 Q1060 V1061 V1063 I1069 L1071 I1081 C1083	F1048-L1050 HydrophobicContact CE1-CD2 3.96Å; F1048-L1050 HydrophobicContact CE1-CG 4.23Å; F1048-L1050 HydrophobicContact CZ-CD2 4.14Å; F1048-Q1060 VanDerWaalsContact O-CA 3.31Å; F1048-Q1060 WeakPolarHBondContact O-CA 3.4Å; F1048-V1061 HydrophobicContact CD1-CB 3.41Å; F1048-V1061 VanDerWaalsContact CD1-CB 3.41Å; F1048-V1061 HydrophobicContact CD1-CG1 4.46Å; F1048-V1061 HydrophobicContact CD1-CG2 3.77Å; F1048-V1061 HydrophobicContact CE1-CB 3.58Å; F1048-V1061 HydrophobicContact CE1-CG1 4.39Å; F1048-V1061 HydrophobicContact CE1-CG2 3.55Å; F1048-V1061 PolarHBondContact O-N 2.92Å; F1048-V1063 HydrophobicContact CB-CG2 4.13Å; F1048-I1069 HydrophobicContact CD2-CB 4.42Å; F1048-I1069 HydrophobicContact CD2-CD1 3.2Å; F1048-I1069 HydrophobicContact CD2-CG1 3.66Å; F1048-I1069 HydrophobicContact CD2-CG2 4.04Å; F1048-I1069 HydrophobicContact CE1-CG2 4.22Å; F1048-I1069 HydrophobicContact CE2-CB 4.24Å; F1048-I1069 HydrophobicContact CE2-CD1 3.5Å; F1048-I1069 HydrophobicContact CE2-CG1 3.96Å; F1048-I1069 HydrophobicContact CE2-CG2 3.58Å; F1048-I1069 HydrophobicContact CG-CD1 4.17Å; F1048-I1069 HydrophobicContact CG-CG1 4.22Å; F1048-I1069 HydrophobicContact CG-CG2 4.49Å; F1048-I1069 HydrophobicContact CZ-CG2 3.69Å; F1048-L1071 HydrophobicContact CE1-CD2 4.35Å; F1048-L1071 HydrophobicContact CZ-CD2 3.74Å; F1048-I1081 HydrophobicContact CD2-CG2 3.62Å; F1048-I1081 HydrophobicContact CE2-CB 4.02Å; F1048-I1081 HydrophobicContact CE2-CD1 3.7Å; F1048-I1081 HydrophobicContact CE2-CG1 3.79Å; F1048-I1081 HydrophobicContact CE2-CG2 3.1Å; F1048-I1081 HydrophobicContact CZ-CB 4.19Å; F1048-I1081 HydrophobicContact CZ-CD1 3.63Å; F1048-I1081 HydrophobicContact CZ-CG1 3.53Å; F1048-I1081 HydrophobicContact CZ-CG2 3.71Å; F1048-C1083 WeakPolarHBondContact CD2-SG 3.2Å
1049	S	95.1	Very high	93.8	Very high	13 Å²	13	39.9 Å²	39.9	9%	0.091	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	135.7	174.2	-53.3	0	0	0	0	110.7	S1059 I1081 I1082	S1049-S1059 CarbonylContact C-O 3.57Å; S1049-S1059 VanDerWaalsContact CA-O 3.3Å; S1049-S1059 WeakPolarHBondContact CA-O 3.3Å; S1049-I1081 WeakPolarHBondContact O-CA 3.49Å; S1049-I1082 PolarHBondContact N-O 3.41Å; S1049-I1082 PolarHBondContact O-N 3.26Å
1050	L	95.4	Very high	93.5	Very high	47 Å²	47	44.8 Å²	44.8	25%	0.246	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	138.8	157.8	-61.1	176.3	0	0	0	107.9	F1048 V1058 S1059 V1061 M1079 I1081	F1048-L1050 HydrophobicContact CE1-CD2 3.96Å; F1048-L1050 HydrophobicContact CE1-CG 4.23Å; F1048-L1050 HydrophobicContact CZ-CD2 4.14Å; L1050-V1058 PolarHBondContact O-N 2.99Å; L1050-S1059 PolarHBondContact N-O 2.99Å; L1050-S1059 PolarHBondContact O-N 2.68Å; L1050-S1059 VanDerWaalsContact O-N 3.14Å; L1050-V1061 HydrophobicContact CD1-CG2 3.92Å; L1050-V1061 HydrophobicContact CG-CG2 3.74Å; L1050-M1079 HydrophobicContact CD2-CE 4.34Å; L1050-M1079 HydrophobicContact CD2-CG 3.61Å; L1050-M1079 HydrophobicContact CD2-SD 3.44Å; L1050-M1079 WeakPolarHBondContact CD2-SD 3.43Å; L1050-I1081 HydrophobicContact CD2-CG1 4.19Å
1051	G	96.1	Very high	93	Very high	15 Å²	15	45.7 Å²	45.7	16%	0.155	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	170.8	-176.6	0	0	0	0	0	113.1	E1056 T1080	G1051-E1056 CarbonylContact C-O 3.48Å; G1051-E1056 WeakPolarHBondContact CA-O 3.49Å; G1051-T1080 PolarHBondContact N-O 3.38Å; G1051-T1080 WeakPolarHBondContact O-CB 3.48Å
1052	Y	97.1	Very high	92.5	Very high	88 Å²	88	47.7 Å²	47.7	35%	0.345	26%	0.257	S	S	.	.			trans	-69.1	156	166.1	-67.5	-64.9	0	0	0	110.6	A455 Q457 T1054 E1055 E1056 V1058	A455-Y1052 CarbonylContact O-C 3.6Å; A455-Y1052 WeakPolarHBondContact O-CA 3.26Å; A455-Y1052 WeakPolarHBondContact O-CB 3.4Å; Q457-Y1052 VanDerWaalsContact CD-CD2 3.45Å; Q457-Y1052 HydrophobicContact CG-CD1 3.43Å; Q457-Y1052 VanDerWaalsContact CG-CD1 3.43Å; Q457-Y1052 HydrophobicContact CG-CD2 3.5Å; Q457-Y1052 HydrophobicContact CG-CE1 3.67Å; Q457-Y1052 HydrophobicContact CG-CE2 3.72Å; Q457-Y1052 HydrophobicContact CG-CG 3.35Å; Y1052-T1054 WeakPolarHBondContact CB-OG1 3.3Å; Y1052-T1054 PolarHBondContact O-N 3.43Å; Y1052-T1054 VanDerWaalsContact O-N 3.15Å; Y1052-E1055 PolarHBondContact O-N 2.78Å; Y1052-E1056 HydrophobicContact CD2-CB 4.28Å; Y1052-E1056 PolarHBondContact N-O 2.89Å; Y1052-V1058 HydrophobicContact CD2-CG2 3.43Å; Y1052-V1058 VanDerWaalsContact CD2-CG2 3.43Å; Y1052-V1058 HydrophobicContact CE1-CG2 4.42Å; Y1052-V1058 HydrophobicContact CE2-CG2 3.33Å; Y1052-V1058 HydrophobicContact CG-CG2 4.06Å
1053	A	97	Very high	92.2	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-19.6	174.2	0	0	0	0	0	113.3	I416 A455 R1025 E1055 T1080	I416-A1053 HydrophobicContact CD1-CB 4.4Å; I416-A1053 HydrophobicContact CG1-CB 4.46Å; I416-A1053 HydrophobicContact CG2-CB 3.81Å; A455-A1053 HydrophobicContact CB-CB 3.83Å; A455-A1053 WeakPolarHBondContact O-CB 3.48Å; A455-A1053 PolarHBondContact O-N 2.62Å; R1025-A1053 VanDerWaalsContact NH1-CA 3.29Å; R1025-A1053 PolarHBondContact NH2-O 3.47Å; A1053-E1055 PolarHBondContact O-N 2.94Å; A1053-T1080 WeakPolarHBondContact CA-OG1 3.16Å
