A0A077Z9N7_TRITR Loading...

Guanylate cyclase

AlphaFold DB , UniProt , Accession A0A077Z9N7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 842 aa.

						>A0A077Z9N7_TRITR|A0A077Z9N7
MWNHTEIMKLNPEVKLPNDRIRPIAYVGYSKATHIFTHFLSNFDQQWKDTRGTFDTPGLDIKGKWSSSWNRSTSDILFMAETNVASRLYREKNYLAYITLFNDQWPGLQIASLVNRAGNTISYSELKTAVRSSMDYLSADGNLSTLIYLDSVTSPEAYPLSYFSYVTMSRQSESTGDCVALVEFFAFFLNSIDEELSERFAGYFNLFPLTLSIKVLVEQTVLRQIYCNNDSLHSLVNLIIQQENKQSDLLLSLIAVSVCVAAVALAVISLLSYKRYRVIKAYRSKNWILSEYDIKFWDYMVEGNKYSSMSSSSLSRHSKGNEFNPDQYWKFYLAASGRFRYKEVLMFGSECLNNPLNFQFDTCKRLFTVLRLASPNIAPLVGLVIKNLTLYHVYESPGRGSLHQTLESAPYELNEEIKYILSMDVANGIQFLHKHGIVHGLLDTWNIFLDKNWTAKIANWSHVFICEKEGEYHHLKDCSEMIENVSDEYHQKRLIFRHRSLLLGQVTSFGFEHDLYSFAMILTEIFTREVPFADRSAVIGWKGMLEEVVKDPTLSPICPDIPGPVKDLIVKLTKPNPEITAEGVTITLQLNQPTSKGIVDILLKTMENYMTHLEEKVEERTTELKAVTARMEMLLNSMLPRDVAVRLQNGQKIEPEYYQSVTIYFSDIVSFTTLCSESTALEVVNLLNALYTMFDNNIERFDVYKVETIGDAYMCVSGLPKRNGNRHVEQICRLAIALVEGVNTFIIPHRPDRKLQVRVGVHSGPVMAGVVGVKMPRFCLFGDTVNTASRMESTSLPNKIQASEDTASLLRQFPEFVIEERGEFDVKGKGRMKTFWIVGMQN
					

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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	64.7	Low	60.6	Low	113 Å²	113	96.5 Å²	96.5	56%	0.557	48%	0.476	S	S	*	.				0	153.2	0	-66.8	-165.8	-71.9	0	0	107.7	N3 H4 D19 R20	M1-N3 WeakPolarHBondContact CB-OD1 3.31Å; M1-N3 PolarHBondContact O-N 2.98Å; M1-H4 WeakPolarHBondContact O-CB 3.47Å; M1-H4 PolarHBondContact O-N 3.13Å; M1-H4 VanDerWaalsContact O-N 3.09Å; M1-D19 CarbonylContact C-O 3.41Å; M1-D19 WeakPolarHBondContact CA-O 3.44Å; M1-D19 WeakPolarHBondContact CB-O 3.14Å; M1-R20 HydrophobicContact CG-CG 4.02Å; M1-R20 HydrophobicContact SD-CG 4.35Å
2	W	60.3	Low	60.2	Low	51 Å²	51	97.6 Å²	97.6	19%	0.193	50%	0.495	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-27.7	-179.6	-77.7	102.9	0	0	0	112.8	H4 L16 P17 D19 I21 N93 Y94	W2-H4 VanDerWaalsContact C-N 3.34Å; W2-H4 PolarHBondContact O-N 3.45Å; W2-L16 HydrophobicContact CB-CB 4.33Å; W2-L16 HydrophobicContact CE3-CD2 4.13Å; W2-L16 WeakPolarHBondContact O-CB 3.05Å; W2-L16 WeakPolarHBondContact O-CD1 3.21Å; W2-P17 HydrophobicContact CB-CG 4.08Å; W2-P17 WeakPolarHBondContact CB-O 3.01Å; W2-P17 HydrophobicContact CG-CG 4.07Å; W2-D19 PolarHBondContact N-O 3.2Å; W2-I21 HydrophobicContact CD2-CG1 3.96Å; W2-I21 HydrophobicContact CG-CG1 3.89Å; W2-N93 VanDerWaalsContact NE1-C 3.34Å; W2-N93 PolarHBondContact NE1-O 2.62Å; W2-Y94 WeakPolarHBondContact CZ2-O 3.46Å
3	N	65.7	Low	60.3	Low	48 Å²	48	104.9 Å²	104.9	26%	0.257	53%	0.526	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	20.3	175	68.7	-20.6	0	0	0	114.6	M1 T5 M8 N18	M1-N3 WeakPolarHBondContact CB-OD1 3.31Å; M1-N3 PolarHBondContact O-N 2.98Å; N3-T5 PolarHBondContact O-N 3.06Å; N3-M8 HydrophobicContact CB-SD 4.27Å; N3-N18 PolarHBondContact ND2-OD1 3.46Å
4	H	69.2	Low	59.9	Low	94 Å²	94	102.9 Å²	102.9	44%	0.435	52%	0.522	S	S	.	.			trans	-61.2	136.5	175.8	-166.6	-98.4	0	0	0	109.8	M1 W2 E6 I7 M8	M1-H4 WeakPolarHBondContact O-CB 3.47Å; M1-H4 PolarHBondContact O-N 3.13Å; M1-H4 VanDerWaalsContact O-N 3.09Å; W2-H4 VanDerWaalsContact C-N 3.34Å; W2-H4 PolarHBondContact O-N 3.45Å; H4-E6 PolarHBondContact ND1-N 3.25Å; H4-E6 PolarHBondContact O-N 3.23Å; H4-E6 VanDerWaalsContact O-N 3.09Å; H4-I7 HydrophobicContact CB-CD1 4.22Å; H4-I7 HydrophobicContact CB-CG1 4.25Å; H4-I7 PolarHBondContact O-N 3Å; H4-M8 PolarHBondContact O-N 3.23Å
5	T	67.8	Low	60.2	Low	97 Å²	97	110.2 Å²	110.2	60%	0.595	55%	0.549	S	S	*	.	H	α-helix	trans	-55	-32.5	-174.2	33.9	0	0	0	0	113.1	N3 K9	N3-T5 PolarHBondContact O-N 3.06Å; T5-K9 WeakPolarHBondContact O-CB 3.47Å; T5-K9 VanDerWaalsContact O-CG 3.31Å; T5-K9 WeakPolarHBondContact O-CG 3.35Å; T5-K9 PolarHBondContact O-N 3Å
6	E	61.4	Low	60.3	Low	128 Å²	128	105.8 Å²	105.8	60%	0.598	53%	0.527	S	S	*	.	H	α-helix	trans	-71.7	-37.1	175.6	-61.5	-158	152.4	0	0	113.7	H4 K9 L10	H4-E6 PolarHBondContact ND1-N 3.25Å; H4-E6 PolarHBondContact O-N 3.23Å; H4-E6 VanDerWaalsContact O-N 3.09Å; E6-K9 PolarHBondContact O-N 2.93Å; E6-L10 WeakPolarHBondContact O-CD1 3.24Å; E6-L10 WeakPolarHBondContact O-CG 3.36Å; E6-L10 PolarHBondContact O-N 3.09Å
7	I	56.2	Low	60.4	Low	48 Å²	48	102.6 Å²	102.6	25%	0.246	52%	0.516	C	S	.	.	H	α-helix	trans	-71.3	-38.7	176.8	-56.5	177.9	0	0	0	110	H4 L10 N11 L16 I21	H4-I7 HydrophobicContact CB-CD1 4.22Å; H4-I7 HydrophobicContact CB-CG1 4.25Å; H4-I7 PolarHBondContact O-N 3Å; I7-L10 PolarHBondContact O-N 3.47Å; I7-N11 PolarHBondContact O-N 3.43Å; I7-N11 PolarHBondContact O-ND2 3.44Å; I7-L16 HydrophobicContact CB-CD1 4.4Å; I7-L16 HydrophobicContact CG2-CD1 3.52Å; I7-I21 HydrophobicContact CD1-CD1 3.79Å
8	M	59	Low	61.1	Low	96 Å²	96	104.1 Å²	104.1	47%	0.473	53%	0.526	S	S	.	.	H	α-helix	trans	-67.2	-34	175.5	-68.2	-167.2	74.9	0	0	112.7	N3 H4 L10 N11 P12 L16	N3-M8 HydrophobicContact CB-SD 4.27Å; H4-M8 PolarHBondContact O-N 3.23Å; M8-L10 VanDerWaalsContact C-N 3.3Å; M8-N11 CarbonylContact O-C 3.57Å; M8-N11 PolarHBondContact O-N 3.46Å; M8-P12 WeakPolarHBondContact O-CA 3.36Å; M8-L16 HydrophobicContact CG-CD1 4.5Å
9	K	60.5	Low	61.2	Low	174 Å²	174	102.3 Å²	102.3	76%	0.757	52%	0.518	S	S	*	.	H	α-helix	trans	-64.6	-35.7	172.4	-83.3	178.8	179.2	-177.6	0	112.4	T5 E6	T5-K9 WeakPolarHBondContact O-CB 3.47Å; T5-K9 VanDerWaalsContact O-CG 3.31Å; T5-K9 WeakPolarHBondContact O-CG 3.35Å; T5-K9 PolarHBondContact O-N 3Å; E6-K9 PolarHBondContact O-N 2.93Å
10	L	49.4	Very low	61.4	Low	138 Å²	138	105.2 Å²	105.2	72%	0.723	52%	0.522	S	S	*	.	H	α-helix	trans	-79.3	-23.5	-179.8	-70.1	165.2	0	0	0	113.1	E6 I7 M8	E6-L10 WeakPolarHBondContact O-CD1 3.24Å; E6-L10 WeakPolarHBondContact O-CG 3.36Å; E6-L10 PolarHBondContact O-N 3.09Å; I7-L10 PolarHBondContact O-N 3.47Å; M8-L10 VanDerWaalsContact C-N 3.3Å
11	N	52.2	Low	61.4	Low	75 Å²	75	102.4 Å²	102.4	40%	0.401	51%	0.509	S	S	.	.			trans	-133.5	65.4	-177.3	-59.1	-86.9	0	0	0	111	I7 M8 E13 V14	I7-N11 PolarHBondContact O-N 3.43Å; I7-N11 PolarHBondContact O-ND2 3.44Å; M8-N11 CarbonylContact O-C 3.57Å; M8-N11 PolarHBondContact O-N 3.46Å; N11-E13 PolarHBondContact O-N 3.09Å; N11-E13 VanDerWaalsContact O-N 3.13Å; N11-V14 HydrophobicContact CB-CB 4.13Å; N11-V14 HydrophobicContact CB-CG2 4Å; N11-V14 PolarHBondContact O-N 2.71Å; N11-V14 VanDerWaalsContact O-N 3.17Å
12	P	56	Low	61.2	Low	109 Å²	109	103.2 Å²	103.2	71%	0.708	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-22.6	-170.2	24	-33	0	0	0	113.7	M8	M8-P12 WeakPolarHBondContact O-CA 3.36Å
13	E	61.6	Low	61.1	Low	193 Å²	193	103.1 Å²	103.1	90%	0.902	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.5	-7.6	-177.7	-55.7	-128.7	168.9	0	0	113.5	N11	N11-E13 PolarHBondContact O-N 3.09Å; N11-E13 VanDerWaalsContact O-N 3.13Å
14	V	55.1	Low	60.9	Low	76 Å²	76	101.4 Å²	101.4	46%	0.461	50%	0.502	S	S	.	.			trans	-98.8	117.6	-173.5	-173.8	0	0	0	0	110.2	N11 L16	N11-V14 HydrophobicContact CB-CB 4.13Å; N11-V14 HydrophobicContact CB-CG2 4Å; N11-V14 PolarHBondContact O-N 2.71Å; N11-V14 VanDerWaalsContact O-N 3.17Å; V14-L16 HydrophobicContact CB-CD2 4.42Å; V14-L16 HydrophobicContact CB-CG 4.43Å; V14-L16 HydrophobicContact CG1-CD2 3.67Å; V14-L16 HydrophobicContact CG1-CG 4.08Å; V14-L16 PolarHBondContact O-N 3Å
15	K	63.3	Low	60.6	Low	213 Å²	213	97.5 Å²	97.5	93%	0.926	49%	0.486	S	S	*	.			trans	-70.4	93.3	167.8	-86.6	-173.4	178	177.3	0	109.7
16	L	63.1	Low	60.3	Low	39 Å²	39	94.5 Å²	94.5	20%	0.204	46%	0.464	C	S	.	.			trans	-79.4	139.1	176.9	-64.3	171.1	0	0	0	110.9	W2 I7 M8 V14	W2-L16 HydrophobicContact CB-CB 4.33Å; W2-L16 HydrophobicContact CE3-CD2 4.13Å; W2-L16 WeakPolarHBondContact O-CB 3.05Å; W2-L16 WeakPolarHBondContact O-CD1 3.21Å; I7-L16 HydrophobicContact CB-CD1 4.4Å; I7-L16 HydrophobicContact CG2-CD1 3.52Å; M8-L16 HydrophobicContact CG-CD1 4.5Å; V14-L16 HydrophobicContact CB-CD2 4.42Å; V14-L16 HydrophobicContact CB-CG 4.43Å; V14-L16 HydrophobicContact CG1-CD2 3.67Å; V14-L16 HydrophobicContact CG1-CG 4.08Å; V14-L16 PolarHBondContact O-N 3Å
17	P	62	Low	60.2	Low	52 Å²	52	89.4 Å²	89.4	34%	0.338	44%	0.442	S	S	.	.			trans	-63.2	146.4	178.7	23.9	-30.8	0	0	0	111	W2 D19 N93	W2-P17 HydrophobicContact CB-CG 4.08Å; W2-P17 WeakPolarHBondContact CB-O 3.01Å; W2-P17 HydrophobicContact CG-CG 4.07Å; P17-D19 HydrophobicContact CB-CB 4.49Å; P17-D19 PolarHBondContact O-N 3.14Å; P17-N93 WeakPolarHBondContact CG-OD1 3.17Å
18	N	71.6	Confident	60.2	Low	129 Å²	129	88.1 Å²	88.1	69%	0.69	44%	0.44	S	S	*	.	S	Bend	trans	-80.9	63	172.2	-173.8	18.2	0	0	0	110.4	N3	N3-N18 PolarHBondContact ND2-OD1 3.46Å
19	D	64.1	Low	60	Low	71 Å²	71	92.6 Å²	92.6	38%	0.38	45%	0.453	S	S	.	.	S	Bend	trans	-131.3	158.3	-177.5	-153.5	-8.5	0	0	0	112.3	M1 W2 P17 N93	M1-D19 CarbonylContact C-O 3.41Å; M1-D19 WeakPolarHBondContact CA-O 3.44Å; M1-D19 WeakPolarHBondContact CB-O 3.14Å; W2-D19 PolarHBondContact N-O 3.2Å; P17-D19 HydrophobicContact CB-CB 4.49Å; P17-D19 PolarHBondContact O-N 3.14Å; D19-N93 HydrophobicContact CB-CB 4.17Å; D19-N93 WeakPolarHBondContact CB-ND2 3.47Å; D19-N93 PolarHBondContact OD2-ND2 2.88Å