1054	T	95.9	Very high	91.9	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77	10.7	169.7	55.5	0	0	0	0	114	Q423 H424 C456 Q457 Y1052 E1056	Q423-T1054 HydrophobicContact CB-CG2 4.05Å; Q423-T1054 HydrophobicContact CG-CG2 4.14Å; H424-T1054 PolarHBondContact NE2-O 2.98Å; C456-T1054 HydrophobicContact CB-CG2 4.33Å; Q457-T1054 PolarHBondContact NE2-OG1 2.81Å; Y1052-T1054 WeakPolarHBondContact CB-OG1 3.3Å; Y1052-T1054 PolarHBondContact O-N 3.43Å; Y1052-T1054 VanDerWaalsContact O-N 3.15Å; T1054-E1056 PolarHBondContact O-N 2.94Å
1055	E	95.8	Very high	91.5	Very high	10 Å²	10	55 Å²	55	5%	0.047	30%	0.303	C	S	.	.	S	Bend	trans	66.2	33.2	176.8	-51.4	-178.5	-176.9	0	0	114.5	L420 K1014 S1016 E1017 V1023 Y1052 A1053 I1082	L420-E1055 HydrophobicContact CD1-CG 3.95Å; K1014-E1055 IonicContact NZ-OE1 3.77Å; K1014-E1055 PolarHBondContact NZ-OE1 3.3Å; K1014-E1055 IonicContact NZ-OE2 3.09Å; S1016-E1055 VanDerWaalsContact CA-OE2 3.25Å; S1016-E1055 WeakPolarHBondContact CA-OE2 3.37Å; E1017-E1055 PolarHBondContact N-OE2 2.88Å; V1023-E1055 HydrophobicContact CG2-CG 4.21Å; Y1052-E1055 PolarHBondContact O-N 2.78Å; A1053-E1055 PolarHBondContact O-N 2.94Å; E1055-I1082 VanDerWaalsContact C-CD1 3.43Å
1056	E	93.7	Very high	91.4	Very high	57 Å²	57	59.6 Å²	59.6	27%	0.266	33%	0.328	S	S	.	.			trans	-104.4	118	171.8	-69.6	-60.6	145.4	0	0	109.8	K1018 G1051 Y1052 T1054	K1018-E1056 IonicContact NZ-OE1 3.38Å; K1018-E1056 PolarHBondContact NZ-OE1 3.31Å; G1051-E1056 CarbonylContact C-O 3.48Å; G1051-E1056 WeakPolarHBondContact CA-O 3.49Å; Y1052-E1056 HydrophobicContact CD2-CB 4.28Å; Y1052-E1056 PolarHBondContact N-O 2.89Å; T1054-E1056 PolarHBondContact O-N 2.94Å
1057	P	93.9	Very high	91.4	Very high	62 Å²	62	55.4 Å²	55.4	40%	0.403	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	137.7	176.8	-21.5	32.3	0	0	0	112	I1082	P1057-I1082 HydrophobicContact CB-CD1 4.45Å; P1057-I1082 HydrophobicContact CG-CD1 3.91Å; P1057-I1082 HydrophobicContact CG-CG2 4.4Å
1058	V	93.4	Very high	91.6	Very high	86 Å²	86	54.5 Å²	54.5	52%	0.521	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	-51.6	-179.2	177	0	0	0	0	111.2	L1050 Y1052	L1050-V1058 PolarHBondContact O-N 2.99Å; Y1052-V1058 HydrophobicContact CD2-CG2 3.43Å; Y1052-V1058 VanDerWaalsContact CD2-CG2 3.43Å; Y1052-V1058 HydrophobicContact CE1-CG2 4.42Å; Y1052-V1058 HydrophobicContact CE2-CG2 3.33Å; Y1052-V1058 HydrophobicContact CG-CG2 4.06Å
1059	S	93.2	Very high	91.7	Very high	53 Å²	53	54.4 Å²	54.4	37%	0.371	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	130.6	-176.3	60.4	0	0	0	0	111.5	S1049 L1050	S1049-S1059 CarbonylContact C-O 3.57Å; S1049-S1059 VanDerWaalsContact CA-O 3.3Å; S1049-S1059 WeakPolarHBondContact CA-O 3.3Å; L1050-S1059 PolarHBondContact N-O 2.99Å; L1050-S1059 PolarHBondContact O-N 2.68Å; L1050-S1059 VanDerWaalsContact O-N 3.14Å
1060	Q	89.6	Confident	91.6	Very high	156 Å²	156	61.7 Å²	61.7	73%	0.729	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.7	141.9	171.5	-75.1	-173.3	-18.3	0	0	111	F1048	F1048-Q1060 VanDerWaalsContact O-CA 3.31Å; F1048-Q1060 WeakPolarHBondContact O-CA 3.4Å
1061	V	84	Confident	91.6	Very high	40 Å²	40	59.9 Å²	59.9	24%	0.242	33%	0.327	C	S	.	.			trans	-118.9	135.8	171.1	-170.7	0	0	0	0	108.1	F1048 L1050 V1063	F1048-V1061 HydrophobicContact CD1-CB 3.41Å; F1048-V1061 VanDerWaalsContact CD1-CB 3.41Å; F1048-V1061 HydrophobicContact CD1-CG1 4.46Å; F1048-V1061 HydrophobicContact CD1-CG2 3.77Å; F1048-V1061 HydrophobicContact CE1-CB 3.58Å; F1048-V1061 HydrophobicContact CE1-CG1 4.39Å; F1048-V1061 HydrophobicContact CE1-CG2 3.55Å; F1048-V1061 PolarHBondContact O-N 2.92Å; L1050-V1061 HydrophobicContact CD1-CG2 3.92Å; L1050-V1061 HydrophobicContact CG-CG2 3.74Å; V1061-V1063 PolarHBondContact O-N 2.95Å
1062	P	84	Confident	91.5	Very high	113 Å²	113	64.9 Å²	64.9	73%	0.734	35%	0.35	S	S	*	.	P	Polyproline II helix	trans	-62.7	135	178.7	24.5	-33.9	0	0	0	111.3
1063	V	84.5	Confident	91.5	Very high	45 Å²	45	60.8 Å²	60.8	27%	0.273	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-75.9	137.7	167.6	-176.6	0	0	0	0	108.1	F1045 F1048 V1061	F1045-V1063 HydrophobicContact CB-CG1 4.36Å; F1045-V1063 HydrophobicContact CB-CG2 3.99Å; F1048-V1063 HydrophobicContact CB-CG2 4.13Å; V1061-V1063 PolarHBondContact O-N 2.95Å
1064	S	87.4	Confident	91.6	Very high	36 Å²	36	64.6 Å²	64.6	25%	0.252	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-66.2	158.2	178.2	-61	0	0	0	0	111	D1066 G1067 S1068	S1064-D1066 WeakPolarHBondContact CB-OD1 3.49Å; S1064-D1066 PolarHBondContact O-N 2.9Å; S1064-D1066 VanDerWaalsContact O-N 3.08Å; S1064-G1067 PolarHBondContact O-N 3.38Å; S1064-S1068 WeakPolarHBondContact CB-O 3.41Å; S1064-S1068 PolarHBondContact N-O 3.07Å; S1064-S1068 PolarHBondContact OG-O 3.13Å
1065	N	85.6	Confident	91.7	Very high	181 Å²	181	66.3 Å²	66.3	97%	0.968	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-23.7	-180	-69	-15.8	0	0	0	113.9	G1067	N1065-G1067 VanDerWaalsContact C-N 3.28Å
1066	D	89.1	Confident	91.8	Very high	112 Å²	112	66.7 Å²	66.7	60%	0.599	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	5.1	175.9	63.1	3.2	0	0	0	113.4	S1064 S1068	S1064-D1066 WeakPolarHBondContact CB-OD1 3.49Å; S1064-D1066 PolarHBondContact O-N 2.9Å; S1064-D1066 VanDerWaalsContact O-N 3.08Å; D1066-S1068 VanDerWaalsContact C-N 3.26Å; D1066-S1068 VanDerWaalsContact CG-OG 3.29Å; D1066-S1068 PolarHBondContact O-N 3.24Å; D1066-S1068 VanDerWaalsContact OD1-CB 3.3Å; D1066-S1068 WeakPolarHBondContact OD1-CB 3.49Å; D1066-S1068 PolarHBondContact OD1-N 2.86Å; D1066-S1068 PolarHBondContact OD1-OG 3.2Å; D1066-S1068 PolarHBondContact OD2-OG 3.43Å
1067	G	90.1	Very high	92.1	Very high	27 Å²	27	66.1 Å²	66.1	28%	0.278	37%	0.365	S	S	.	.	S	Bend	trans	80.1	-0.2	-177.9	0	0	0	0	0	114.5	P1040 F1045 S1064 N1065	P1040-G1067 WeakPolarHBondContact CD-O 3.27Å; F1045-G1067 WeakPolarHBondContact CD2-O 3.45Å; S1064-G1067 PolarHBondContact O-N 3.38Å; N1065-G1067 VanDerWaalsContact C-N 3.28Å
1068	S	93.4	Very high	92.3	Very high	1 Å²	1	63.9 Å²	63.9	1%	0.007	35%	0.349	C	S	.	.			trans	-85.8	162	177.2	73.7	0	0	0	0	112.6	I1038 S1064 D1066	I1038-S1068 WeakPolarHBondContact O-CA 3.18Å; S1064-S1068 WeakPolarHBondContact CB-O 3.41Å; S1064-S1068 PolarHBondContact N-O 3.07Å; S1064-S1068 PolarHBondContact OG-O 3.13Å; D1066-S1068 VanDerWaalsContact C-N 3.26Å; D1066-S1068 VanDerWaalsContact CG-OG 3.29Å; D1066-S1068 PolarHBondContact O-N 3.24Å; D1066-S1068 VanDerWaalsContact OD1-CB 3.3Å; D1066-S1068 WeakPolarHBondContact OD1-CB 3.49Å; D1066-S1068 PolarHBondContact OD1-N 2.86Å; D1066-S1068 PolarHBondContact OD1-OG 3.2Å; D1066-S1068 PolarHBondContact OD2-OG 3.43Å
1069	I	91.7	Very high	92.4	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	133.8	171.3	-60.8	139.4	0	0	0	108.7	V1037 I1038 F1045 F1048 L1071	V1037-I1069 CarbonylContact C-O 3.41Å; V1037-I1069 VanDerWaalsContact CA-O 3.3Å; V1037-I1069 WeakPolarHBondContact CA-O 3.24Å; I1038-I1069 HydrophobicContact CB-CB 4.49Å; I1038-I1069 PolarHBondContact N-O 3.19Å; I1038-I1069 PolarHBondContact O-N 2.71Å; F1045-I1069 HydrophobicContact CD1-CD1 3.89Å; F1045-I1069 HydrophobicContact CD2-CD1 3.38Å; F1045-I1069 HydrophobicContact CD2-CG1 4.08Å; F1045-I1069 HydrophobicContact CE1-CD1 3.71Å; F1045-I1069 HydrophobicContact CE2-CD1 3.2Å; F1045-I1069 HydrophobicContact CE2-CG1 4.19Å; F1045-I1069 HydrophobicContact CG-CD1 3.74Å; F1045-I1069 HydrophobicContact CZ-CD1 3.38Å; F1048-I1069 HydrophobicContact CD2-CB 4.42Å; F1048-I1069 HydrophobicContact CD2-CD1 3.2Å; F1048-I1069 HydrophobicContact CD2-CG1 3.66Å; F1048-I1069 HydrophobicContact CD2-CG2 4.04Å; F1048-I1069 HydrophobicContact CE1-CG2 4.22Å; F1048-I1069 HydrophobicContact CE2-CB 4.24Å; F1048-I1069 HydrophobicContact CE2-CD1 3.5Å; F1048-I1069 HydrophobicContact CE2-CG1 3.96Å; F1048-I1069 HydrophobicContact CE2-CG2 3.58Å; F1048-I1069 HydrophobicContact CG-CD1 4.17Å; F1048-I1069 HydrophobicContact CG-CG1 4.22Å; F1048-I1069 HydrophobicContact CG-CG2 4.49Å; F1048-I1069 HydrophobicContact CZ-CG2 3.69Å; I1069-L1071 HydrophobicContact CG2-CD2 3.65Å; I1069-L1071 HydrophobicContact CG2-CG 3.98Å
1070	R	93.6	Very high	92.7	Very high	166 Å²	166	58.3 Å²	58.3	63%	0.626	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.9	133.5	172.4	-56.9	-170.4	178.9	175.5	-1	109.2	A1036 V1037	A1036-R1070 WeakPolarHBondContact O-CA 3.27Å; V1037-R1070 HydrophobicContact CG2-CG 4.16Å
1071	L	93.7	Very high	93	Very high	10 Å²	10	50.9 Å²	50.9	5%	0.052	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	139.2	-178.5	-56.1	173.1	0	0	0	108.8	L1026 S1035 A1036 I1038 F1048 I1069 L1073 M1079 I1081	L1026-L1071 HydrophobicContact CD1-CD1 4.07Å; L1026-L1071 HydrophobicContact CD2-CD1 4.04Å; S1035-L1071 CarbonylContact C-O 3.54Å; S1035-L1071 WeakPolarHBondContact CA-O 3.08Å; A1036-L1071 PolarHBondContact N-O 3.32Å; A1036-L1071 PolarHBondContact O-N 2.88Å; I1038-L1071 HydrophobicContact CD1-CD1 3.56Å; I1038-L1071 HydrophobicContact CG1-CD1 4.16Å; F1048-L1071 HydrophobicContact CE1-CD2 4.35Å; F1048-L1071 HydrophobicContact CZ-CD2 3.74Å; I1069-L1071 HydrophobicContact CG2-CD2 3.65Å; I1069-L1071 HydrophobicContact CG2-CG 3.98Å; L1071-L1073 HydrophobicContact CB-CD1 3.83Å; L1071-M1079 HydrophobicContact CD1-SD 4.1Å; L1071-M1079 HydrophobicContact CD2-SD 3.89Å; L1071-M1079 HydrophobicContact CG-SD 4.39Å; L1071-I1081 HydrophobicContact CD1-CD1 3.62Å; L1071-I1081 HydrophobicContact CD2-CD1 4.48Å
1072	D	95.6	Very high	93.5	Very high	119 Å²	119	49 Å²	49	64%	0.636	27%	0.266	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.9	125.9	167.6	-64.3	-51.4	0	0	0	107.4	S1035	S1035-D1072 VanDerWaalsContact CB-OD1 3.3Å; S1035-D1072 WeakPolarHBondContact CB-OD1 3.19Å; S1035-D1072 PolarHBondContact OG-OD1 3.34Å
1073	L	97.2	Very high	94	Very high	2 Å²	2	43.7 Å²	43.7	1%	0.01	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	138.2	-179.7	-69.4	82.9	0	0	0	109.4	V1008 L1026 E1028 H1033 A1034 L1071 E1077 M1079	V1008-L1073 HydrophobicContact CG1-CD1 4.33Å; V1008-L1073 HydrophobicContact CG1-CD2 4.14Å; V1008-L1073 HydrophobicContact CG2-CD1 4.08Å; V1008-L1073 HydrophobicContact CG2-CD2 4.31Å; L1026-L1073 HydrophobicContact CD1-CD1 4.37Å; L1026-L1073 HydrophobicContact CD1-CD2 3.8Å; E1028-L1073 HydrophobicContact CB-CB 4.08Å; E1028-L1073 HydrophobicContact CB-CD2 4.07Å; E1028-L1073 HydrophobicContact CG-CB 4.43Å; H1033-L1073 WeakPolarHBondContact CA-O 3.31Å; A1034-L1073 PolarHBondContact N-O 3.29Å; A1034-L1073 PolarHBondContact O-N 2.91Å; L1071-L1073 HydrophobicContact CB-CD1 3.83Å; L1073-E1077 WeakPolarHBondContact CA-OE2 3.24Å; L1073-E1077 HydrophobicContact CB-CB 4.27Å; L1073-M1079 HydrophobicContact CG-CE 4.25Å