20	R	64.3	Low	59.6	Low	159 Å²	159	85.1 Å²	85.1	60%	0.6	42%	0.422	S	S	*	.			trans	-71.8	137.5	175.6	-75.1	-173.9	177.6	-168.9	2.4	110.1	M1 R22 D75	M1-R20 HydrophobicContact CG-CG 4.02Å; M1-R20 HydrophobicContact SD-CG 4.35Å; R20-R22 PolarHBondContact O-N 3.08Å; R20-D75 IonicContact NH1-OD2 3.83Å
21	I	61.5	Low	59.9	Low	48 Å²	48	84.3 Å²	84.3	25%	0.246	41%	0.413	C	S	.	.			trans	-75.3	118.7	171.7	-62.3	168.9	0	0	0	106.7	W2 I7 P23 L95	W2-I21 HydrophobicContact CD2-CG1 3.96Å; W2-I21 HydrophobicContact CG-CG1 3.89Å; I7-I21 HydrophobicContact CD1-CD1 3.79Å; I21-P23 WeakPolarHBondContact O-CD 2.89Å; I21-L95 HydrophobicContact CG2-CB 3.45Å; I21-L95 VanDerWaalsContact CG2-CB 3.45Å; I21-L95 HydrophobicContact CG2-CD2 4.41Å
22	R	61.4	Low	60	Low	130 Å²	130	81.6 Å²	81.6	49%	0.491	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	112.6	170.3	-69.4	-176.5	-176.6	174.5	1	109.4	R20 E91 Y94 L95	R20-R22 PolarHBondContact O-N 3.08Å; R22-E91 IonicContact NH1-OE2 2.81Å; R22-Y94 WeakPolarHBondContact O-CA 2.97Å; R22-L95 PolarHBondContact O-N 2.94Å
23	P	58.2	Low	60.2	Low	48 Å²	48	76.8 Å²	76.8	31%	0.312	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	138.5	174.6	29.8	-35.5	0	0	0	111.1	I21 D75 I76 L77 L95	I21-P23 WeakPolarHBondContact O-CD 2.89Å; P23-D75 WeakPolarHBondContact CD-O 3.43Å; P23-I76 HydrophobicContact CG-CB 4.28Å; P23-I76 HydrophobicContact CG-CD1 3.98Å; P23-I76 HydrophobicContact CG-CG1 3.73Å; P23-I76 HydrophobicContact CG-CG2 4.24Å; P23-I76 WeakPolarHBondContact O-CA 3.15Å; P23-I76 WeakPolarHBondContact O-CG2 3.38Å; P23-L77 PolarHBondContact O-N 3.3Å; P23-L95 WeakPolarHBondContact CA-O 3.36Å
24	I	59.9	Low	60.1	Low	13 Å²	13	69.5 Å²	69.5	7%	0.067	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	128.4	176.2	-57.7	-174.5	0	0	0	109.5	L77 M79 L88 Y94 L95 A96	I24-L77 CarbonylContact C-O 3.59Å; I24-L77 WeakPolarHBondContact CA-O 3.48Å; I24-L77 HydrophobicContact CG1-CB 4.15Å; I24-M79 HydrophobicContact CD1-SD 3.98Å; I24-M79 HydrophobicContact CG2-CB 4.32Å; I24-M79 HydrophobicContact CG2-CG 3.74Å; I24-M79 HydrophobicContact CG2-SD 3.39Å; I24-M79 WeakPolarHBondContact CG2-SD 3.34Å; I24-L88 HydrophobicContact CD1-CD2 3.71Å; I24-Y94 HydrophobicContact CD1-CD2 3.61Å; I24-Y94 HydrophobicContact CD1-CE2 4.39Å; I24-Y94 HydrophobicContact CD1-CG 3.7Å; I24-Y94 HydrophobicContact CG1-CD2 4.45Å; I24-L95 PolarHBondContact N-O 3.35Å; I24-A96 HydrophobicContact CB-CB 4.15Å
25	A	63.7	Low	60.2	Low	11 Å²	11	69.6 Å²	69.6	9%	0.091	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	127.5	175.8	0	0	0	0	0	111.5	I76 L77 F78 M79	A25-I76 HydrophobicContact CB-CG2 4.38Å; A25-L77 PolarHBondContact N-O 3.35Å; A25-F78 HydrophobicContact CB-CD1 3.97Å; A25-F78 HydrophobicContact CB-CE1 4.07Å; A25-M79 PolarHBondContact O-N 3.1Å; A25-M79 VanDerWaalsContact O-N 3.1Å
26	Y	61.6	Low	59.8	Low	34 Å²	34	65 Å²	65	13%	0.133	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	131.9	174.1	-179.4	-106.1	0	0	0	110.8	T33 E81 V84 Y97	Y26-T33 PolarHBondContact O-OG1 3.2Å; Y26-E81 WeakPolarHBondContact OH-CG 3.36Å; Y26-E81 PolarHBondContact OH-OE1 3.43Å; Y26-V84 HydrophobicContact CD2-CG2 4.43Å; Y26-V84 HydrophobicContact CE2-CG2 4.38Å; Y26-Y97 PolarHBondContact N-OH 2.8Å
27	V	59.9	Low	59.8	Low	22 Å²	22	63.7 Å²	63.7	13%	0.133	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	100.1	176.4	-171.6	0	0	0	0	108.2	F54 P57 F78 M79 A80 E81	V27-F54 HydrophobicContact CG1-CZ 4.23Å; V27-F54 HydrophobicContact CG2-CE1 4.42Å; V27-F54 HydrophobicContact CG2-CZ 3.77Å; V27-P57 HydrophobicContact CG1-CG 4.11Å; V27-F78 HydrophobicContact CG2-CB 4.23Å; V27-F78 HydrophobicContact CG2-CD1 3.98Å; V27-M79 WeakPolarHBondContact CB-O 3.37Å; V27-M79 PolarHBondContact N-O 3.49Å; V27-A80 WeakPolarHBondContact O-CA 3.16Å; V27-E81 PolarHBondContact O-N 3.35Å; V27-E81 VanDerWaalsContact O-N 3.16Å
28	G	56.5	Low	59.8	Low	20 Å²	20	65.3 Å²	65.3	21%	0.206	31%	0.31	C	S	.	.	S	Bend	trans	-144.2	172.4	178.6	0	0	0	0	0	112	S30	G28-S30 PolarHBondContact O-N 3.03Å
29	Y	53.5	Low	59.1	Low	191 Å²	191	63.9 Å²	63.9	75%	0.749	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-13.8	-176.8	-65.2	-77.3	0	0	0	113.9	K31 E81	Y29-K31 PolarHBondContact O-N 3.38Å; Y29-K31 VanDerWaalsContact O-N 3.11Å; Y29-E81 VanDerWaalsContact CD2-OE2 3.23Å; Y29-E81 WeakPolarHBondContact CD2-OE2 3.45Å
30	S	53	Low	58.6	Low	16 Å²	16	62.3 Å²	62.3	11%	0.112	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-10.1	-177.4	64.4	0	0	0	0	114.9	G28 A32	G28-S30 PolarHBondContact O-N 3.03Å; S30-A32 PolarHBondContact O-N 3.38Å
31	K	56.2	Low	58.5	Low	121 Å²	121	54.9 Å²	54.9	53%	0.526	26%	0.262	S	S	.	.			trans	53.2	11.4	-172.8	-61.1	-175.5	178.3	-178	0	114.3	Y29 T33 H34 I35	Y29-K31 PolarHBondContact O-N 3.38Å; Y29-K31 VanDerWaalsContact O-N 3.11Å; K31-T33 VanDerWaalsContact C-N 3.31Å; K31-T33 PolarHBondContact O-N 2.97Å; K31-H34 HydrophobicContact CB-CB 4.37Å; K31-H34 WeakPolarHBondContact O-CA 3.47Å; K31-H34 VanDerWaalsContact O-CB 3.31Å; K31-H34 WeakPolarHBondContact O-CB 3.4Å; K31-H34 PolarHBondContact O-N 3.39Å; K31-I35 HydrophobicContact CB-CD1 4.3Å; K31-I35 HydrophobicContact CB-CG1 4.48Å; K31-I35 WeakPolarHBondContact O-CG1 3.28Å; K31-I35 PolarHBondContact O-N 2.79Å
32	A	52.9	Low	58.5	Low	18 Å²	18	57.6 Å²	57.6	15%	0.149	28%	0.276	C	S	.	.	H	α-helix	trans	-59.2	-41.8	-173.4	0	0	0	0	0	112.4	S30 I35 F36	S30-A32 PolarHBondContact O-N 3.38Å; A32-I35 PolarHBondContact O-N 3.11Å; A32-F36 VanDerWaalsContact O-CB 3.28Å; A32-F36 WeakPolarHBondContact O-CB 3.47Å; A32-F36 PolarHBondContact O-N 3.1Å
33	T	60	Low	58	Low	9 Å²	9	57.7 Å²	57.7	6%	0.055	28%	0.281	C	S	.	.	H	α-helix	trans	-63.1	-40.3	174.9	-43	0	0	0	0	112.6	Y26 K31 T37 F54 Y97	Y26-T33 PolarHBondContact O-OG1 3.2Å; K31-T33 VanDerWaalsContact C-N 3.31Å; K31-T33 PolarHBondContact O-N 2.97Å; T33-T37 WeakPolarHBondContact O-CB 3.47Å; T33-T37 WeakPolarHBondContact O-CG2 3.33Å; T33-T37 PolarHBondContact O-N 3.27Å; T33-T37 PolarHBondContact O-OG1 3.17Å; T33-F54 HydrophobicContact CG2-CB 4.02Å; T33-F54 HydrophobicContact CG2-CD1 3.48Å; T33-F54 VanDerWaalsContact CG2-CD1 3.48Å; T33-F54 HydrophobicContact CG2-CE1 4.11Å; T33-F54 HydrophobicContact CG2-CG 3.77Å; T33-Y97 WeakPolarHBondContact CB-OH 3.43Å; T33-Y97 WeakPolarHBondContact CG2-OH 3.41Å; T33-Y97 PolarHBondContact OG1-OH 2.74Å
34	H	61	Low	57.7	Low	39 Å²	39	58.8 Å²	58.8	18%	0.181	28%	0.284	C	S	.	.	H	α-helix	trans	-63.3	-53.6	176.2	171.8	-107.7	0	0	0	110.1	K31 F36 T37 H38 F54 D55	K31-H34 HydrophobicContact CB-CB 4.37Å; K31-H34 WeakPolarHBondContact O-CA 3.47Å; K31-H34 VanDerWaalsContact O-CB 3.31Å; K31-H34 WeakPolarHBondContact O-CB 3.4Å; K31-H34 PolarHBondContact O-N 3.39Å; H34-F36 VanDerWaalsContact C-N 3.32Å; H34-F36 PolarHBondContact O-N 3.32Å; H34-T37 PolarHBondContact O-N 3.28Å; H34-T37 PolarHBondContact O-OG1 3.47Å; H34-H38 WeakPolarHBondContact O-CB 3.46Å; H34-H38 PolarHBondContact O-N 3.36Å; H34-F54 WeakPolarHBondContact CA-O 3.17Å; H34-F54 WeakPolarHBondContact CB-O 3.48Å; H34-F54 PolarHBondContact CD2-O 2.74Å; H34-D55 IonicContact CD2-OD1 3.86Å; H34-D55 PolarHBondContact CD2-OD1 3.02Å; H34-D55 IonicContact CE1-OD1 3.93Å; H34-D55 IonicContact CG-OD1 3.08Å; H34-D55 IonicContact NE2-OD1 2.98Å; H34-D55 PolarHBondContact NE2-OD1 2.96Å; H34-D55 IonicContact NE2-OD2 3.95Å
35	I	56.3	Low	58	Low	79 Å²	79	63.5 Å²	63.5	41%	0.405	31%	0.306	S	S	.	.	H	α-helix	trans	-58.9	-45.7	-178.1	-65.5	167.2	0	0	0	110.6	K31 A32 H38 F39 F204	K31-I35 HydrophobicContact CB-CD1 4.3Å; K31-I35 HydrophobicContact CB-CG1 4.48Å; K31-I35 WeakPolarHBondContact O-CG1 3.28Å; K31-I35 PolarHBondContact O-N 2.79Å; A32-I35 PolarHBondContact O-N 3.11Å; I35-H38 PolarHBondContact O-N 3.17Å; I35-F39 WeakPolarHBondContact O-CB 3.34Å; I35-F39 PolarHBondContact O-N 3.5Å; I35-F204 HydrophobicContact CD1-CD1 3.71Å; I35-F204 HydrophobicContact CD1-CE1 3.96Å
36	F	54.7	Low	58.1	Low	115 Å²	115	69.8 Å²	69.8	50%	0.504	33%	0.333	S	S	.	.	H	α-helix	trans	-63.6	-47.2	-179.7	-178.5	-105.3	0	0	0	112.7	A32 H34 F39 L40	A32-F36 VanDerWaalsContact O-CB 3.28Å; A32-F36 WeakPolarHBondContact O-CB 3.47Å; A32-F36 PolarHBondContact O-N 3.1Å; H34-F36 VanDerWaalsContact C-N 3.32Å; H34-F36 PolarHBondContact O-N 3.32Å; F36-F39 PolarHBondContact O-N 2.71Å; F36-L40 HydrophobicContact CD1-CD1 3.92Å; F36-L40 HydrophobicContact CE1-CD1 3.37Å; F36-L40 HydrophobicContact CE1-CG 4.31Å; F36-L40 HydrophobicContact CE2-CD1 4.43Å; F36-L40 HydrophobicContact CZ-CD1 3.67Å; F36-L40 HydrophobicContact CZ-CG 4.3Å; F36-L40 WeakPolarHBondContact O-CG 3.31Å; F36-L40 PolarHBondContact O-N 2.95Å
37	T	62.6	Low	58.3	Low	13 Å²	13	72.1 Å²	72.1	8%	0.08	34%	0.342	C	S	.	.	H	α-helix	trans	-74.2	-29.3	-180	55.1	0	0	0	0	112.8	T33 H34 S41 W47 F54	T33-T37 WeakPolarHBondContact O-CB 3.47Å; T33-T37 WeakPolarHBondContact O-CG2 3.33Å; T33-T37 PolarHBondContact O-N 3.27Å; T33-T37 PolarHBondContact O-OG1 3.17Å; H34-T37 PolarHBondContact O-N 3.28Å; H34-T37 PolarHBondContact O-OG1 3.47Å; T37-S41 VanDerWaalsContact O-CB 3.28Å; T37-S41 WeakPolarHBondContact O-CB 3.4Å; T37-S41 PolarHBondContact O-N 3.36Å; T37-S41 PolarHBondContact O-OG 2.6Å; T37-W47 HydrophobicContact CG2-CZ2 4.49Å; T37-F54 HydrophobicContact CG2-CB 4.3Å; T37-F54 WeakPolarHBondContact OG1-CB 3.3Å; T37-F54 PolarHBondContact OG1-N 3.5Å
38	H	62.5	Low	58.7	Low	86 Å²	86	75.8 Å²	75.8	40%	0.398	36%	0.356	S	S	.	.	H	α-helix	trans	-64	-44.7	169.8	-174.3	-90.4	0	0	0	111.6	H34 I35 S41 N42 T53	H34-H38 WeakPolarHBondContact O-CB 3.46Å; H34-H38 PolarHBondContact O-N 3.36Å; I35-H38 PolarHBondContact O-N 3.17Å; H38-S41 PolarHBondContact O-N 3.06Å; H38-N42 PolarHBondContact CE1-ND2 3.27Å; H38-N42 PolarHBondContact ND1-ND2 3.33Å; H38-N42 PolarHBondContact NE2-ND2 2.84Å; H38-N42 PolarHBondContact O-N 3.17Å; H38-N42 VanDerWaalsContact O-N 3.12Å; H38-N42 PolarHBondContact O-ND2 3.32Å; H38-T53 HydrophobicContact CB-CG2 4.15Å
39	F	57.4	Low	59.1	Low	98 Å²	98	80.1 Å²	80.1	43%	0.43	37%	0.374	S	S	.	.	H	α-helix	trans	-60.8	-51.8	173.4	178.8	-96.5	0	0	0	111.6	I35 F36 S41 N42 F43	I35-F39 WeakPolarHBondContact O-CB 3.34Å; I35-F39 PolarHBondContact O-N 3.5Å; F36-F39 PolarHBondContact O-N 2.71Å; F39-S41 VanDerWaalsContact C-N 3.27Å; F39-S41 PolarHBondContact O-N 2.9Å; F39-N42 PolarHBondContact O-N 3.38Å; F39-F43 HydrophobicContact CE1-CB 4.48Å; F39-F43 HydrophobicContact CE1-CG 4.5Å; F39-F43 HydrophobicContact CE2-CD2 4.36Å; F39-F43 AromaticContact CZ-CD2 3.96Å; F39-F43 HydrophobicContact CZ-CD2 3.96Å; F39-F43 HydrophobicContact CZ-CE2 4.43Å; F39-F43 HydrophobicContact CZ-CG 4.35Å; F39-F43 WeakPolarHBondContact O-CB 3.43Å; F39-F43 PolarHBondContact O-N 3.04Å
40	L	52.6	Low	59.4	Low	39 Å²	39	74.6 Å²	74.6	20%	0.204	36%	0.36	C	S	.	.	H	α-helix	trans	-58.1	-38.7	178.3	-72.7	176.4	0	0	0	112.7	F36 N42 F43 D44 W47	F36-L40 HydrophobicContact CD1-CD1 3.92Å; F36-L40 HydrophobicContact CE1-CD1 3.37Å; F36-L40 HydrophobicContact CE1-CG 4.31Å; F36-L40 HydrophobicContact CE2-CD1 4.43Å; F36-L40 HydrophobicContact CZ-CD1 3.67Å; F36-L40 HydrophobicContact CZ-CG 4.3Å; F36-L40 WeakPolarHBondContact O-CG 3.31Å; F36-L40 PolarHBondContact O-N 2.95Å; L40-N42 VanDerWaalsContact C-N 3.3Å; L40-N42 PolarHBondContact O-N 3.13Å; L40-F43 PolarHBondContact O-N 3.26Å; L40-D44 PolarHBondContact O-N 3.04Å; L40-W47 HydrophobicContact CB-CD2 4.09Å; L40-W47 HydrophobicContact CB-CG 3.94Å; L40-W47 HydrophobicContact CD1-CD2 4.08Å; L40-W47 HydrophobicContact CD1-CE3 4.34Å; L40-W47 HydrophobicContact CD1-CH2 3.94Å; L40-W47 HydrophobicContact CD1-CZ2 3.65Å; L40-W47 HydrophobicContact CD1-CZ3 4.27Å
41	S	63.9	Low	59.9	Low	3 Å²	3	78.2 Å²	78.2	2%	0.021	37%	0.372	C	S	.	.	H	α-helix	trans	-72	-20.8	178.1	-61.4	0	0	0	0	114	T37 H38 F39 K48 G52 T53	T37-S41 VanDerWaalsContact O-CB 3.28Å; T37-S41 WeakPolarHBondContact O-CB 3.4Å; T37-S41 PolarHBondContact O-N 3.36Å; T37-S41 PolarHBondContact O-OG 2.6Å; H38-S41 PolarHBondContact O-N 3.06Å; F39-S41 VanDerWaalsContact C-N 3.27Å; F39-S41 PolarHBondContact O-N 2.9Å; S41-K48 WeakPolarHBondContact O-CB 3.35Å; S41-K48 VanDerWaalsContact O-CD 3.3Å; S41-K48 WeakPolarHBondContact O-CD 3.24Å; S41-K48 WeakPolarHBondContact O-CG 3.5Å; S41-G52 PolarHBondContact OG-O 2.83Å; S41-G52 VanDerWaalsContact OG-O 3.1Å; S41-T53 VanDerWaalsContact CB-CG2 3.44Å; S41-T53 WeakPolarHBondContact OG-CG2 3.42Å
42	N	61.2	Low	60.5	Low	104 Å²	104	73.4 Å²	73.4	56%	0.556	36%	0.356	S	S	*	.	H	α-helix	trans	-88	-21.5	172.1	-75.6	-57.8	0	0	0	112.4	H38 F39 L40	H38-N42 PolarHBondContact CE1-ND2 3.27Å; H38-N42 PolarHBondContact ND1-ND2 3.33Å; H38-N42 PolarHBondContact NE2-ND2 2.84Å; H38-N42 PolarHBondContact O-N 3.17Å; H38-N42 VanDerWaalsContact O-N 3.12Å; H38-N42 PolarHBondContact O-ND2 3.32Å; F39-N42 PolarHBondContact O-N 3.38Å; L40-N42 VanDerWaalsContact C-N 3.3Å; L40-N42 PolarHBondContact O-N 3.13Å
43	F	49.9	Very low	61.1	Low	133 Å²	133	74.4 Å²	74.4	58%	0.583	36%	0.361	S	S	*	.	H	α-helix	trans	-98.7	-30.8	-174.8	-148.4	-91.8	0	0	0	113.6	F39 L40 T167	F39-F43 HydrophobicContact CE1-CB 4.48Å; F39-F43 HydrophobicContact CE1-CG 4.5Å; F39-F43 HydrophobicContact CE2-CD2 4.36Å; F39-F43 AromaticContact CZ-CD2 3.96Å; F39-F43 HydrophobicContact CZ-CD2 3.96Å; F39-F43 HydrophobicContact CZ-CE2 4.43Å; F39-F43 HydrophobicContact CZ-CG 4.35Å; F39-F43 WeakPolarHBondContact O-CB 3.43Å; F39-F43 PolarHBondContact O-N 3.04Å; L40-F43 PolarHBondContact O-N 3.26Å; F43-T167 WeakPolarHBondContact CE2-OG1 2.88Å; F43-T167 HydrophobicContact CZ-CG2 4.12Å
44	D	53.2	Low	61.3	Low	70 Å²	70	74.9 Å²	74.9	37%	0.374	36%	0.362	S	S	.	.			trans	-126.4	110.9	-179.8	-177.2	-22.5	0	0	0	109.7	L40 Q46 W47 K48	L40-D44 PolarHBondContact O-N 3.04Å; D44-Q46 VanDerWaalsContact C-N 3.3Å; D44-Q46 PolarHBondContact O-N 3.21Å; D44-Q46 WeakPolarHBondContact OD1-CA 3.33Å; D44-Q46 VanDerWaalsContact OD1-CB 3.24Å; D44-Q46 WeakPolarHBondContact OD1-CB 3.39Å; D44-Q46 PolarHBondContact OD1-N 2.64Å; D44-W47 HydrophobicContact CB-CB 3.81Å; D44-W47 WeakPolarHBondContact O-CB 3.37Å; D44-W47 PolarHBondContact O-N 3.12Å; D44-W47 PolarHBondContact OD1-N 3.43Å; D44-K48 PolarHBondContact O-N 3.18Å
45	Q	65.3	Low	61.2	Low	113 Å²	113	76.5 Å²	76.5	53%	0.528	37%	0.372	S	S	.	.	H	α-helix	trans	-64.2	-35.6	179.8	-170.5	61.9	39.5	0	0	111.8	W47 K48 D49	Q45-W47 VanDerWaalsContact C-N 3.33Å; Q45-W47 PolarHBondContact O-N 2.79Å; Q45-K48 WeakPolarHBondContact O-CB 3.35Å; Q45-K48 PolarHBondContact O-N 3.15Å; Q45-D49 PolarHBondContact NE2-OD1 2.92Å; Q45-D49 PolarHBondContact NE2-OD2 3.28Å; Q45-D49 WeakPolarHBondContact O-CB 3.46Å; Q45-D49 PolarHBondContact O-N 2.98Å
46	Q	66.7	Low	61.1	Low	143 Å²	143	77.2 Å²	77.2	67%	0.668	38%	0.38	S	S	*	.	H	α-helix	trans	-66.4	-38.6	176.1	-171.4	-179.2	1.3	0	0	110.6	D44 T50	D44-Q46 VanDerWaalsContact C-N 3.3Å; D44-Q46 PolarHBondContact O-N 3.21Å; D44-Q46 WeakPolarHBondContact OD1-CA 3.33Å; D44-Q46 VanDerWaalsContact OD1-CB 3.24Å; D44-Q46 WeakPolarHBondContact OD1-CB 3.39Å; D44-Q46 PolarHBondContact OD1-N 2.64Å; Q46-T50 HydrophobicContact CG-CG2 4.42Å; Q46-T50 WeakPolarHBondContact O-CB 3.48Å; Q46-T50 VanDerWaalsContact O-CG2 3.31Å; Q46-T50 WeakPolarHBondContact O-CG2 3.48Å; Q46-T50 PolarHBondContact O-N 3.06Å; Q46-T50 PolarHBondContact O-OG1 3.39Å
47	W	64.8	Low	61.1	Low	82 Å²	82	73.1 Å²	73.1	31%	0.311	37%	0.366	S	S	.	.	H	α-helix	trans	-63.4	-46.9	171.8	-176	-79.5	0	0	0	111.6	T37 L40 D44 Q45 D49 T50 R51 G52	T37-W47 HydrophobicContact CG2-CZ2 4.49Å; L40-W47 HydrophobicContact CB-CD2 4.09Å; L40-W47 HydrophobicContact CB-CG 3.94Å; L40-W47 HydrophobicContact CD1-CD2 4.08Å; L40-W47 HydrophobicContact CD1-CE3 4.34Å; L40-W47 HydrophobicContact CD1-CH2 3.94Å; L40-W47 HydrophobicContact CD1-CZ2 3.65Å; L40-W47 HydrophobicContact CD1-CZ3 4.27Å; D44-W47 HydrophobicContact CB-CB 3.81Å; D44-W47 WeakPolarHBondContact O-CB 3.37Å; D44-W47 PolarHBondContact O-N 3.12Å; D44-W47 PolarHBondContact OD1-N 3.43Å; Q45-W47 VanDerWaalsContact C-N 3.33Å; Q45-W47 PolarHBondContact O-N 2.79Å; W47-D49 VanDerWaalsContact C-N 3.29Å; W47-D49 PolarHBondContact O-N 3.35Å; W47-T50 PolarHBondContact O-N 3.35Å; W47-R51 HydrophobicContact CD2-CB 4.07Å; W47-R51 HydrophobicContact CD2-CG 4.26Å; W47-R51 HydrophobicContact CE3-CG 4.36Å; W47-R51 HydrophobicContact CG-CB 4.34Å; W47-R51 HydrophobicContact CZ2-CB 4.15Å; W47-R51 HydrophobicContact CZ2-CG 4.48Å; W47-R51 WeakPolarHBondContact O-CA 3.11Å; W47-R51 WeakPolarHBondContact O-CB 3.38Å; W47-R51 PolarHBondContact O-N 3.49Å; W47-G52 PolarHBondContact NE1-O 2.93Å; W47-G52 PolarHBondContact O-N 3.01Å
48	K	68.8	Low	60.7	Low	99 Å²	99	74.6 Å²	74.6	43%	0.43	38%	0.383	S	S	.	.	H	α-helix	trans	-53.9	-47.6	177.1	-168.3	179.9	-166.6	163.3	0	111.6	S41 D44 Q45 G52	S41-K48 WeakPolarHBondContact O-CB 3.35Å; S41-K48 VanDerWaalsContact O-CD 3.3Å; S41-K48 WeakPolarHBondContact O-CD 3.24Å; S41-K48 WeakPolarHBondContact O-CG 3.5Å; D44-K48 PolarHBondContact O-N 3.18Å; Q45-K48 WeakPolarHBondContact O-CB 3.35Å; Q45-K48 PolarHBondContact O-N 3.15Å; K48-G52 WeakPolarHBondContact O-CA 3.45Å; K48-G52 PolarHBondContact O-N 3.4Å
49	D	65.1	Low	60.2	Low	111 Å²	111	75.5 Å²	75.5	59%	0.594	39%	0.391	S	S	*	.	H	α-helix	trans	-75.6	-31.7	-174.4	-64.3	-21.1	0	0	0	112.6	Q45 W47	Q45-D49 PolarHBondContact NE2-OD1 2.92Å; Q45-D49 PolarHBondContact NE2-OD2 3.28Å; Q45-D49 WeakPolarHBondContact O-CB 3.46Å; Q45-D49 PolarHBondContact O-N 2.98Å; W47-D49 VanDerWaalsContact C-N 3.29Å; W47-D49 PolarHBondContact O-N 3.35Å
50	T	59.8	Low	60.1	Low	75 Å²	75	74.5 Å²	74.5	46%	0.46	39%	0.39	S	S	.	.	H	α-helix	trans	-98.9	-27.8	-175.4	61	0	0	0	0	114.8	Q46 W47	Q46-T50 HydrophobicContact CG-CG2 4.42Å; Q46-T50 WeakPolarHBondContact O-CB 3.48Å; Q46-T50 VanDerWaalsContact O-CG2 3.31Å; Q46-T50 WeakPolarHBondContact O-CG2 3.48Å; Q46-T50 PolarHBondContact O-N 3.06Å; Q46-T50 PolarHBondContact O-OG1 3.39Å; W47-T50 PolarHBondContact O-N 3.35Å