1074	N	98	Very high	94.4	Very high	81 Å²	81	44.3 Å²	44.3	43%	0.433	23%	0.233	S	C	.	.			trans	-75.2	164.5	167.5	-62.7	-66.9	0	0	0	110.9	E1028 H1033 F1076 E1077	E1028-N1074 WeakPolarHBondContact CB-O 3.17Å; H1033-N1074 PolarHBondContact CE1-OD1 2.8Å; H1033-N1074 VanDerWaalsContact CE1-OD1 3.23Å; H1033-N1074 PolarHBondContact ND1-OD1 3.14Å; N1074-F1076 PolarHBondContact O-N 3.37Å; N1074-E1077 HydrophobicContact CB-CB 4.16Å; N1074-E1077 WeakPolarHBondContact CB-OE2 3.23Å; N1074-E1077 PolarHBondContact N-OE2 3Å; N1074-E1077 PolarHBondContact ND2-OE2 3.03Å; N1074-E1077 VanDerWaalsContact O-CB 3.24Å; N1074-E1077 WeakPolarHBondContact O-CB 2.95Å; N1074-E1077 PolarHBondContact O-N 3Å
1075	P	98.2	Very high	94.7	Very high	35 Å²	35	42.7 Å²	42.7	23%	0.227	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47	125.8	173.3	-30.6	36.5	0	0	0	112.1	D485 G1032 E1077	D485-P1075 WeakPolarHBondContact CA-O 3.43Å; D485-P1075 WeakPolarHBondContact CB-O 3.45Å; G1032-P1075 WeakPolarHBondContact O-CA 3.22Å; P1075-E1077 PolarHBondContact O-N 2.97Å; P1075-E1077 VanDerWaalsContact O-N 3.13Å
1076	F	98.6	Very high	95	Very high	18 Å²	18	38.7 Å²	38.7	8%	0.079	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.3	18	-179.3	-57.5	-61.6	0	0	0	116.2	Q448 Q451 I484 D485 G875 H876 E1028 G1031 N1074 I1078	Q448-F1076 PolarHBondContact NE2-O 3.26Å; Q451-F1076 PolarHBondContact OE1-O 3.02Å; I484-F1076 HydrophobicContact CB-CD2 4.01Å; I484-F1076 HydrophobicContact CB-CE2 4.36Å; I484-F1076 HydrophobicContact CD1-CB 3.94Å; I484-F1076 HydrophobicContact CD1-CD1 3.8Å; I484-F1076 HydrophobicContact CD1-CD2 3.58Å; I484-F1076 HydrophobicContact CD1-CE1 4.13Å; I484-F1076 HydrophobicContact CD1-CE2 3.91Å; I484-F1076 HydrophobicContact CD1-CG 3.5Å; I484-F1076 HydrophobicContact CD1-CZ 4.16Å; I484-F1076 HydrophobicContact CG1-CB 3.95Å; I484-F1076 HydrophobicContact CG1-CD2 3.75Å; I484-F1076 HydrophobicContact CG1-CE2 4.37Å; I484-F1076 HydrophobicContact CG1-CG 3.89Å; D485-F1076 HydrophobicContact CB-CB 4.03Å; G875-F1076 VanDerWaalsContact CA-CD1 3.5Å; H876-F1076 AromaticContact CD2-CZ 3.88Å; H876-F1076 AromaticContact CE1-CE1 3.46Å; H876-F1076 VanDerWaalsContact CE1-CE1 3.46Å; H876-F1076 WeakPolarHBondContact CE1-CE1 3.25Å; H876-F1076 AromaticContact CE1-CZ 3.41Å; H876-F1076 VanDerWaalsContact CE1-CZ 3.41Å; H876-F1076 WeakPolarHBondContact CE1-CZ 3.27Å; H876-F1076 AromaticContact ND1-CE1 3.49Å; H876-F1076 WeakPolarHBondContact ND1-CE1 3.48Å; H876-F1076 AromaticContact ND1-CZ 3.73Å; H876-F1076 AromaticContact NE2-CZ 3.51Å; E1028-F1076 VanDerWaalsContact O-CA 3.28Å; E1028-F1076 WeakPolarHBondContact O-CA 3.43Å; E1028-F1076 PolarHBondContact OE2-N 2.83Å; G1031-F1076 VanDerWaalsContact CA-CE2 3.48Å; G1031-F1076 VanDerWaalsContact CA-CZ 3.42Å; N1074-F1076 PolarHBondContact O-N 3.37Å; F1076-I1078 PolarHBondContact O-N 3.04Å
1077	E	98.5	Very high	95.1	Very high	46 Å²	46	34.4 Å²	34.4	22%	0.215	18%	0.175	C	C	.	.			trans	-67.6	129.3	-176.1	-173	172.1	179.8	0	0	112.5	Y1027 E1028 L1073 N1074 P1075	Y1027-E1077 CarbonylContact C-O 3.58Å; Y1027-E1077 WeakPolarHBondContact CA-O 3.45Å; E1028-E1077 PolarHBondContact N-O 2.9Å; L1073-E1077 WeakPolarHBondContact CA-OE2 3.24Å; L1073-E1077 HydrophobicContact CB-CB 4.27Å; N1074-E1077 HydrophobicContact CB-CB 4.16Å; N1074-E1077 WeakPolarHBondContact CB-OE2 3.23Å; N1074-E1077 PolarHBondContact N-OE2 3Å; N1074-E1077 PolarHBondContact ND2-OE2 3.03Å; N1074-E1077 VanDerWaalsContact O-CB 3.24Å; N1074-E1077 WeakPolarHBondContact O-CB 2.95Å; N1074-E1077 PolarHBondContact O-N 3Å; P1075-E1077 PolarHBondContact O-N 2.97Å; P1075-E1077 VanDerWaalsContact O-N 3.13Å
1078	I	98.3	Very high	95.2	Very high	14 Å²	14	35.7 Å²	35.7	7%	0.072	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	125.5	170.1	-56.6	159.7	0	0	0	108.9	I416 Q451 I452 F874 R1025 F1076	I416-I1078 HydrophobicContact CD1-CG2 4.35Å; Q451-I1078 HydrophobicContact CB-CD1 4.37Å; Q451-I1078 HydrophobicContact CG-CD1 4.14Å; Q451-I1078 VanDerWaalsContact NE2-N 3.12Å; Q451-I1078 VanDerWaalsContact OE1-CG1 3.3Å; I452-I1078 HydrophobicContact CG1-CD1 3.8Å; F874-I1078 HydrophobicContact CB-CD1 3.89Å; F874-I1078 HydrophobicContact CB-CG1 3.8Å; F874-I1078 HydrophobicContact CD2-CD1 3.31Å; F874-I1078 HydrophobicContact CD2-CG1 3.85Å; F874-I1078 HydrophobicContact CE2-CD1 4Å; F874-I1078 HydrophobicContact CG-CD1 3.8Å; F874-I1078 HydrophobicContact CG-CG1 3.84Å; R1025-I1078 HydrophobicContact CG-CG2 4.37Å; F1076-I1078 PolarHBondContact O-N 3.04Å
1079	M	97.2	Very high	94.9	Very high	17 Å²	17	39.7 Å²	39.7	8%	0.084	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	133	-179.9	-168.3	177.6	-73.9	0	0	111.1	R1025 L1026 L1050 L1071 L1073 I1081	R1025-M1079 WeakPolarHBondContact CA-O 3.26Å; L1026-M1079 HydrophobicContact CD1-CB 3.7Å; L1026-M1079 HydrophobicContact CD1-CG 4.35Å; L1026-M1079 HydrophobicContact CD1-SD 4.21Å; L1026-M1079 HydrophobicContact CG-CB 4.37Å; L1026-M1079 PolarHBondContact N-O 3.1Å; L1026-M1079 PolarHBondContact O-N 3.08Å; L1050-M1079 HydrophobicContact CD2-CE 4.34Å; L1050-M1079 HydrophobicContact CD2-CG 3.61Å; L1050-M1079 HydrophobicContact CD2-SD 3.44Å; L1050-M1079 WeakPolarHBondContact CD2-SD 3.43Å; L1071-M1079 HydrophobicContact CD1-SD 4.1Å; L1071-M1079 HydrophobicContact CD2-SD 3.89Å; L1071-M1079 HydrophobicContact CG-SD 4.39Å; L1073-M1079 HydrophobicContact CG-CE 4.25Å; M1079-I1081 HydrophobicContact CG-CG1 4.29Å; M1079-I1081 HydrophobicContact SD-CD1 4.43Å; M1079-I1081 HydrophobicContact SD-CG1 4.5Å