51	R	63.6	Low	59.9	Low	92 Å²	92	81.4 Å²	81.4	35%	0.347	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-130	-27.1	-171.5	-57.6	-62.5	-178.7	160.9	2	113.9	W47 W69 T73	W47-R51 HydrophobicContact CD2-CB 4.07Å; W47-R51 HydrophobicContact CD2-CG 4.26Å; W47-R51 HydrophobicContact CE3-CG 4.36Å; W47-R51 HydrophobicContact CG-CB 4.34Å; W47-R51 HydrophobicContact CZ2-CB 4.15Å; W47-R51 HydrophobicContact CZ2-CG 4.48Å; W47-R51 WeakPolarHBondContact O-CA 3.11Å; W47-R51 WeakPolarHBondContact O-CB 3.38Å; W47-R51 PolarHBondContact O-N 3.49Å; R51-W69 PolarHBondContact O-NE1 3.05Å; R51-T73 VanDerWaalsContact NH1-CB 3.26Å; R51-T73 PolarHBondContact NH1-OG1 3.41Å
52	G	69.4	Low	59.4	Low	20 Å²	20	90.3 Å²	90.3	21%	0.206	46%	0.463	C	S	.	.			trans	60.9	-167.8	175.5	0	0	0	0	0	116.1	S41 W47 K48	S41-G52 PolarHBondContact OG-O 2.83Å; S41-G52 VanDerWaalsContact OG-O 3.1Å; W47-G52 PolarHBondContact NE1-O 2.93Å; W47-G52 PolarHBondContact O-N 3.01Å; K48-G52 WeakPolarHBondContact O-CA 3.45Å; K48-G52 PolarHBondContact O-N 3.4Å
53	T	65.1	Low	58.8	Low	40 Å²	40	87.8 Å²	87.8	25%	0.245	46%	0.462	C	S	.	.			trans	-100.6	141.5	-178.2	57	0	0	0	0	112	H38 S41 D55	H38-T53 HydrophobicContact CB-CG2 4.15Å; S41-T53 VanDerWaalsContact CB-CG2 3.44Å; S41-T53 WeakPolarHBondContact OG-CG2 3.42Å; T53-D55 PolarHBondContact O-N 2.97Å
54	F	63.5	Low	58.9	Low	18 Å²	18	88.5 Å²	88.5	8%	0.079	47%	0.465	C	S	.	.			trans	-91.6	85.8	178.9	-177.6	-100.9	0	0	0	111	V27 T33 H34 T37 P57 F78	V27-F54 HydrophobicContact CG1-CZ 4.23Å; V27-F54 HydrophobicContact CG2-CE1 4.42Å; V27-F54 HydrophobicContact CG2-CZ 3.77Å; T33-F54 HydrophobicContact CG2-CB 4.02Å; T33-F54 HydrophobicContact CG2-CD1 3.48Å; T33-F54 VanDerWaalsContact CG2-CD1 3.48Å; T33-F54 HydrophobicContact CG2-CE1 4.11Å; T33-F54 HydrophobicContact CG2-CG 3.77Å; H34-F54 WeakPolarHBondContact CA-O 3.17Å; H34-F54 WeakPolarHBondContact CB-O 3.48Å; H34-F54 PolarHBondContact CD2-O 2.74Å; T37-F54 HydrophobicContact CG2-CB 4.3Å; T37-F54 WeakPolarHBondContact OG1-CB 3.3Å; T37-F54 PolarHBondContact OG1-N 3.5Å; F54-P57 HydrophobicContact CE2-CG 4.32Å; F54-P57 HydrophobicContact CZ-CG 3.82Å; F54-F78 AromaticContact CD2-CE1 3.95Å; F54-F78 HydrophobicContact CD2-CE1 3.95Å; F54-F78 AromaticContact CE2-CD1 3.92Å; F54-F78 HydrophobicContact CE2-CD1 3.92Å; F54-F78 AromaticContact CE2-CE1 3.41Å; F54-F78 HydrophobicContact CE2-CE1 3.41Å; F54-F78 VanDerWaalsContact CE2-CE1 3.41Å; F54-F78 HydrophobicContact CE2-CZ 4.36Å; F54-F78 HydrophobicContact CZ-CD1 4.4Å; F54-F78 HydrophobicContact CZ-CE1 4.3Å
55	D	59.1	Low	58.9	Low	73 Å²	73	90.4 Å²	90.4	39%	0.39	47%	0.467	S	S	.	.			trans	-81.9	141	172.4	-90.8	-53.1	0	0	0	112	H34 T53	H34-D55 IonicContact CD2-OD1 3.86Å; H34-D55 PolarHBondContact CD2-OD1 3.02Å; H34-D55 IonicContact CE1-OD1 3.93Å; H34-D55 IonicContact CG-OD1 3.08Å; H34-D55 IonicContact NE2-OD1 2.98Å; H34-D55 PolarHBondContact NE2-OD1 2.96Å; H34-D55 IonicContact NE2-OD2 3.95Å; T53-D55 PolarHBondContact O-N 2.97Å
56	T	55	Low	58.4	Low	94 Å²	94	88.4 Å²	88.4	58%	0.577	47%	0.466	S	S	*	.			trans	-42.3	117.1	-173.3	37.3	0	0	0	0	113.2	G58	T56-G58 PolarHBondContact O-N 2.95Å
57	P	53.3	Low	57.6	Low	30 Å²	30	86.8 Å²	86.8	20%	0.195	47%	0.47	C	S	.	.	P	Polyproline II helix	trans	-82	118.5	179.2	33.4	-34.3	0	0	0	109.5	V27 F54 W65	V27-P57 HydrophobicContact CG1-CG 4.11Å; F54-P57 HydrophobicContact CE2-CG 4.32Å; F54-P57 HydrophobicContact CZ-CG 3.82Å; P57-W65 HydrophobicContact CB-CD2 4.43Å; P57-W65 HydrophobicContact CB-CE3 3.55Å; P57-W65 HydrophobicContact CB-CZ3 4Å; P57-W65 HydrophobicContact CG-CE3 3.72Å; P57-W65 HydrophobicContact CG-CZ3 3.69Å; P57-W65 VanDerWaalsContact O-CZ3 3.24Å; P57-W65 WeakPolarHBondContact O-CZ3 3.35Å
58	G	54.3	Low	57	Low	44 Å²	44	86 Å²	86	45%	0.454	48%	0.477	S	S	.	.	P	Polyproline II helix	trans	-76.3	137.2	164.7	0	0	0	0	0	110.3	T56 S66	T56-G58 PolarHBondContact O-N 2.95Å; G58-S66 WeakPolarHBondContact O-CB 3.44Å; G58-S66 PolarHBondContact O-N 3.45Å
59	L	52.8	Low	56.5	Low	105 Å²	105	83.7 Å²	83.7	55%	0.55	47%	0.466	S	S	.	.	B	Isolated β-bridge	trans	-71.8	123.8	162.6	-83	149.9	0	0	0	107.7	G63 W65	L59-G63 WeakPolarHBondContact CD2-O 3.44Å; L59-W65 HydrophobicContact CD1-CH2 4.17Å; L59-W65 HydrophobicContact CD1-CZ2 4.4Å; L59-W65 HydrophobicContact CD1-CZ3 4.33Å; L59-W65 HydrophobicContact CD2-CD2 4.22Å; L59-W65 HydrophobicContact CD2-CE3 4.47Å; L59-W65 HydrophobicContact CG-CD2 4.23Å; L59-W65 HydrophobicContact CG-CE3 3.98Å; L59-W65 HydrophobicContact CG-CH2 4.23Å; L59-W65 HydrophobicContact CG-CZ2 4.38Å; L59-W65 HydrophobicContact CG-CZ3 4.01Å
60	D	54.2	Low	55.9	Low	77 Å²	77	84.1 Å²	84.1	41%	0.412	47%	0.468	S	S	.	.	P	Polyproline II helix	trans	-68.2	169.8	168.5	76.5	11.6	0	0	0	110.8	K62 G63 K64	D60-K62 PolarHBondContact O-N 3.42Å; D60-K62 WeakPolarHBondContact OD1-CA 3.3Å; D60-K62 WeakPolarHBondContact OD1-CB 3.42Å; D60-K62 PolarHBondContact OD1-N 3.45Å; D60-G63 PolarHBondContact O-N 3.46Å; D60-G63 PolarHBondContact OD1-N 3.04Å; D60-G63 VanDerWaalsContact OD1-N 3.14Å; D60-K64 VanDerWaalsContact CG-O 3.25Å; D60-K64 PolarHBondContact N-O 3.26Å; D60-K64 PolarHBondContact OD1-N 2.71Å
61	I	48.5	Very low	55.4	Low	184 Å²	184	89.8 Å²	89.8	94%	0.944	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-9.8	-176.4	-37.1	165	0	0	0	112
62	K	54.1	Low	54.7	Low	189 Å²	189	89.5 Å²	89.5	82%	0.822	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.9	7.8	177.3	-64	-177.1	178.9	178.6	0	113.1	D60 K64	D60-K62 PolarHBondContact O-N 3.42Å; D60-K62 WeakPolarHBondContact OD1-CA 3.3Å; D60-K62 WeakPolarHBondContact OD1-CB 3.42Å; D60-K62 PolarHBondContact OD1-N 3.45Å; K62-K64 VanDerWaalsContact C-N 3.32Å; K62-K64 PolarHBondContact O-N 3.3Å
63	G	48.7	Very low	53.9	Low	52 Å²	52	90.3 Å²	90.3	54%	0.536	49%	0.494	S	S	.	.	S	Bend	trans	73.4	19.5	-179.7	0	0	0	0	0	114.1	L59 D60	L59-G63 WeakPolarHBondContact CD2-O 3.44Å; D60-G63 PolarHBondContact O-N 3.46Å; D60-G63 PolarHBondContact OD1-N 3.04Å; D60-G63 VanDerWaalsContact OD1-N 3.14Å
64	K	51.6	Low	53.3	Low	148 Å²	148	93.6 Å²	93.6	64%	0.643	52%	0.519	S	S	*	.	P	Polyproline II helix	trans	-99.8	138	172	-78.5	-175.4	176.6	180	0	110.5	D60 K62	D60-K64 VanDerWaalsContact CG-O 3.25Å; D60-K64 PolarHBondContact N-O 3.26Å; D60-K64 PolarHBondContact OD1-N 2.71Å; K62-K64 VanDerWaalsContact C-N 3.32Å; K62-K64 PolarHBondContact O-N 3.3Å
65	W	53.8	Low	53.1	Low	109 Å²	109	96.6 Å²	96.6	41%	0.413	54%	0.536	S	S	.	.	B	Isolated β-bridge	trans	-72.4	133.7	179.4	-64.5	101.7	0	0	0	112.3	P57 L59	P57-W65 HydrophobicContact CB-CD2 4.43Å; P57-W65 HydrophobicContact CB-CE3 3.55Å; P57-W65 HydrophobicContact CB-CZ3 4Å; P57-W65 HydrophobicContact CG-CE3 3.72Å; P57-W65 HydrophobicContact CG-CZ3 3.69Å; P57-W65 VanDerWaalsContact O-CZ3 3.24Å; P57-W65 WeakPolarHBondContact O-CZ3 3.35Å; L59-W65 HydrophobicContact CD1-CH2 4.17Å; L59-W65 HydrophobicContact CD1-CZ2 4.4Å; L59-W65 HydrophobicContact CD1-CZ3 4.33Å; L59-W65 HydrophobicContact CD2-CD2 4.22Å; L59-W65 HydrophobicContact CD2-CE3 4.47Å; L59-W65 HydrophobicContact CG-CD2 4.23Å; L59-W65 HydrophobicContact CG-CE3 3.98Å; L59-W65 HydrophobicContact CG-CH2 4.23Å; L59-W65 HydrophobicContact CG-CZ2 4.38Å; L59-W65 HydrophobicContact CG-CZ3 4.01Å
66	S	54.2	Low	53.3	Low	72 Å²	72	94.7 Å²	94.7	50%	0.503	53%	0.525	S	S	.	.	P	Polyproline II helix	trans	-55.9	139.9	172.5	175.2	0	0	0	0	112.6	G58 S68	G58-S66 WeakPolarHBondContact O-CB 3.44Å; G58-S66 PolarHBondContact O-N 3.45Å; S66-S68 PolarHBondContact O-N 2.88Å
67	S	49.8	Very low	53.6	Low	109 Å²	109	92.4 Å²	92.4	76%	0.762	51%	0.509	S	S	*	.			trans	-93.4	55.4	-166	58.3	0	0	0	0	114.9
68	S	53.3	Low	54.1	Low	66 Å²	66	95 Å²	95	46%	0.462	52%	0.517	S	S	.	.			trans	-85.4	-3.7	173.1	47.9	0	0	0	0	114.3	S66	S66-S68 PolarHBondContact O-N 2.88Å
69	W	56.9	Low	54.5	Low	49 Å²	49	93.2 Å²	93.2	19%	0.186	50%	0.497	C	S	.	.	S	Bend	trans	-119.1	127.3	178.8	-147.6	55.5	0	0	0	112.1	R51 R71 I76 F78	R51-W69 PolarHBondContact O-NE1 3.05Å; W69-R71 PolarHBondContact O-N 3.11Å; W69-I76 HydrophobicContact CH2-CB 4.03Å; W69-I76 HydrophobicContact CH2-CD1 3.34Å; W69-I76 HydrophobicContact CH2-CG1 4.05Å; W69-I76 HydrophobicContact CH2-CG2 3.95Å; W69-I76 HydrophobicContact CZ2-CD1 4.25Å; W69-I76 HydrophobicContact CZ3-CB 3.96Å; W69-I76 HydrophobicContact CZ3-CD1 4Å; W69-I76 HydrophobicContact CZ3-CG1 4.24Å; W69-I76 HydrophobicContact CZ3-CG2 4.17Å; W69-F78 HydrophobicContact CD2-CZ 4.26Å; W69-F78 HydrophobicContact CE3-CE1 4.41Å; W69-F78 HydrophobicContact CE3-CE2 4.14Å; W69-F78 AromaticContact CE3-CZ 3.43Å; W69-F78 HydrophobicContact CE3-CZ 3.43Å; W69-F78 VanDerWaalsContact CE3-CZ 3.43Å; W69-F78 HydrophobicContact CH2-CZ 4.25Å; W69-F78 HydrophobicContact CZ3-CE1 4.28Å; W69-F78 HydrophobicContact CZ3-CE2 4.04Å; W69-F78 AromaticContact CZ3-CZ 3.4Å; W69-F78 HydrophobicContact CZ3-CZ 3.4Å; W69-F78 VanDerWaalsContact CZ3-CZ 3.4Å
70	N	52.4	Low	54.9	Low	120 Å²	120	90.4 Å²	90.4	64%	0.642	49%	0.489	S	S	*	.			trans	-64.7	106.9	-177	-172.5	-11.9	0	0	0	110.3	S72	N70-S72 VanDerWaalsContact CG-OG 3.24Å; N70-S72 PolarHBondContact ND2-OG 3.04Å; N70-S72 PolarHBondContact O-N 2.99Å; N70-S72 PolarHBondContact OD1-N 3.32Å; N70-S72 PolarHBondContact OD1-OG 3.3Å
71	R	48.9	Very low	55	Low	195 Å²	195	90.7 Å²	90.7	74%	0.736	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	6.7	-177.3	-80.8	-171.6	179.6	168.7	4	115.3	W69 T73	W69-R71 PolarHBondContact O-N 3.11Å; R71-T73 PolarHBondContact O-N 3.01Å
72	S	49.6	Very low	55.4	Low	86 Å²	86	87.1 Å²	87.1	60%	0.601	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-7.7	177.7	48	0	0	0	0	114	N70	N70-S72 VanDerWaalsContact CG-OG 3.24Å; N70-S72 PolarHBondContact ND2-OG 3.04Å; N70-S72 PolarHBondContact O-N 2.99Å; N70-S72 PolarHBondContact OD1-N 3.32Å; N70-S72 PolarHBondContact OD1-OG 3.3Å
73	T	53.4	Low	55.3	Low	36 Å²	36	83.7 Å²	83.7	22%	0.221	47%	0.465	C	S	.	.			trans	-112.2	88.4	169.3	68.7	0	0	0	0	110.6	R51 R71 D75	R51-T73 VanDerWaalsContact NH1-CB 3.26Å; R51-T73 PolarHBondContact NH1-OG1 3.41Å; R71-T73 PolarHBondContact O-N 3.01Å; T73-D75 PolarHBondContact O-N 3.04Å
74	S	52.3	Low	55.7	Low	109 Å²	109	81.8 Å²	81.8	76%	0.762	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-0.1	-179.6	52	0	0	0	0	115.6
75	D	59.9	Low	55.7	Low	82 Å²	82	76.5 Å²	76.5	44%	0.439	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	5.5	-163.9	-67.7	-2.5	0	0	0	113.7	R20 P23 T73	R20-D75 IonicContact NH1-OD2 3.83Å; P23-D75 WeakPolarHBondContact CD-O 3.43Å; T73-D75 PolarHBondContact O-N 3.04Å
76	I	61.7	Low	55.7	Low	33 Å²	33	73.6 Å²	73.6	17%	0.169	42%	0.424	C	S	.	.			trans	-109.3	125.5	-175.2	-45	-159.5	0	0	0	111.1	P23 A25 W69	P23-I76 HydrophobicContact CG-CB 4.28Å; P23-I76 HydrophobicContact CG-CD1 3.98Å; P23-I76 HydrophobicContact CG-CG1 3.73Å; P23-I76 HydrophobicContact CG-CG2 4.24Å; P23-I76 WeakPolarHBondContact O-CA 3.15Å; P23-I76 WeakPolarHBondContact O-CG2 3.38Å; A25-I76 HydrophobicContact CB-CG2 4.38Å; W69-I76 HydrophobicContact CH2-CB 4.03Å; W69-I76 HydrophobicContact CH2-CD1 3.34Å; W69-I76 HydrophobicContact CH2-CG1 4.05Å; W69-I76 HydrophobicContact CH2-CG2 3.95Å; W69-I76 HydrophobicContact CZ2-CD1 4.25Å; W69-I76 HydrophobicContact CZ3-CB 3.96Å; W69-I76 HydrophobicContact CZ3-CD1 4Å; W69-I76 HydrophobicContact CZ3-CG1 4.24Å; W69-I76 HydrophobicContact CZ3-CG2 4.17Å
77	L	62.2	Low	55.8	Low	45 Å²	45	76.7 Å²	76.7	24%	0.236	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	132.8	-178.6	-146.7	114.9	0	0	0	110.8	P23 I24 A25 M79	P23-L77 PolarHBondContact O-N 3.3Å; I24-L77 CarbonylContact C-O 3.59Å; I24-L77 WeakPolarHBondContact CA-O 3.48Å; I24-L77 HydrophobicContact CG1-CB 4.15Å; A25-L77 PolarHBondContact N-O 3.35Å; L77-M79 HydrophobicContact CD2-CG 3.97Å; L77-M79 HydrophobicContact CD2-SD 4.02Å
78	F	64.3	Low	56.2	Low	84 Å²	84	72 Å²	72	37%	0.368	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	135.1	177.8	-67	-81	0	0	0	111.6	A25 V27 F54 W69	A25-F78 HydrophobicContact CB-CD1 3.97Å; A25-F78 HydrophobicContact CB-CE1 4.07Å; V27-F78 HydrophobicContact CG2-CB 4.23Å; V27-F78 HydrophobicContact CG2-CD1 3.98Å; F54-F78 AromaticContact CD2-CE1 3.95Å; F54-F78 HydrophobicContact CD2-CE1 3.95Å; F54-F78 AromaticContact CE2-CD1 3.92Å; F54-F78 HydrophobicContact CE2-CD1 3.92Å; F54-F78 AromaticContact CE2-CE1 3.41Å; F54-F78 HydrophobicContact CE2-CE1 3.41Å; F54-F78 VanDerWaalsContact CE2-CE1 3.41Å; F54-F78 HydrophobicContact CE2-CZ 4.36Å; F54-F78 HydrophobicContact CZ-CD1 4.4Å; F54-F78 HydrophobicContact CZ-CE1 4.3Å; W69-F78 HydrophobicContact CD2-CZ 4.26Å; W69-F78 HydrophobicContact CE3-CE1 4.41Å; W69-F78 HydrophobicContact CE3-CE2 4.14Å; W69-F78 AromaticContact CE3-CZ 3.43Å; W69-F78 HydrophobicContact CE3-CZ 3.43Å; W69-F78 VanDerWaalsContact CE3-CZ 3.43Å; W69-F78 HydrophobicContact CH2-CZ 4.25Å; W69-F78 HydrophobicContact CZ3-CE1 4.28Å; W69-F78 HydrophobicContact CZ3-CE2 4.04Å; W69-F78 AromaticContact CZ3-CZ 3.4Å; W69-F78 HydrophobicContact CZ3-CZ 3.4Å; W69-F78 VanDerWaalsContact CZ3-CZ 3.4Å
79	M	63	Low	56.3	Low	8 Å²	8	78.7 Å²	78.7	4%	0.039	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	124.4	-178.4	-64	-175.3	52.7	0	0	111.6	I24 A25 V27 L77 V84 R87 L88	I24-M79 HydrophobicContact CD1-SD 3.98Å; I24-M79 HydrophobicContact CG2-CB 4.32Å; I24-M79 HydrophobicContact CG2-CG 3.74Å; I24-M79 HydrophobicContact CG2-SD 3.39Å; I24-M79 WeakPolarHBondContact CG2-SD 3.34Å; A25-M79 PolarHBondContact O-N 3.1Å; A25-M79 VanDerWaalsContact O-N 3.1Å; V27-M79 WeakPolarHBondContact CB-O 3.37Å; V27-M79 PolarHBondContact N-O 3.49Å; L77-M79 HydrophobicContact CD2-CG 3.97Å; L77-M79 HydrophobicContact CD2-SD 4.02Å; M79-V84 HydrophobicContact CB-CG2 4.23Å; M79-V84 HydrophobicContact CE-CB 3.91Å; M79-V84 HydrophobicContact CE-CG1 3.77Å; M79-V84 HydrophobicContact CE-CG2 4.27Å; M79-V84 VanDerWaalsContact CE-O 3.28Å; M79-V84 WeakPolarHBondContact CE-O 3.45Å; M79-R87 HydrophobicContact CE-CB 3.77Å; M79-R87 HydrophobicContact CE-CG 4.41Å; M79-L88 HydrophobicContact CE-CD2 4.28Å; M79-L88 HydrophobicContact CE-CG 4.1Å; M79-L88 HydrophobicContact SD-CD2 4.2Å
80	A	59.7	Low	56.4	Low	45 Å²	45	85.7 Å²	85.7	37%	0.372	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	155.7	175.7	0	0	0	0	0	111.6	V27 T82 V84	V27-A80 WeakPolarHBondContact O-CA 3.16Å; A80-T82 PolarHBondContact O-N 2.95Å; A80-T82 VanDerWaalsContact O-N 3.09Å; A80-V84 WeakPolarHBondContact O-CG2 3.41Å
81	E	56.5	Low	56.7	Low	83 Å²	83	82.7 Å²	82.7	39%	0.388	42%	0.416	S	S	.	.	S	Bend	trans	-50	-34	-177.3	-165	160.8	-117.3	0	0	114.4	Y26 V27 Y29	Y26-E81 WeakPolarHBondContact OH-CG 3.36Å; Y26-E81 PolarHBondContact OH-OE1 3.43Å; V27-E81 PolarHBondContact O-N 3.35Å; V27-E81 VanDerWaalsContact O-N 3.16Å; Y29-E81 VanDerWaalsContact CD2-OE2 3.23Å; Y29-E81 WeakPolarHBondContact CD2-OE2 3.45Å
82	T	56.3	Low	57.1	Low	110 Å²	110	81.9 Å²	81.9	68%	0.675	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	124.1	173.6	55.7	0	0	0	0	110.4	A80	A80-T82 PolarHBondContact O-N 2.95Å; A80-T82 VanDerWaalsContact O-N 3.09Å
83	N	53.5	Low	57.6	Low	116 Å²	116	80.1 Å²	80.1	62%	0.62	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.1	18	178	-54.8	-55.2	0	0	0	118.3	A85 S86 R87	N83-A85 VanDerWaalsContact C-N 3.29Å; N83-A85 PolarHBondContact O-N 3.37Å; N83-S86 WeakPolarHBondContact CB-OG 3.33Å; N83-S86 PolarHBondContact O-N 3.35Å; N83-S86 PolarHBondContact O-OG 3.42Å; N83-R87 PolarHBondContact O-N 3.41Å
84	V	57	Low	57.8	Low	12 Å²	12	81.8 Å²	81.8	7%	0.073	40%	0.404	C	S	.	.	H	α-helix	trans	-58.4	-46.5	173.3	173.8	0	0	0	0	110.8	Y26 M79 A80 S86 R87 L88 W105	Y26-V84 HydrophobicContact CD2-CG2 4.43Å; Y26-V84 HydrophobicContact CE2-CG2 4.38Å; M79-V84 HydrophobicContact CB-CG2 4.23Å; M79-V84 HydrophobicContact CE-CB 3.91Å; M79-V84 HydrophobicContact CE-CG1 3.77Å; M79-V84 HydrophobicContact CE-CG2 4.27Å; M79-V84 VanDerWaalsContact CE-O 3.28Å; M79-V84 WeakPolarHBondContact CE-O 3.45Å; A80-V84 WeakPolarHBondContact O-CG2 3.41Å; V84-S86 PolarHBondContact O-N 3.01Å; V84-R87 PolarHBondContact O-N 2.83Å; V84-L88 HydrophobicContact CG1-CD1 3.76Å; V84-L88 HydrophobicContact CG1-CG 4.12Å; V84-L88 WeakPolarHBondContact O-CB 3.28Å; V84-L88 WeakPolarHBondContact O-CG 3.45Å; V84-L88 PolarHBondContact O-N 3.1Å; V84-W105 HydrophobicContact CB-CH2 3.49Å; V84-W105 VanDerWaalsContact CB-CH2 3.49Å; V84-W105 HydrophobicContact CB-CZ3 3.5Å; V84-W105 VanDerWaalsContact CB-CZ3 3.5Å; V84-W105 HydrophobicContact CG1-CH2 3.86Å; V84-W105 HydrophobicContact CG1-CZ3 3.63Å; V84-W105 HydrophobicContact CG2-CH2 4.02Å
85	A	50.7	Low	57.7	Low	37 Å²	37	81.5 Å²	81.5	31%	0.306	39%	0.394	S	S	.	.	H	α-helix	trans	-49.8	-53.6	177.1	0	0	0	0	0	114.6	N83 R87 W105 L108	N83-A85 VanDerWaalsContact C-N 3.29Å; N83-A85 PolarHBondContact O-N 3.37Å; A85-R87 VanDerWaalsContact C-N 3.28Å; A85-R87 PolarHBondContact O-N 3.15Å; A85-W105 HydrophobicContact CB-CE3 3.86Å; A85-W105 HydrophobicContact CB-CZ3 4.16Å; A85-L108 HydrophobicContact CB-CD1 3.44Å; A85-L108 VanDerWaalsContact CB-CD1 3.44Å
86	S	55	Low	57.3	Low	49 Å²	49	79.2 Å²	79.2	34%	0.343	39%	0.386	S	S	.	.	H	α-helix	trans	-76.7	-16.1	-171.3	62.4	0	0	0	0	113.6	N83 V84 R90	N83-S86 WeakPolarHBondContact CB-OG 3.33Å; N83-S86 PolarHBondContact O-N 3.35Å; N83-S86 PolarHBondContact O-OG 3.42Å; V84-S86 PolarHBondContact O-N 3.01Å; S86-R90 PolarHBondContact O-NE 3.38Å
87	R	56.1	Low	56.9	Low	137 Å²	137	82.1 Å²	82.1	52%	0.517	40%	0.396	S	S	.	.	H	α-helix	trans	-97.7	-33.5	179.3	-158.2	163.5	-172.9	163.1	-0.9	112.1	M79 N83 V84 A85 Y89 R90 E91	M79-R87 HydrophobicContact CE-CB 3.77Å; M79-R87 HydrophobicContact CE-CG 4.41Å; N83-R87 PolarHBondContact O-N 3.41Å; V84-R87 PolarHBondContact O-N 2.83Å; A85-R87 VanDerWaalsContact C-N 3.28Å; A85-R87 PolarHBondContact O-N 3.15Å; R87-Y89 PolarHBondContact O-N 3.45Å; R87-R90 PolarHBondContact O-N 3.23Å; R87-E91 PolarHBondContact O-N 3.43Å