1080	T	97.7	Very high	94.7	Very high	5 Å²	5	43.6 Å²	43.6	3%	0.031	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	131.5	172	-40.8	0	0	0	0	109.5	V1023 R1025 G1051 A1053	V1023-T1080 HydrophobicContact CG1-CG2 4Å; R1025-T1080 PolarHBondContact NH1-OG1 3.46Å; G1051-T1080 PolarHBondContact N-O 3.38Å; G1051-T1080 WeakPolarHBondContact O-CB 3.48Å; A1053-T1080 WeakPolarHBondContact CA-OG1 3.16Å
1081	I	95.8	Very high	94.4	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	132.2	-176.7	-68.8	168	0	0	0	107.9	V1023 L1024 L1026 I1038 F1048 S1049 L1050 L1071 M1079 C1083	V1023-I1081 CarbonylContact C-O 3.5Å; V1023-I1081 VanDerWaalsContact CA-O 3.31Å; V1023-I1081 WeakPolarHBondContact CA-O 3.38Å; L1024-I1081 HydrophobicContact CB-CB 4.08Å; L1024-I1081 HydrophobicContact CB-CG2 4.35Å; L1024-I1081 HydrophobicContact CD1-CG2 4.5Å; L1024-I1081 PolarHBondContact N-O 3.05Å; L1024-I1081 PolarHBondContact O-N 3.13Å; L1026-I1081 HydrophobicContact CD2-CD1 3.5Å; L1026-I1081 VanDerWaalsContact CD2-CD1 3.5Å; L1026-I1081 HydrophobicContact CG-CD1 4.17Å; I1038-I1081 HydrophobicContact CD1-CD1 4.11Å; F1048-I1081 HydrophobicContact CD2-CG2 3.62Å; F1048-I1081 HydrophobicContact CE2-CB 4.02Å; F1048-I1081 HydrophobicContact CE2-CD1 3.7Å; F1048-I1081 HydrophobicContact CE2-CG1 3.79Å; F1048-I1081 HydrophobicContact CE2-CG2 3.1Å; F1048-I1081 HydrophobicContact CZ-CB 4.19Å; F1048-I1081 HydrophobicContact CZ-CD1 3.63Å; F1048-I1081 HydrophobicContact CZ-CG1 3.53Å; F1048-I1081 HydrophobicContact CZ-CG2 3.71Å; S1049-I1081 WeakPolarHBondContact O-CA 3.49Å; L1050-I1081 HydrophobicContact CD2-CG1 4.19Å; L1071-I1081 HydrophobicContact CD1-CD1 3.62Å; L1071-I1081 HydrophobicContact CD2-CD1 4.48Å; M1079-I1081 HydrophobicContact CG-CG1 4.29Å; M1079-I1081 HydrophobicContact SD-CD1 4.43Å; M1079-I1081 HydrophobicContact SD-CG1 4.5Å; I1081-C1083 WeakPolarHBondContact CG2-SG 3.49Å
1082	I	96.3	Very high	94	Very high	2 Å²	2	37.7 Å²	37.7	1%	0.01	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	119.4	178.9	-53.1	167.1	0	0	0	107.5	Q1021 L1022 S1049 E1055 P1057	Q1021-I1082 HydrophobicContact CB-CG2 4.04Å; Q1021-I1082 HydrophobicContact CG-CG2 4.5Å; L1022-I1082 WeakPolarHBondContact O-CA 3.21Å; S1049-I1082 PolarHBondContact N-O 3.41Å; S1049-I1082 PolarHBondContact O-N 3.26Å; E1055-I1082 VanDerWaalsContact C-CD1 3.43Å; P1057-I1082 HydrophobicContact CB-CD1 4.45Å; P1057-I1082 HydrophobicContact CG-CD1 3.91Å; P1057-I1082 HydrophobicContact CG-CG2 4.4Å
1083	C	94.2	Very high	93.5	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	136.8	-171.1	-62.6	0	0	0	0	112.7	L1022 F1045 S1047 F1048 I1081 V1085	L1022-C1083 HydrophobicContact CB-CB 4.27Å; L1022-C1083 PolarHBondContact N-O 2.83Å; L1022-C1083 PolarHBondContact O-N 3.14Å; F1045-C1083 HydrophobicContact CD1-CB 3.86Å; F1045-C1083 HydrophobicContact CE1-CB 4.09Å; S1047-C1083 WeakPolarHBondContact O-CA 3.15Å; S1047-C1083 WeakPolarHBondContact O-CB 2.72Å; F1048-C1083 WeakPolarHBondContact CD2-SG 3.2Å; I1081-C1083 WeakPolarHBondContact CG2-SG 3.49Å; C1083-V1085 HydrophobicContact CB-CG1 4.1Å
1084	D	93.1	Very high	92.9	Very high	59 Å²	59	40.1 Å²	40.1	32%	0.316	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	126.8	156.4	-59.8	-51.1	0	0	0	108.8	Q1021 K1046 S1047	Q1021-D1084 WeakPolarHBondContact CG-OD1 3.28Å; Q1021-D1084 PolarHBondContact NE2-OD1 3.29Å; K1046-D1084 HydrophobicContact CB-CB 4.05Å; K1046-D1084 PolarHBondContact N-O 3.19Å; S1047-D1084 WeakPolarHBondContact CB-OD2 3.08Å; S1047-D1084 PolarHBondContact N-O 2.78Å; S1047-D1084 PolarHBondContact O-N 3.14Å; S1047-D1084 VanDerWaalsContact OG-CB 3.31Å; S1047-D1084 WeakPolarHBondContact OG-CB 3.35Å; S1047-D1084 PolarHBondContact OG-N 3.04Å; S1047-D1084 PolarHBondContact OG-OD2 3.28Å
1085	V	93.4	Very high	92.2	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.006	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	150.7	179.6	-62	0	0	0	0	111.6	F617 W620 L621 K625 L1022 F1043 E1044 F1045 C1083	F617-V1085 HydrophobicContact CE2-CG2 4.34Å; F617-V1085 HydrophobicContact CZ-CG2 4.25Å; W620-V1085 HydrophobicContact CH2-CG2 4.31Å; W620-V1085 HydrophobicContact CZ3-CG2 3.82Å; L621-V1085 HydrophobicContact CD1-CG2 3.96Å; K625-V1085 WeakPolarHBondContact CE-O 3.42Å; K625-V1085 PolarHBondContact NZ-O 3.03Å; L1022-V1085 HydrophobicContact CB-CG1 4.05Å; L1022-V1085 HydrophobicContact CB-CG2 4.39Å; L1022-V1085 HydrophobicContact CD2-CG1 3.87Å; F1043-V1085 HydrophobicContact CB-CB 4.44Å; F1043-V1085 HydrophobicContact CD2-CB 3.69Å; F1043-V1085 HydrophobicContact CD2-CG1 3.52Å; F1043-V1085 HydrophobicContact CE2-CB 4.24Å; F1043-V1085 HydrophobicContact CE2-CG1 3.57Å; F1043-V1085 HydrophobicContact CG-CB 4.26Å; F1043-V1085 HydrophobicContact CG-CG1 4.45Å; E1044-V1085 CarbonylContact O-C 3.57Å; E1044-V1085 VanDerWaalsContact O-CA 3.27Å; E1044-V1085 WeakPolarHBondContact O-CA 3.44Å; F1045-V1085 HydrophobicContact CD1-CG1 3.94Å; F1045-V1085 HydrophobicContact CE1-CG1 4.22Å; C1083-V1085 HydrophobicContact CB-CG1 4.1Å