88	L	58.5	Low	56.2	Low	9 Å²	9	82.7 Å²	82.7	5%	0.047	40%	0.398	C	S	.	.	H	α-helix	trans	-57.6	-29.5	168.9	-76.1	-178.4	0	0	0	112.5	I24 M79 V84 R90 Y94 I98 L108	I24-L88 HydrophobicContact CD1-CD2 3.71Å; M79-L88 HydrophobicContact CE-CD2 4.28Å; M79-L88 HydrophobicContact CE-CG 4.1Å; M79-L88 HydrophobicContact SD-CD2 4.2Å; V84-L88 HydrophobicContact CG1-CD1 3.76Å; V84-L88 HydrophobicContact CG1-CG 4.12Å; V84-L88 WeakPolarHBondContact O-CB 3.28Å; V84-L88 WeakPolarHBondContact O-CG 3.45Å; V84-L88 PolarHBondContact O-N 3.1Å; L88-R90 VanDerWaalsContact C-N 3.27Å; L88-R90 PolarHBondContact O-N 3Å; L88-Y94 WeakPolarHBondContact CB-OH 3.14Å; L88-Y94 HydrophobicContact CD2-CD2 3.86Å; L88-Y94 HydrophobicContact CD2-CE1 4.24Å; L88-Y94 HydrophobicContact CD2-CE2 3.27Å; L88-Y94 VanDerWaalsContact CD2-CZ 3.5Å; L88-Y94 HydrophobicContact CG-CE2 4.34Å; L88-Y94 WeakPolarHBondContact O-CE1 3.48Å; L88-Y94 PolarHBondContact O-OH 3.09Å; L88-I98 HydrophobicContact CD1-CD1 4.12Å; L88-L108 HydrophobicContact CD1-CD2 3.93Å
89	Y	55.4	Low	55.5	Low	208 Å²	208	80 Å²	80	82%	0.816	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-19.3	175.4	-146.6	-87.7	0	0	0	114	R87	R87-Y89 PolarHBondContact O-N 3.45Å
90	R	58.2	Low	54.7	Low	196 Å²	196	82.1 Å²	82.1	74%	0.74	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.4	-23.4	-175.2	-59.3	-174.5	-147.2	-164.9	2.8	113.5	S86 R87 L88	S86-R90 PolarHBondContact O-NE 3.38Å; R87-R90 PolarHBondContact O-N 3.23Å; L88-R90 VanDerWaalsContact C-N 3.27Å; L88-R90 PolarHBondContact O-N 3Å
91	E	58.1	Low	54.1	Low	57 Å²	57	83.9 Å²	83.9	27%	0.266	40%	0.399	S	S	.	.			trans	-90.5	128.1	-179.1	-62.6	-63.3	154.6	0	0	109.7	R22 R87 Y94	R22-E91 IonicContact NH1-OE2 2.81Å; R87-E91 PolarHBondContact O-N 3.43Å; E91-Y94 HydrophobicContact CB-CD1 3.9Å; E91-Y94 HydrophobicContact CB-CE1 4.4Å; E91-Y94 VanDerWaalsContact O-CD1 3.25Å; E91-Y94 WeakPolarHBondContact O-CD1 3.34Å; E91-Y94 WeakPolarHBondContact O-CE1 3.09Å
92	K	58	Low	53.7	Low	178 Å²	178	81.5 Å²	81.5	77%	0.774	39%	0.389	S	S	*	.			trans	-94.8	149	171.7	-67	-176.7	177.9	-178.8	0	109.2
93	N	59.7	Low	53.2	Low	49 Å²	49	80.9 Å²	80.9	26%	0.262	38%	0.382	S	S	.	.	S	Bend	trans	65.4	41.4	168.8	-53.2	-31.4	0	0	0	116.3	W2 P17 D19	W2-N93 VanDerWaalsContact NE1-C 3.34Å; W2-N93 PolarHBondContact NE1-O 2.62Å; P17-N93 WeakPolarHBondContact CG-OD1 3.17Å; D19-N93 HydrophobicContact CB-CB 4.17Å; D19-N93 WeakPolarHBondContact CB-ND2 3.47Å; D19-N93 PolarHBondContact OD2-ND2 2.88Å
94	Y	57.7	Low	52.9	Low	71 Å²	71	83.7 Å²	83.7	28%	0.278	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	156	179.7	65.4	-91.3	0	0	0	114.1	W2 R22 I24 L88 E91 A96	W2-Y94 WeakPolarHBondContact CZ2-O 3.46Å; R22-Y94 WeakPolarHBondContact O-CA 2.97Å; I24-Y94 HydrophobicContact CD1-CD2 3.61Å; I24-Y94 HydrophobicContact CD1-CE2 4.39Å; I24-Y94 HydrophobicContact CD1-CG 3.7Å; I24-Y94 HydrophobicContact CG1-CD2 4.45Å; L88-Y94 WeakPolarHBondContact CB-OH 3.14Å; L88-Y94 HydrophobicContact CD2-CD2 3.86Å; L88-Y94 HydrophobicContact CD2-CE1 4.24Å; L88-Y94 HydrophobicContact CD2-CE2 3.27Å; L88-Y94 VanDerWaalsContact CD2-CZ 3.5Å; L88-Y94 HydrophobicContact CG-CE2 4.34Å; L88-Y94 WeakPolarHBondContact O-CE1 3.48Å; L88-Y94 PolarHBondContact O-OH 3.09Å; E91-Y94 HydrophobicContact CB-CD1 3.9Å; E91-Y94 HydrophobicContact CB-CE1 4.4Å; E91-Y94 VanDerWaalsContact O-CD1 3.25Å; E91-Y94 WeakPolarHBondContact O-CD1 3.34Å; E91-Y94 WeakPolarHBondContact O-CE1 3.09Å; Y94-A96 HydrophobicContact CD2-CB 4.08Å; Y94-A96 HydrophobicContact CE2-CB 4.18Å
95	L	51	Low	52.7	Low	103 Å²	103	86.3 Å²	86.3	54%	0.539	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	117.7	168.2	-170.3	82.9	0	0	0	108.2	I21 R22 P23 I24	I21-L95 HydrophobicContact CG2-CB 3.45Å; I21-L95 VanDerWaalsContact CG2-CB 3.45Å; I21-L95 HydrophobicContact CG2-CD2 4.41Å; R22-L95 PolarHBondContact O-N 2.94Å; P23-L95 WeakPolarHBondContact CA-O 3.36Å; I24-L95 PolarHBondContact N-O 3.35Å
96	A	51.2	Low	52.5	Low	34 Å²	34	90.9 Å²	90.9	28%	0.281	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	141.1	175.8	0	0	0	0	0	109.1	I24 Y94 I98	I24-A96 HydrophobicContact CB-CB 4.15Å; Y94-A96 HydrophobicContact CD2-CB 4.08Å; Y94-A96 HydrophobicContact CE2-CB 4.18Å; A96-I98 HydrophobicContact CB-CG1 4.48Å
97	Y	52.1	Low	52.3	Low	94 Å²	94	92 Å²	92	37%	0.369	45%	0.445	S	S	.	.			trans	-94.1	126.9	161.8	69.3	-84.7	0	0	0	107.3	Y26 T33	Y26-Y97 PolarHBondContact N-OH 2.8Å; T33-Y97 WeakPolarHBondContact CB-OH 3.43Å; T33-Y97 WeakPolarHBondContact CG2-OH 3.41Å; T33-Y97 PolarHBondContact OG1-OH 2.74Å
98	I	49.1	Very low	51.8	Low	57 Å²	57	87.5 Å²	87.5	29%	0.292	43%	0.431	S	S	.	.			trans	-122.1	138.9	175.1	-59.1	175	0	0	0	105.8	L88 A96 N102 I110	L88-I98 HydrophobicContact CD1-CD1 4.12Å; A96-I98 HydrophobicContact CB-CG1 4.48Å; I98-N102 HydrophobicContact CG2-CB 3.67Å; I98-I110 HydrophobicContact CD1-CD1 4.18Å; I98-I110 HydrophobicContact CD1-CG2 4.43Å
99	T	48.8	Very low	51	Low	28 Å²	28	96.7 Å²	96.7	17%	0.172	47%	0.474	C	S	.	.			trans	-75.4	142.4	178.3	61.8	0	0	0	0	109.8	F101 N102 N205	T99-F101 PolarHBondContact O-N 3Å; T99-N102 PolarHBondContact O-N 3.39Å; T99-N205 VanDerWaalsContact CB-CG 3.4Å; T99-N205 WeakPolarHBondContact CB-OD1 3.34Å; T99-N205 HydrophobicContact CG2-CB 3.89Å; T99-N205 WeakPolarHBondContact CG2-ND2 3.24Å; T99-N205 WeakPolarHBondContact CG2-OD1 3.34Å; T99-N205 PolarHBondContact OG1-OD1 3.34Å; T99-N205 VanDerWaalsContact OG1-OD1 3.08Å
100	L	47.2	Very low	50.6	Low	52 Å²	52	89.7 Å²	89.7	27%	0.272	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-6.8	-172.2	-78.4	158.3	0	0	0	115.6	Y123 L126	L100-Y123 HydrophobicContact CB-CD2 4.11Å; L100-Y123 HydrophobicContact CB-CE2 4.39Å; L100-L126 HydrophobicContact CD2-CD1 4.29Å
101	F	45.8	Very low	49.8	Very low	81 Å²	81	85 Å²	85	36%	0.355	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-7.5	178.2	-74.7	-81.4	0	0	0	113.9	T99 D103 Y123	T99-F101 PolarHBondContact O-N 3Å; F101-D103 VanDerWaalsContact C-N 3.28Å; F101-D103 PolarHBondContact O-N 3.2Å; F101-Y123 HydrophobicContact CD1-CE2 4.46Å; F101-Y123 HydrophobicContact CD2-CE2 4.42Å; F101-Y123 AromaticContact CE1-CE1 3.73Å; F101-Y123 HydrophobicContact CE1-CE1 3.73Å; F101-Y123 AromaticContact CE1-CE2 3.98Å; F101-Y123 HydrophobicContact CE1-CE2 3.98Å; F101-Y123 AromaticContact CE1-CZ 3.45Å; F101-Y123 VanDerWaalsContact CE1-CZ 3.45Å; F101-Y123 AromaticContact CE2-CE2 3.92Å; F101-Y123 HydrophobicContact CE2-CE2 3.92Å; F101-Y123 AromaticContact CE2-CZ 3.91Å; F101-Y123 AromaticContact CZ-CE1 4Å; F101-Y123 HydrophobicContact CZ-CE1 4Å; F101-Y123 AromaticContact CZ-CE2 3.74Å; F101-Y123 HydrophobicContact CZ-CE2 3.74Å; F101-Y123 AromaticContact CZ-CZ 3.26Å; F101-Y123 WeakPolarHBondContact CZ-OH 3.34Å
102	N	48.8	Very low	49.1	Very low	33 Å²	33	85 Å²	85	18%	0.176	46%	0.46	C	S	.	.	G	3₁₀ helix	trans	-87	6.7	178.3	-83.9	-8.3	0	0	0	114	I98 T99 Q104 W105	I98-N102 HydrophobicContact CG2-CB 3.67Å; T99-N102 PolarHBondContact O-N 3.39Å; N102-Q104 PolarHBondContact O-N 2.88Å; N102-W105 PolarHBondContact O-N 3.28Å
103	D	45.4	Very low	48.5	Very low	98 Å²	98	78.5 Å²	78.5	52%	0.524	43%	0.433	S	S	.	.	G	3₁₀ helix	trans	-60.1	-9.1	176.4	-61	2.9	0	0	0	113.5	F101 W105	F101-D103 VanDerWaalsContact C-N 3.28Å; F101-D103 PolarHBondContact O-N 3.2Å; D103-W105 VanDerWaalsContact C-N 3.32Å; D103-W105 PolarHBondContact O-N 2.91Å
104	Q	47.4	Very low	47.7	Very low	174 Å²	174	79.8 Å²	79.8	81%	0.813	44%	0.443	S	S	*	.	G	3₁₀ helix	trans	-81.6	1.2	179.9	-68.5	-112.6	-34.2	0	0	114.6	N102 P106	N102-Q104 PolarHBondContact O-N 2.88Å; Q104-P106 WeakPolarHBondContact O-CD 3.1Å
105	W	52.5	Low	47.3	Very low	68 Å²	68	77.8 Å²	77.8	26%	0.258	44%	0.437	S	S	.	.			trans	-79.1	109.5	-177.7	-68.2	6.9	0	0	0	111.4	V84 A85 N102 D103 G107 L108	V84-W105 HydrophobicContact CB-CH2 3.49Å; V84-W105 VanDerWaalsContact CB-CH2 3.49Å; V84-W105 HydrophobicContact CB-CZ3 3.5Å; V84-W105 VanDerWaalsContact CB-CZ3 3.5Å; V84-W105 HydrophobicContact CG1-CH2 3.86Å; V84-W105 HydrophobicContact CG1-CZ3 3.63Å; V84-W105 HydrophobicContact CG2-CH2 4.02Å; A85-W105 HydrophobicContact CB-CE3 3.86Å; A85-W105 HydrophobicContact CB-CZ3 4.16Å; N102-W105 PolarHBondContact O-N 3.28Å; D103-W105 VanDerWaalsContact C-N 3.32Å; D103-W105 PolarHBondContact O-N 2.91Å; W105-G107 PolarHBondContact O-N 3.42Å; W105-L108 HydrophobicContact CB-CD1 3.88Å; W105-L108 HydrophobicContact CE3-CD1 3.81Å; W105-L108 HydrophobicContact CE3-CD2 4.27Å
106	P	46.3	Very low	46.9	Very low	132 Å²	132	79.5 Å²	79.5	86%	0.857	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	122.8	-177.9	-12.4	28.4	0	0	0	109.3	Q104	Q104-P106 WeakPolarHBondContact O-CD 3.1Å
107	G	50.5	Low	46.7	Very low	72 Å²	72	80.6 Å²	80.6	74%	0.742	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	99.2	6.9	172	0	0	0	0	0	117.1	W105	W105-G107 PolarHBondContact O-N 3.42Å
108	L	46.8	Very low	46.5	Very low	43 Å²	43	78.6 Å²	78.6	23%	0.225	45%	0.454	C	S	.	.			trans	-92.4	127.1	162.4	-85	87.3	0	0	0	111.3	A85 L88 W105 I110	A85-L108 HydrophobicContact CB-CD1 3.44Å; A85-L108 VanDerWaalsContact CB-CD1 3.44Å; L88-L108 HydrophobicContact CD1-CD2 3.93Å; W105-L108 HydrophobicContact CB-CD1 3.88Å; W105-L108 HydrophobicContact CE3-CD1 3.81Å; W105-L108 HydrophobicContact CE3-CD2 4.27Å; L108-I110 VanDerWaalsContact C-N 3.26Å; L108-I110 HydrophobicContact CB-CD1 4.38Å; L108-I110 HydrophobicContact CB-CG1 3.72Å; L108-I110 HydrophobicContact CD2-CD1 4.23Å; L108-I110 HydrophobicContact CD2-CG1 3.87Å; L108-I110 HydrophobicContact CG-CG1 4.46Å; L108-I110 PolarHBondContact O-N 3.48Å; L108-I110 VanDerWaalsContact O-N 3.14Å
109	Q	41.7	Very low	46.6	Very low	203 Å²	203	80.7 Å²	80.7	95%	0.949	47%	0.465	S	S	*	.			trans	-79.4	81.1	153.8	-74.6	-169	-11.2	0	0	108.4
110	I	45.7	Very low	46.8	Very low	61 Å²	61	83.8 Å²	83.8	31%	0.313	48%	0.484	S	S	.	.			trans	-70.5	142.5	162	-49.6	-179	0	0	0	106.1	I98 L108 S112	I98-I110 HydrophobicContact CD1-CD1 4.18Å; I98-I110 HydrophobicContact CD1-CG2 4.43Å; L108-I110 VanDerWaalsContact C-N 3.26Å; L108-I110 HydrophobicContact CB-CD1 4.38Å; L108-I110 HydrophobicContact CB-CG1 3.72Å; L108-I110 HydrophobicContact CD2-CD1 4.23Å; L108-I110 HydrophobicContact CD2-CG1 3.87Å; L108-I110 HydrophobicContact CG-CG1 4.46Å; L108-I110 PolarHBondContact O-N 3.48Å; L108-I110 VanDerWaalsContact O-N 3.14Å; I110-S112 VanDerWaalsContact C-N 3.33Å; I110-S112 PolarHBondContact O-N 2.78Å
111	A	43.2	Very low	47.1	Very low	98 Å²	98	83.8 Å²	83.8	81%	0.81	48%	0.484	S	S	*	.			trans	-57.9	99.2	173.1	0	0	0	0	0	108.6
112	S	42.5	Very low	47.6	Very low	57 Å²	57	81.9 Å²	81.9	40%	0.399	48%	0.481	S	S	.	.			trans	-65.9	139.5	178.2	56.6	0	0	0	0	108.6	I110 V114	I110-S112 VanDerWaalsContact C-N 3.33Å; I110-S112 PolarHBondContact O-N 2.78Å; S112-V114 WeakPolarHBondContact O-CG2 3.48Å; S112-V114 PolarHBondContact O-N 3.1Å
113	L	45.5	Very low	48.1	Very low	41 Å²	41	83 Å²	83	22%	0.215	48%	0.483	C	S	.	.			trans	-66.3	105	171.4	-72.3	175.5	0	0	0	108.4	T120 I121 L126 L160 Y162	L113-T120 CarbonylContact O-C 3.52Å; L113-T120 WeakPolarHBondContact O-CA 3.46Å; L113-I121 HydrophobicContact CB-CB 4.26Å; L113-I121 HydrophobicContact CB-CD1 4.31Å; L113-I121 PolarHBondContact O-N 3.02Å; L113-L126 HydrophobicContact CD1-CD1 3.98Å; L113-L160 HydrophobicContact CD2-CD1 3.13Å; L113-L160 HydrophobicContact CG-CD1 4.46Å; L113-Y162 HydrophobicContact CD1-CE2 4.34Å
114	V	43.3	Very low	48.7	Very low	76 Å²	76	81.9 Å²	81.9	46%	0.461	48%	0.483	S	S	.	.	B	Isolated β-bridge	trans	-100.2	126.1	180	-152.8	0	0	0	0	107.7	S112 G118 N119	S112-V114 WeakPolarHBondContact O-CG2 3.48Å; S112-V114 PolarHBondContact O-N 3.1Å; V114-G118 WeakPolarHBondContact CG1-O 3.39Å; V114-N119 WeakPolarHBondContact CA-O 3.44Å
115	N	48.9	Very low	49.3	Very low	28 Å²	28	78.7 Å²	78.7	15%	0.15	47%	0.468	C	S	.	.			trans	-66.5	168.4	166.7	64.9	21.3	0	0	0	109.8	A117 G118 N119 I121	N115-A117 PolarHBondContact O-N 2.8Å; N115-A117 WeakPolarHBondContact OD1-CA 3.32Å; N115-A117 WeakPolarHBondContact OD1-CB 3.44Å; N115-A117 PolarHBondContact OD1-N 2.85Å; N115-A117 VanDerWaalsContact OD1-N 3.15Å; N115-G118 PolarHBondContact O-N 3.12Å; N115-G118 PolarHBondContact OD1-N 3.23Å; N115-N119 PolarHBondContact N-O 2.93Å; N115-N119 PolarHBondContact OD1-N 2.69Å; N115-N119 PolarHBondContact OD1-O 3.06Å; N115-I121 HydrophobicContact CB-CD1 4.41Å; N115-I121 HydrophobicContact CB-CG1 4.43Å
116	R	42.6	Very low	49.6	Very low	139 Å²	139	76.8 Å²	76.8	53%	0.525	46%	0.462	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-20.7	179.7	-78.2	172.5	171.5	174.4	2.2	113.4	G118 E156 Y158	R116-G118 VanDerWaalsContact C-N 3.26Å; R116-G118 PolarHBondContact O-N 3.46Å; R116-E156 HydrophobicContact CB-CB 3.55Å; R116-E156 WeakPolarHBondContact CB-O 3.35Å; R116-E156 WeakPolarHBondContact CD-O 3.47Å; R116-E156 HydrophobicContact CG-CB 4.12Å; R116-E156 WeakPolarHBondContact CG-O 3.2Å; R116-E156 PolarHBondContact N-O 3.47Å; R116-E156 VanDerWaalsContact N-O 3.11Å; R116-Y158 HydrophobicContact CG-CD2 3.77Å; R116-Y158 HydrophobicContact CG-CE2 3.56Å; R116-Y158 VanDerWaalsContact NE-CZ 3.32Å; R116-Y158 PolarHBondContact NE-OH 3.1Å; R116-Y158 PolarHBondContact NH2-OH 3.12Å
117	A	47	Very low	50.3	Low	57 Å²	57	72.1 Å²	72.1	47%	0.471	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	2.5	177.2	0	0	0	0	0	114.4	N115 N119	N115-A117 PolarHBondContact O-N 2.8Å; N115-A117 WeakPolarHBondContact OD1-CA 3.32Å; N115-A117 WeakPolarHBondContact OD1-CB 3.44Å; N115-A117 PolarHBondContact OD1-N 2.85Å; N115-A117 VanDerWaalsContact OD1-N 3.15Å; A117-N119 VanDerWaalsContact C-N 3.32Å; A117-N119 PolarHBondContact O-N 3.46Å
118	G	48.6	Very low	50.8	Low	53 Å²	53	72.9 Å²	72.9	55%	0.546	42%	0.419	S	S	.	.	S	Bend	trans	84	3.7	179.9	0	0	0	0	0	114.3	V114 N115 R116	V114-G118 WeakPolarHBondContact CG1-O 3.39Å; N115-G118 PolarHBondContact O-N 3.12Å; N115-G118 PolarHBondContact OD1-N 3.23Å; R116-G118 VanDerWaalsContact C-N 3.26Å; R116-G118 PolarHBondContact O-N 3.46Å
119	N	49.1	Very low	51.3	Low	100 Å²	100	71.1 Å²	71.1	54%	0.535	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-92.5	132.8	-179.5	-61.8	-27.8	0	0	0	111.9	V114 N115 A117 I121	V114-N119 WeakPolarHBondContact CA-O 3.44Å; N115-N119 PolarHBondContact N-O 2.93Å; N115-N119 PolarHBondContact OD1-N 2.69Å; N115-N119 PolarHBondContact OD1-O 3.06Å; A117-N119 VanDerWaalsContact C-N 3.32Å; A117-N119 PolarHBondContact O-N 3.46Å; N119-I121 PolarHBondContact O-N 3.25Å
120	T	53.5	Low	52.2	Low	93 Å²	93	62.1 Å²	62.1	57%	0.571	37%	0.369	S	S	*	.	B	Isolated β-bridge	trans	-66.2	122.2	172.8	-51.3	0	0	0	0	111	L113	L113-T120 CarbonylContact O-C 3.52Å; L113-T120 WeakPolarHBondContact O-CA 3.46Å
121	I	53.6	Low	52.9	Low	52 Å²	52	62.6 Å²	62.6	27%	0.267	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-74.3	125.3	172.9	-61	165.6	0	0	0	108.5	L113 N115 N119 E125 L126	L113-I121 HydrophobicContact CB-CB 4.26Å; L113-I121 HydrophobicContact CB-CD1 4.31Å; L113-I121 PolarHBondContact O-N 3.02Å; N115-I121 HydrophobicContact CB-CD1 4.41Å; N115-I121 HydrophobicContact CB-CG1 4.43Å; N119-I121 PolarHBondContact O-N 3.25Å; I121-E125 HydrophobicContact CG2-CB 4.38Å; I121-L126 HydrophobicContact CG2-CD1 3.92Å; I121-L126 HydrophobicContact CG2-CG 4.06Å
122	S	57	Low	53.7	Low	42 Å²	42	60.4 Å²	60.4	29%	0.294	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-82.9	152.9	178.7	66.1	0	0	0	0	112.5	S124 E125 L126	S122-S124 PolarHBondContact O-N 3.33Å; S122-S124 PolarHBondContact OG-OG 3.48Å; S122-E125 WeakPolarHBondContact CB-OE2 3.43Å; S122-E125 PolarHBondContact N-OE2 3.4Å; S122-E125 PolarHBondContact O-N 3.22Å; S122-E125 VanDerWaalsContact O-N 3.08Å; S122-E125 VanDerWaalsContact OG-CG 3.24Å; S122-E125 WeakPolarHBondContact OG-CG 3.45Å; S122-E125 PolarHBondContact OG-N 2.94Å; S122-E125 PolarHBondContact OG-OE2 2.87Å; S122-L126 PolarHBondContact O-N 3.09Å
123	Y	59	Low	54.5	Low	56 Å²	56	58.4 Å²	58.4	22%	0.22	33%	0.332	C	S	.	.	H	α-helix	trans	-54.3	-37.4	174.2	175.3	-99.7	0	0	0	112.9	L100 F101 E125 L126 K127 F207	L100-Y123 HydrophobicContact CB-CD2 4.11Å; L100-Y123 HydrophobicContact CB-CE2 4.39Å; F101-Y123 HydrophobicContact CD1-CE2 4.46Å; F101-Y123 HydrophobicContact CD2-CE2 4.42Å; F101-Y123 AromaticContact CE1-CE1 3.73Å; F101-Y123 HydrophobicContact CE1-CE1 3.73Å; F101-Y123 AromaticContact CE1-CE2 3.98Å; F101-Y123 HydrophobicContact CE1-CE2 3.98Å; F101-Y123 AromaticContact CE1-CZ 3.45Å; F101-Y123 VanDerWaalsContact CE1-CZ 3.45Å; F101-Y123 AromaticContact CE2-CE2 3.92Å; F101-Y123 HydrophobicContact CE2-CE2 3.92Å; F101-Y123 AromaticContact CE2-CZ 3.91Å; F101-Y123 AromaticContact CZ-CE1 4Å; F101-Y123 HydrophobicContact CZ-CE1 4Å; F101-Y123 AromaticContact CZ-CE2 3.74Å; F101-Y123 HydrophobicContact CZ-CE2 3.74Å; F101-Y123 AromaticContact CZ-CZ 3.26Å; F101-Y123 WeakPolarHBondContact CZ-OH 3.34Å; Y123-E125 PolarHBondContact O-N 2.73Å; Y123-L126 PolarHBondContact O-N 3.32Å; Y123-K127 HydrophobicContact CE1-CD 4.13Å; Y123-K127 WeakPolarHBondContact O-CB 3.45Å; Y123-K127 PolarHBondContact O-N 2.91Å; Y123-F207 HydrophobicContact CE2-CE1 4.41Å
124	S	58.9	Low	55.2	Low	74 Å²	74	57.6 Å²	57.6	52%	0.517	33%	0.327	S	S	.	.	H	α-helix	trans	-63.9	-37.1	177.2	41	0	0	0	0	113.3	S122 T128	S122-S124 PolarHBondContact O-N 3.33Å; S122-S124 PolarHBondContact OG-OG 3.48Å; S124-T128 WeakPolarHBondContact O-CB 3.49Å; S124-T128 PolarHBondContact O-N 2.02Å; S124-T128 VanDerWaalsContact O-N 3.1Å; S124-T128 PolarHBondContact O-OG1 3.43Å
125	E	58.3	Low	56	Low	107 Å²	107	57.3 Å²	57.3	50%	0.5	32%	0.323	S	S	.	.	H	α-helix	trans	-71.7	-40.5	178.3	-71.3	163.3	142.3	0	0	111	I121 S122 Y123 T128 A129	I121-E125 HydrophobicContact CG2-CB 4.38Å; S122-E125 WeakPolarHBondContact CB-OE2 3.43Å; S122-E125 PolarHBondContact N-OE2 3.4Å; S122-E125 PolarHBondContact O-N 3.22Å; S122-E125 VanDerWaalsContact O-N 3.08Å; S122-E125 VanDerWaalsContact OG-CG 3.24Å; S122-E125 WeakPolarHBondContact OG-CG 3.45Å; S122-E125 PolarHBondContact OG-N 2.94Å; S122-E125 PolarHBondContact OG-OE2 2.87Å; Y123-E125 PolarHBondContact O-N 2.73Å; E125-T128 PolarHBondContact O-N 3.38Å; E125-A129 PolarHBondContact O-N 2.78Å