1086	E	91.5	Very high	91.4	Very high	98 Å²	98	35.2 Å²	35.2	46%	0.458	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	125.5	169.6	-173.4	171.5	-149.1	0	0	109.8	F1043 E1044 K1046	F1043-E1086 CarbonylContact C-O 3.45Å; F1043-E1086 WeakPolarHBondContact CA-O 3.4Å; F1043-E1086 VanDerWaalsContact CB-O 3.23Å; F1043-E1086 WeakPolarHBondContact CB-O 3.36Å; E1044-E1086 PolarHBondContact N-O 3.32Å; E1044-E1086 PolarHBondContact O-N 2.85Å; K1046-E1086 HydrophobicContact CD-CB 4.48Å; K1046-E1086 WeakPolarHBondContact CE-OE2 3.3Å; K1046-E1086 HydrophobicContact CG-CB 4.14Å; K1046-E1086 IonicContact NZ-OE2 3.53Å; K1046-E1086 PolarHBondContact NZ-OE2 3.47Å
1087	P	91.3	Very high	90.4	Very high	22 Å²	22	39.6 Å²	39.6	14%	0.143	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	142.9	178.9	29.1	-34.7	0	0	0	111.1	L621 V1092	L621-P1087 HydrophobicContact CD1-CB 3.79Å; L621-P1087 HydrophobicContact CD1-CG 4.44Å; L621-P1087 HydrophobicContact CG-CB 4.02Å; L621-P1087 WeakPolarHBondContact O-CB 3.35Å; P1087-V1092 HydrophobicContact CB-CG2 3.71Å; P1087-V1092 HydrophobicContact CG-CG2 3.72Å
1088	L	91.6	Very high	89.6	Confident	53 Å²	53	39.1 Å²	39.1	28%	0.277	22%	0.22	S	C	.	.			trans	-64.8	138.5	173.2	-64.7	178.5	0	0	0	110.2	I1041 C1042 E1044 D1090 V1091 V1092	I1041-L1088 VanDerWaalsContact O-CD1 3.28Å; I1041-L1088 WeakPolarHBondContact O-CD1 3.4Å; C1042-L1088 PolarHBondContact O-N 3.19Å; E1044-L1088 HydrophobicContact CG-CD2 3.85Å; L1088-D1090 PolarHBondContact O-N 3.08Å; L1088-D1090 VanDerWaalsContact O-N 3.16Å; L1088-V1091 HydrophobicContact CB-CG2 4.08Å; L1088-V1091 WeakPolarHBondContact O-CB 3.46Å; L1088-V1091 PolarHBondContact O-N 3.03Å; L1088-V1092 PolarHBondContact O-N 2.87Å
1089	A	87.2	Confident	88.6	Confident	86 Å²	86	38.6 Å²	38.6	71%	0.711	22%	0.218	S	C	*	.	H	α-helix	trans	-57.2	-35.3	-176	0	0	0	0	0	112.9	V1091 S1093	A1089-V1091 VanDerWaalsContact C-N 3.28Å; A1089-V1091 PolarHBondContact O-N 2.81Å; A1089-S1093 WeakPolarHBondContact O-CB 3.42Å; A1089-S1093 PolarHBondContact O-N 2.66Å
1090	D	88	Confident	87.5	Confident	82 Å²	82	41.2 Å²	41.2	44%	0.439	23%	0.228	S	C	.	.	H	α-helix	trans	-67.7	-27.3	178.2	86.2	11.6	0	0	0	113.1	L1088 R1094	L1088-D1090 PolarHBondContact O-N 3.08Å; L1088-D1090 VanDerWaalsContact O-N 3.16Å; D1090-R1094 VanDerWaalsContact O-CB 3.32Å; D1090-R1094 WeakPolarHBondContact O-CB 3.23Å; D1090-R1094 VanDerWaalsContact O-CG 3.25Å; D1090-R1094 WeakPolarHBondContact O-CG 3.26Å; D1090-R1094 PolarHBondContact O-N 3.26Å; D1090-R1094 PolarHBondContact O-NE 2.67Å; D1090-R1094 VanDerWaalsContact O-NE 3.11Å; D1090-R1094 IonicContact OD1-CZ 3.69Å; D1090-R1094 IonicContact OD1-NE 3.79Å; D1090-R1094 IonicContact OD1-NH2 2.89Å; D1090-R1094 PolarHBondContact OD1-NH2 3.46Å; D1090-R1094 IonicContact OD2-CZ 3.32Å; D1090-R1094 IonicContact OD2-NH2 3.58Å; D1090-R1094 PolarHBondContact OD2-NH2 2.73Å; D1090-R1094 VanDerWaalsContact OD2-NH2 3.13Å
1091	V	86	Confident	86.4	Confident	2 Å²	2	45.2 Å²	45.2	1%	0.012	25%	0.249	C	C	.	.	H	α-helix	trans	-76.8	-47.9	-178.7	174.2	0	0	0	0	107.9	C622 L998 C1042 L1088 A1089 S1093 R1094 Y1095	C622-V1091 HydrophobicContact CB-CG1 4.45Å; L998-V1091 HydrophobicContact CD1-CG1 4.01Å; C1042-V1091 HydrophobicContact CB-CG1 4.34Å; C1042-V1091 HydrophobicContact CB-CG2 3.93Å; L1088-V1091 HydrophobicContact CB-CG2 4.08Å; L1088-V1091 WeakPolarHBondContact O-CB 3.46Å; L1088-V1091 PolarHBondContact O-N 3.03Å; A1089-V1091 VanDerWaalsContact C-N 3.28Å; A1089-V1091 PolarHBondContact O-N 2.81Å; V1091-S1093 VanDerWaalsContact C-N 3.27Å; V1091-S1093 PolarHBondContact O-N 3.4Å; V1091-R1094 PolarHBondContact O-N 2.95Å; V1091-Y1095 HydrophobicContact CG1-CD2 4.05Å; V1091-Y1095 WeakPolarHBondContact O-CD2 3.31Å; V1091-Y1095 PolarHBondContact O-N 2.9Å
1092	V	85.7	Confident	85.6	Confident	49 Å²	49	45.6 Å²	45.6	30%	0.297	25%	0.251	S	S	.	.	H	α-helix	trans	-59.2	-42	175	-176.8	0	0	0	0	110.4	P1087 L1088 G1096	P1087-V1092 HydrophobicContact CB-CG2 3.71Å; P1087-V1092 HydrophobicContact CG-CG2 3.72Å; L1088-V1092 PolarHBondContact O-N 2.87Å; V1092-G1096 VanDerWaalsContact O-CA 3.23Å; V1092-G1096 WeakPolarHBondContact O-CA 3.42Å; V1092-G1096 PolarHBondContact O-N 3.16Å
1093	S	86.1	Confident	84.4	Confident	96 Å²	96	48.6 Å²	48.6	67%	0.671	27%	0.269	S	S	*	.	H	α-helix	trans	-66.6	-39.9	178.6	-174.1	0	0	0	0	113.3	A1089 V1091	A1089-S1093 WeakPolarHBondContact O-CB 3.42Å; A1089-S1093 PolarHBondContact O-N 2.66Å; V1091-S1093 VanDerWaalsContact C-N 3.27Å; V1091-S1093 PolarHBondContact O-N 3.4Å
1094	R	83.7	Confident	83.1	Confident	77 Å²	77	57.4 Å²	57.4	29%	0.291	31%	0.31	S	S	.	.	H	α-helix	trans	-79.1	-40.6	-176.5	-76.5	-178.5	-71.8	173	-4	112.8	D1090 V1091 F1098	D1090-R1094 VanDerWaalsContact O-CB 3.32Å; D1090-R1094 WeakPolarHBondContact O-CB 3.23Å; D1090-R1094 VanDerWaalsContact O-CG 3.25Å; D1090-R1094 WeakPolarHBondContact O-CG 3.26Å; D1090-R1094 PolarHBondContact O-N 3.26Å; D1090-R1094 PolarHBondContact O-NE 2.67Å; D1090-R1094 VanDerWaalsContact O-NE 3.11Å; D1090-R1094 IonicContact OD1-CZ 3.69Å; D1090-R1094 IonicContact OD1-NE 3.79Å; D1090-R1094 IonicContact OD1-NH2 2.89Å; D1090-R1094 PolarHBondContact OD1-NH2 3.46Å; D1090-R1094 IonicContact OD2-CZ 3.32Å; D1090-R1094 IonicContact OD2-NH2 3.58Å; D1090-R1094 PolarHBondContact OD2-NH2 2.73Å; D1090-R1094 VanDerWaalsContact OD2-NH2 3.13Å; V1091-R1094 PolarHBondContact O-N 2.95Å; R1094-F1098 WeakPolarHBondContact O-CD2 3.27Å; R1094-F1098 VanDerWaalsContact O-CE2 3.31Å; R1094-F1098 WeakPolarHBondContact O-CE2 3.37Å
1095	Y	83.9	Confident	82.6	Confident	10 Å²	10	57.4 Å²	57.4	4%	0.039	31%	0.31	C	S	.	.	H	α-helix	trans	-113.3	-18.3	-170.2	-55.7	-86.4	0	0	0	114.6	L995 R996 L998 V1091 N1097 F1098 F1099	L995-Y1095 HydrophobicContact CB-CE1 4.33Å; L995-Y1095 HydrophobicContact CD1-CE1 4.45Å; L995-Y1095 HydrophobicContact CD2-CD1 3.89Å; L995-Y1095 HydrophobicContact CD2-CE1 3.71Å; L995-Y1095 HydrophobicContact CG-CE1 4.39Å; R996-Y1095 PolarHBondContact N-OH 2.96Å; R996-Y1095 PolarHBondContact O-OH 3.12Å; L998-Y1095 HydrophobicContact CB-CE1 4.34Å; L998-Y1095 HydrophobicContact CD1-CD2 3.82Å; L998-Y1095 HydrophobicContact CD1-CE2 3.59Å; L998-Y1095 HydrophobicContact CD1-CG 4.42Å; V1091-Y1095 HydrophobicContact CG1-CD2 4.05Å; V1091-Y1095 WeakPolarHBondContact O-CD2 3.31Å; V1091-Y1095 PolarHBondContact O-N 2.9Å; Y1095-N1097 VanDerWaalsContact C-N 3.29Å; Y1095-N1097 PolarHBondContact O-N 3.26Å; Y1095-F1098 PolarHBondContact O-N 3.37Å; Y1095-F1098 VanDerWaalsContact O-N 3.13Å; Y1095-F1099 VanDerWaalsContact CB-CD2 3.41Å; Y1095-F1099 HydrophobicContact CD1-CE2 4.16Å; Y1095-F1099 HydrophobicContact CG-CD2 4.48Å; Y1095-F1099 AromaticContact CG-CE2 3.95Å; Y1095-F1099 HydrophobicContact CG-CE2 3.95Å; Y1095-F1099 VanDerWaalsContact O-CD2 3.25Å; Y1095-F1099 WeakPolarHBondContact O-CD2 3.41Å; Y1095-F1099 PolarHBondContact O-N 3.44Å
1096	G	80.6	Confident	82.1	Confident	2 Å²	2	60.3 Å²	60.3	2%	0.021	33%	0.326	C	S	.	.	H	α-helix	trans	-59.5	-35.1	-168.4	0	0	0	0	0	114.3	C622 V1092 K1100	C622-G1096 VanDerWaalsContact O-CA 3.27Å; C622-G1096 WeakPolarHBondContact O-CA 3.27Å; V1092-G1096 VanDerWaalsContact O-CA 3.23Å; V1092-G1096 WeakPolarHBondContact O-CA 3.42Å; V1092-G1096 PolarHBondContact O-N 3.16Å; G1096-K1100 VanDerWaalsContact O-CG 3.26Å; G1096-K1100 WeakPolarHBondContact O-CG 3.29Å; G1096-K1100 PolarHBondContact O-N 3.06Å; G1096-K1100 VanDerWaalsContact O-N 3.1Å
1097	N	78.8	Confident	81.6	Confident	110 Å²	110	58.2 Å²	58.2	59%	0.588	32%	0.319	S	S	*	.	H	α-helix	trans	-71.6	-41.4	177.7	-73.4	-16.3	0	0	0	112.5	Y1095 F1099 K1100 L1101	Y1095-N1097 VanDerWaalsContact C-N 3.29Å; Y1095-N1097 PolarHBondContact O-N 3.26Å; N1097-F1099 VanDerWaalsContact C-N 3.35Å; N1097-K1100 PolarHBondContact O-N 3.03Å; N1097-L1101 WeakPolarHBondContact O-CG 3.41Å; N1097-L1101 PolarHBondContact O-N 3.21Å
1098	F	80.6	Confident	81	Confident	37 Å²	37	60.4 Å²	60.4	16%	0.162	33%	0.329	C	S	.	.	H	α-helix	trans	-67.6	-37.9	178.4	-54.5	-62.4	0	0	0	111.6	F986 P987 A988 D993 L995 R1094 Y1095 L1101 F1102	F986-F1098 HydrophobicContact CE1-CB 3.59Å; F986-F1098 HydrophobicContact CE1-CG 4.43Å; F986-F1098 HydrophobicContact CZ-CB 3.63Å; P987-F1098 WeakPolarHBondContact CG-O 3.43Å; P987-F1098 WeakPolarHBondContact O-CD1 3.35Å; A988-F1098 HydrophobicContact CB-CB 4.09Å; A988-F1098 HydrophobicContact CB-CD1 3.64Å; A988-F1098 HydrophobicContact CB-CD2 4Å; A988-F1098 HydrophobicContact CB-CE1 3.99Å; A988-F1098 HydrophobicContact CB-CE2 4.35Å; A988-F1098 HydrophobicContact CB-CG 3.63Å; A988-F1098 HydrophobicContact CB-CZ 4.34Å; D993-F1098 HydrophobicContact CB-CE2 4.09Å; D993-F1098 HydrophobicContact CB-CZ 3.68Å; D993-F1098 WeakPolarHBondContact OD2-CE1 3.46Å; D993-F1098 WeakPolarHBondContact OD2-CZ 3.39Å; L995-F1098 HydrophobicContact CD2-CD2 4.32Å; L995-F1098 HydrophobicContact CD2-CE2 4.05Å; R1094-F1098 WeakPolarHBondContact O-CD2 3.27Å; R1094-F1098 VanDerWaalsContact O-CE2 3.31Å; R1094-F1098 WeakPolarHBondContact O-CE2 3.37Å; Y1095-F1098 PolarHBondContact O-N 3.37Å; Y1095-F1098 VanDerWaalsContact O-N 3.13Å; F1098-L1101 CarbonylContact O-C 3.59Å; F1098-L1101 WeakPolarHBondContact O-CB 3.42Å; F1098-L1101 PolarHBondContact O-N 2.9Å; F1098-F1102 PolarHBondContact O-N 2.83Å
1099	F	77.3	Confident	80.3	Confident	3 Å²	3	60.8 Å²	60.8	1%	0.013	33%	0.333	C	S	.	.	H	α-helix	trans	-69.3	-37	176	-74.9	-56.9	0	0	0	112.8	V618 L619 C622 F986 L998 Y1095 N1097 L1101 F1102 T1103	V618-F1099 HydrophobicContact CG1-CE1 4.1Å; V618-F1099 HydrophobicContact CG1-CE2 4.25Å; V618-F1099 HydrophobicContact CG1-CZ 3.65Å; L619-F1099 HydrophobicContact CD2-CB 4.28Å; L619-F1099 HydrophobicContact CD2-CD1 3.08Å; L619-F1099 HydrophobicContact CD2-CE1 3.58Å; L619-F1099 HydrophobicContact CD2-CG 4.01Å; L619-F1099 HydrophobicContact CG-CD1 4.43Å; C622-F1099 HydrophobicContact CB-CD2 3.21Å; C622-F1099 HydrophobicContact CB-CE2 3.57Å; C622-F1099 HydrophobicContact CB-CG 4.09Å; C622-F1099 VanDerWaalsContact SG-CE2 3.53Å; F986-F1099 HydrophobicContact CD2-CD1 4.39Å; F986-F1099 HydrophobicContact CD2-CE1 4.1Å; F986-F1099 HydrophobicContact CE1-CE1 4.36Å; F986-F1099 HydrophobicContact CE1-CZ 4.49Å; F986-F1099 AromaticContact CE2-CD1 3.15Å; F986-F1099 HydrophobicContact CE2-CD1 3.15Å; F986-F1099 AromaticContact CE2-CE1 3.11Å; F986-F1099 HydrophobicContact CE2-CE1 3.11Å; F986-F1099 HydrophobicContact CE2-CG 4.06Å; F986-F1099 AromaticContact CE2-CZ 3.97Å; F986-F1099 HydrophobicContact CE2-CZ 3.97Å; F986-F1099 AromaticContact CZ-CD1 3.28Å; F986-F1099 HydrophobicContact CZ-CD1 3.28Å; F986-F1099 HydrophobicContact CZ-CD2 4.11Å; F986-F1099 AromaticContact CZ-CE1 3.26Å; F986-F1099 HydrophobicContact CZ-CE1 3.26Å; F986-F1099 HydrophobicContact CZ-CE2 4.09Å; F986-F1099 AromaticContact CZ-CG 3.76Å; F986-F1099 HydrophobicContact CZ-CG 3.76Å; F986-F1099 AromaticContact CZ-CZ 3.68Å; F986-F1099 HydrophobicContact CZ-CZ 3.68Å; L998-F1099 HydrophobicContact CD2-CE2 4.16Å; L998-F1099 HydrophobicContact CD2-CZ 3.95Å; Y1095-F1099 VanDerWaalsContact CB-CD2 3.41Å; Y1095-F1099 HydrophobicContact CD1-CE2 4.16Å; Y1095-F1099 HydrophobicContact CG-CD2 4.48Å; Y1095-F1099 AromaticContact CG-CE2 3.95Å; Y1095-F1099 HydrophobicContact CG-CE2 3.95Å; Y1095-F1099 VanDerWaalsContact O-CD2 3.25Å; Y1095-F1099 WeakPolarHBondContact O-CD2 3.41Å; Y1095-F1099 PolarHBondContact O-N 3.44Å; N1097-F1099 VanDerWaalsContact C-N 3.35Å; F1099-L1101 VanDerWaalsContact C-N 3.33Å; F1099-L1101 PolarHBondContact O-N 3.31Å; F1099-F1102 WeakPolarHBondContact O-CB 3.38Å; F1099-F1102 PolarHBondContact O-N 3.13Å; F1099-F1102 VanDerWaalsContact O-N 3.14Å; F1099-T1103 WeakPolarHBondContact O-CG2 3.25Å; F1099-T1103 PolarHBondContact O-N 3.17Å; F1099-T1103 VanDerWaalsContact O-N 3.13Å; F1099-T1103 PolarHBondContact O-OG1 3.11Å
1100	K	74.1	Confident	79.9	Confident	71 Å²	71	59.1 Å²	59.1	31%	0.309	31%	0.307	S	S	.	.	H	α-helix	trans	-60.1	-43	169.9	-75	170.8	-172.9	171.7	0	112	G1096 N1097 F1102 T1103 Q1104	G1096-K1100 VanDerWaalsContact O-CG 3.26Å; G1096-K1100 WeakPolarHBondContact O-CG 3.29Å; G1096-K1100 PolarHBondContact O-N 3.06Å; G1096-K1100 VanDerWaalsContact O-N 3.1Å; N1097-K1100 PolarHBondContact O-N 3.03Å; K1100-F1102 VanDerWaalsContact C-N 3.3Å; K1100-F1102 PolarHBondContact O-N 3.16Å; K1100-T1103 PolarHBondContact O-N 3.13Å; K1100-T1103 PolarHBondContact O-OG1 3.01Å; K1100-Q1104 WeakPolarHBondContact O-CG 3.32Å; K1100-Q1104 PolarHBondContact O-N 3.18Å; K1100-Q1104 VanDerWaalsContact O-N 3.14Å
1101	L	75.9	Confident	79.3	Confident	90 Å²	90	57.5 Å²	57.5	47%	0.471	30%	0.298	S	S	.	.	H	α-helix	trans	-66	-31.1	174.7	-76.3	162.1	0	0	0	112.6	P987 N1097 F1098 F1099	P987-L1101 HydrophobicContact CB-CB 4.42Å; P987-L1101 HydrophobicContact CG-CB 4.1Å; N1097-L1101 WeakPolarHBondContact O-CG 3.41Å; N1097-L1101 PolarHBondContact O-N 3.21Å; F1098-L1101 CarbonylContact O-C 3.59Å; F1098-L1101 WeakPolarHBondContact O-CB 3.42Å; F1098-L1101 PolarHBondContact O-N 2.9Å; F1099-L1101 VanDerWaalsContact C-N 3.33Å; F1099-L1101 PolarHBondContact O-N 3.31Å
1102	F	78.5	Confident	78.8	Confident	8 Å²	8	61.8 Å²	61.8	4%	0.035	32%	0.32	C	S	.	.	H	α-helix	trans	-67.1	-39.8	177.7	-173.8	-82.9	0	0	0	111.8	L615 L619 F674 K676 F986 P987 F1098 F1099 K1100	L615-F1102 HydrophobicContact CD2-CE1 4.23Å; L615-F1102 HydrophobicContact CD2-CZ 4.06Å; L619-F1102 HydrophobicContact CD1-CD1 3.86Å; L619-F1102 HydrophobicContact CD1-CE1 4.09Å; L619-F1102 HydrophobicContact CD2-CD1 3.94Å; L619-F1102 HydrophobicContact CD2-CG 4.35Å; F674-F1102 WeakPolarHBondContact O-CE1 3.29Å; F674-F1102 WeakPolarHBondContact O-CZ 3.43Å; K676-F1102 HydrophobicContact CB-CE2 4.12Å; K676-F1102 HydrophobicContact CB-CZ 4.13Å; K676-F1102 HydrophobicContact CD-CD2 4Å; K676-F1102 HydrophobicContact CD-CE1 4.4Å; K676-F1102 HydrophobicContact CD-CE2 3.42Å; K676-F1102 VanDerWaalsContact CD-CE2 3.42Å; K676-F1102 HydrophobicContact CD-CZ 3.65Å; K676-F1102 HydrophobicContact CG-CE1 4.47Å; K676-F1102 HydrophobicContact CG-CE2 3.81Å; K676-F1102 HydrophobicContact CG-CZ 3.61Å; K676-F1102 PolarHBondContact NZ-O 2.75Å; F986-F1102 AromaticContact CD2-CD2 3.59Å; F986-F1102 HydrophobicContact CD2-CD2 3.59Å; F986-F1102 HydrophobicContact CD2-CE2 4.14Å; F986-F1102 HydrophobicContact CD2-CG 4.33Å; F986-F1102 HydrophobicContact CE2-CB 4.09Å; F986-F1102 AromaticContact CE2-CD2 3.97Å; F986-F1102 HydrophobicContact CE2-CD2 3.97Å; F986-F1102 HydrophobicContact CE2-CG 4.26Å; P987-F1102 HydrophobicContact CG-CB 3.93Å; P987-F1102 HydrophobicContact CG-CD2 4.36Å; F1098-F1102 PolarHBondContact O-N 2.83Å; F1099-F1102 WeakPolarHBondContact O-CB 3.38Å; F1099-F1102 PolarHBondContact O-N 3.13Å; F1099-F1102 VanDerWaalsContact O-N 3.14Å; K1100-F1102 VanDerWaalsContact C-N 3.3Å; K1100-F1102 PolarHBondContact O-N 3.16Å
1103	T	70.2	Confident	78.2	Confident	64 Å²	64	62.8 Å²	62.8	39%	0.393	32%	0.322	S	S	.	.	H	α-helix	trans	-78.9	-23.8	-179.4	54.3	0	0	0	0	114.6	L619 Q627 F1099 K1100	L619-T1103 HydrophobicContact CB-CG2 4.45Å; L619-T1103 HydrophobicContact CD1-CG2 3.9Å; Q627-T1103 PolarHBondContact NE2-OG1 2.71Å; Q627-T1103 PolarHBondContact OE1-OG1 2.99Å; F1099-T1103 WeakPolarHBondContact O-CG2 3.25Å; F1099-T1103 PolarHBondContact O-N 3.17Å; F1099-T1103 VanDerWaalsContact O-N 3.13Å; F1099-T1103 PolarHBondContact O-OG1 3.11Å; K1100-T1103 PolarHBondContact O-N 3.13Å; K1100-T1103 PolarHBondContact O-OG1 3.01Å
1104	Q	68.7	Low	77.5	Confident	186 Å²	186	59.8 Å²	59.8	87%	0.869	29%	0.29	S	S	*	.			trans	-75.1	0	170.2	-74	175.7	-7.4	0	0	109.3	K1100	K1100-Q1104 WeakPolarHBondContact O-CG 3.32Å; K1100-Q1104 PolarHBondContact O-N 3.18Å; K1100-Q1104 VanDerWaalsContact O-N 3.14Å

Retrieved 1,104 of 1,104 residues in 2769.2 ms (Link to these results)

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