126	L	59	Low	56.7	Low	28 Å²	28	62.8 Å²	62.8	15%	0.147	34%	0.343	C	S	.	.	H	α-helix	trans	-60.6	-46.5	172.4	-98.3	151.3	0	0	0	112.3	L100 L113 I121 S122 Y123 T128 A129 V130	L100-L126 HydrophobicContact CD2-CD1 4.29Å; L113-L126 HydrophobicContact CD1-CD1 3.98Å; I121-L126 HydrophobicContact CG2-CD1 3.92Å; I121-L126 HydrophobicContact CG2-CG 4.06Å; S122-L126 PolarHBondContact O-N 3.09Å; Y123-L126 PolarHBondContact O-N 3.32Å; L126-T128 VanDerWaalsContact C-N 3.31Å; L126-T128 PolarHBondContact O-N 3.03Å; L126-A129 PolarHBondContact O-N 2.97Å; L126-V130 WeakPolarHBondContact O-CG2 3.33Å; L126-V130 PolarHBondContact O-N 3.02Å
127	K	61	Low	57.5	Low	35 Å²	35	57.8 Å²	57.8	15%	0.152	33%	0.326	C	S	.	.	H	α-helix	trans	-59.8	-41	176.8	-175.4	177.5	174.7	-174.6	0	112.2	Y123 R131 E198 F207	Y123-K127 HydrophobicContact CE1-CD 4.13Å; Y123-K127 WeakPolarHBondContact O-CB 3.45Å; Y123-K127 PolarHBondContact O-N 2.91Å; K127-R131 PolarHBondContact O-N 3.3Å; K127-R131 VanDerWaalsContact O-N 3.09Å; K127-E198 WeakPolarHBondContact CE-OE1 3.41Å; K127-E198 IonicContact NZ-OE1 3.48Å; K127-E198 PolarHBondContact NZ-OE1 3.1Å; K127-E198 IonicContact NZ-OE2 3.61Å; K127-E198 PolarHBondContact NZ-OE2 3.48Å; K127-F207 HydrophobicContact CB-CD1 4.42Å; K127-F207 HydrophobicContact CB-CE1 3.88Å; K127-F207 HydrophobicContact CG-CD1 4.25Å; K127-F207 HydrophobicContact CG-CE1 4.2Å
128	T	60.8	Low	58.3	Low	87 Å²	87	56.9 Å²	56.9	53%	0.534	32%	0.317	S	S	.	.	H	α-helix	trans	-67.7	-40.6	179.2	-54.5	0	0	0	0	111.6	S124 E125 L126 S132	S124-T128 WeakPolarHBondContact O-CB 3.49Å; S124-T128 PolarHBondContact O-N 2.02Å; S124-T128 VanDerWaalsContact O-N 3.1Å; S124-T128 PolarHBondContact O-OG1 3.43Å; E125-T128 PolarHBondContact O-N 3.38Å; L126-T128 VanDerWaalsContact C-N 3.31Å; L126-T128 PolarHBondContact O-N 3.03Å; T128-S132 WeakPolarHBondContact O-CB 3.2Å; T128-S132 PolarHBondContact O-N 3.14Å; T128-S132 PolarHBondContact O-OG 3.1Å
129	A	58.6	Low	59	Low	6 Å²	6	58.6 Å²	58.6	5%	0.05	33%	0.326	C	S	.	.	H	α-helix	trans	-66.9	-42.3	177.8	0	0	0	0	0	112.8	E125 L126 S132 S133 L149 S151 V152	E125-A129 PolarHBondContact O-N 2.78Å; L126-A129 PolarHBondContact O-N 2.97Å; A129-S132 PolarHBondContact O-N 2.83Å; A129-S133 PolarHBondContact O-N 3.4Å; A129-S133 PolarHBondContact O-OG 2.98Å; A129-S133 VanDerWaalsContact O-OG 3.04Å; A129-L149 HydrophobicContact CB-CD2 3.86Å; A129-L149 WeakPolarHBondContact O-CD2 3.26Å; A129-S151 PolarHBondContact O-OG 2.8Å; A129-V152 HydrophobicContact CB-CG2 3.51Å
130	V	59.1	Low	59.6	Low	14 Å²	14	58 Å²	58	9%	0.085	32%	0.322	C	S	.	.	H	α-helix	trans	-65	-42.7	177.1	174.2	0	0	0	0	111.3	L126 S132 S133 M134 L149 F207	L126-V130 WeakPolarHBondContact O-CG2 3.33Å; L126-V130 PolarHBondContact O-N 3.02Å; V130-S132 PolarHBondContact O-N 3.03Å; V130-S133 PolarHBondContact O-N 3.42Å; V130-M134 HydrophobicContact CG1-CE 3.66Å; V130-M134 HydrophobicContact CG1-SD 4.25Å; V130-M134 WeakPolarHBondContact O-CG 3.28Å; V130-M134 PolarHBondContact O-N 3.09Å; V130-L149 HydrophobicContact CG2-CD2 4.31Å; V130-F207 HydrophobicContact CB-CD1 4.2Å; V130-F207 HydrophobicContact CB-CD2 4.1Å; V130-F207 HydrophobicContact CB-CE1 4.43Å; V130-F207 HydrophobicContact CB-CE2 4.31Å; V130-F207 HydrophobicContact CB-CG 4.04Å; V130-F207 HydrophobicContact CB-CZ 4.46Å; V130-F207 HydrophobicContact CG1-CB 3.73Å; V130-F207 HydrophobicContact CG1-CD1 4.2Å; V130-F207 HydrophobicContact CG1-CD2 3.69Å; V130-F207 HydrophobicContact CG1-CE2 4.35Å; V130-F207 HydrophobicContact CG1-CG 3.59Å; V130-F207 HydrophobicContact CG2-CD2 3.92Å; V130-F207 HydrophobicContact CG2-CE1 4.42Å; V130-F207 HydrophobicContact CG2-CE2 3.72Å; V130-F207 HydrophobicContact CG2-CG 4.34Å; V130-F207 HydrophobicContact CG2-CZ 3.98Å
131	R	61.7	Low	59.8	Low	72 Å²	72	55.8 Å²	55.8	27%	0.272	32%	0.318	S	S	.	.	H	α-helix	trans	-58.8	-47.1	173.3	-81.5	-176.3	172.3	163.4	-1	112.3	K127 S133 M134 D135 E198 T210	K127-R131 PolarHBondContact O-N 3.3Å; K127-R131 VanDerWaalsContact O-N 3.09Å; R131-S133 VanDerWaalsContact C-N 3.27Å; R131-S133 PolarHBondContact O-N 3.19Å; R131-M134 WeakPolarHBondContact O-CB 3.43Å; R131-M134 PolarHBondContact O-N 3.01Å; R131-M134 VanDerWaalsContact O-N 3.11Å; R131-D135 PolarHBondContact O-N 2.71Å; R131-E198 IonicContact CZ-OE1 3.59Å; R131-E198 IonicContact NH1-OE1 3.69Å; R131-E198 IonicContact NH2-OE1 2.66Å; R131-E198 PolarHBondContact NH2-OE1 3.35Å; R131-T210 HydrophobicContact CG-CG2 4.36Å
132	S	60.2	Low	60.1	Low	51 Å²	51	56.9 Å²	56.9	36%	0.357	32%	0.324	S	S	.	.	H	α-helix	trans	-60.8	-37.5	179.5	-57.5	0	0	0	0	112.3	T128 A129 V130 D135 Y136 S151	T128-S132 WeakPolarHBondContact O-CB 3.2Å; T128-S132 PolarHBondContact O-N 3.14Å; T128-S132 PolarHBondContact O-OG 3.1Å; A129-S132 PolarHBondContact O-N 2.83Å; V130-S132 PolarHBondContact O-N 3.03Å; S132-D135 PolarHBondContact O-N 3.15Å; S132-Y136 PolarHBondContact O-N 3Å; S132-S151 WeakPolarHBondContact CB-OG 3.25Å
133	S	58.2	Low	59.9	Low	15 Å²	15	58.3 Å²	58.3	11%	0.105	33%	0.328	C	S	.	.	H	α-helix	trans	-70.1	-36.6	175.8	-59.7	0	0	0	0	112.6	A129 V130 R131 Y136 L137 L149	A129-S133 PolarHBondContact O-N 3.4Å; A129-S133 PolarHBondContact O-OG 2.98Å; A129-S133 VanDerWaalsContact O-OG 3.04Å; V130-S133 PolarHBondContact O-N 3.42Å; R131-S133 VanDerWaalsContact C-N 3.27Å; R131-S133 PolarHBondContact O-N 3.19Å; S133-Y136 PolarHBondContact O-N 3.04Å; S133-L137 PolarHBondContact O-N 2.78Å; S133-L149 WeakPolarHBondContact OG-CD2 3.49Å
134	M	60.3	Low	59.3	Low	24 Å²	24	60.2 Å²	60.2	12%	0.118	35%	0.35	C	S	.	.	H	α-helix	trans	-65.7	-40.9	172.9	-71.8	177.8	176.8	0	0	111.7	V130 R131 Y136 L137 S138 F207 L209 T210 I213	V130-M134 HydrophobicContact CG1-CE 3.66Å; V130-M134 HydrophobicContact CG1-SD 4.25Å; V130-M134 WeakPolarHBondContact O-CG 3.28Å; V130-M134 PolarHBondContact O-N 3.09Å; R131-M134 WeakPolarHBondContact O-CB 3.43Å; R131-M134 PolarHBondContact O-N 3.01Å; R131-M134 VanDerWaalsContact O-N 3.11Å; M134-Y136 VanDerWaalsContact C-N 3.32Å; M134-Y136 PolarHBondContact O-N 2.95Å; M134-L137 WeakPolarHBondContact O-CB 3.47Å; M134-L137 PolarHBondContact O-N 3.33Å; M134-S138 PolarHBondContact O-N 2.73Å; M134-F207 HydrophobicContact CE-CB 4.06Å; M134-L209 HydrophobicContact CE-CD2 4.39Å; M134-T210 HydrophobicContact CB-CG2 4.17Å; M134-I213 HydrophobicContact CB-CD1 3.63Å; M134-I213 HydrophobicContact CB-CG1 4.17Å; M134-I213 HydrophobicContact CG-CD1 3.99Å; M134-I213 WeakPolarHBondContact O-CD1 3.28Å; M134-I213 VanDerWaalsContact O-CG1 3.24Å; M134-I213 WeakPolarHBondContact O-CG1 3.4Å
135	D	61.4	Low	58.7	Low	70 Å²	70	59.6 Å²	59.6	37%	0.374	34%	0.343	S	S	.	.	H	α-helix	trans	-67.2	-36.7	177.6	-67.6	-28	0	0	0	111.5	R131 S132 S138 A139 T210	R131-D135 PolarHBondContact O-N 2.71Å; S132-D135 PolarHBondContact O-N 3.15Å; D135-S138 PolarHBondContact O-N 3.05Å; D135-S138 PolarHBondContact O-OG 3.05Å; D135-A139 PolarHBondContact O-N 3.29Å; D135-T210 WeakPolarHBondContact OD1-CB 3.12Å; D135-T210 WeakPolarHBondContact OD1-CG2 3.35Å; D135-T210 PolarHBondContact OD1-OG1 3.34Å
136	Y	63.6	Low	58	Low	144 Å²	144	60.4 Å²	60.4	57%	0.565	35%	0.35	S	S	*	.	H	α-helix	trans	-60.7	-46.6	171.5	-175.7	-92.8	0	0	0	112.7	S132 S133 M134 S138 A139 D140 I147	S132-Y136 PolarHBondContact O-N 3Å; S133-Y136 PolarHBondContact O-N 3.04Å; M134-Y136 VanDerWaalsContact C-N 3.32Å; M134-Y136 PolarHBondContact O-N 2.95Å; Y136-S138 VanDerWaalsContact C-N 3.26Å; Y136-S138 PolarHBondContact O-N 3.35Å; Y136-A139 PolarHBondContact O-N 3.44Å; Y136-A139 VanDerWaalsContact O-N 3.1Å; Y136-D140 PolarHBondContact O-N 3.06Å; Y136-I147 HydrophobicContact CD1-CD1 4.27Å
137	L	59.1	Low	57.1	Low	34 Å²	34	61.7 Å²	61.7	18%	0.178	36%	0.356	C	S	.	.	H	α-helix	trans	-54.5	-41.8	173.2	-89.7	159.8	0	0	0	112.9	S133 M134 A139 D140 G141 I147 I213	S133-L137 PolarHBondContact O-N 2.78Å; M134-L137 WeakPolarHBondContact O-CB 3.47Å; M134-L137 PolarHBondContact O-N 3.33Å; L137-A139 PolarHBondContact O-N 3.02Å; L137-D140 PolarHBondContact O-N 3.49Å; L137-G141 PolarHBondContact O-N 2.9Å; L137-I147 HydrophobicContact CB-CD1 4.35Å; L137-I147 HydrophobicContact CD1-CD1 3.67Å; L137-I147 HydrophobicContact CD2-CD1 3.28Å; L137-I147 HydrophobicContact CG-CD1 3.11Å; L137-I213 HydrophobicContact CB-CD1 3.73Å; L137-I213 HydrophobicContact CD1-CD1 4.1Å
138	S	63.2	Low	56.3	Low	38 Å²	38	67.3 Å²	67.3	27%	0.266	38%	0.378	S	S	.	.	H	α-helix	trans	-65.6	-29	-178.9	81.5	0	0	0	0	112.5	M134 D135 Y136 S212	M134-S138 PolarHBondContact O-N 2.73Å; D135-S138 PolarHBondContact O-N 3.05Å; D135-S138 PolarHBondContact O-OG 3.05Å; Y136-S138 VanDerWaalsContact C-N 3.26Å; Y136-S138 PolarHBondContact O-N 3.35Å; S138-S212 WeakPolarHBondContact OG-CB 3.46Å
139	A	63.3	Low	55.4	Low	89 Å²	89	66.9 Å²	66.9	74%	0.736	37%	0.372	S	S	*	.	H	α-helix	trans	-82.5	-34.5	179.9	0	0	0	0	0	113.2	D135 Y136 L137	D135-A139 PolarHBondContact O-N 3.29Å; Y136-A139 PolarHBondContact O-N 3.44Å; Y136-A139 VanDerWaalsContact O-N 3.1Å; L137-A139 PolarHBondContact O-N 3.02Å
140	D	62.4	Low	54.5	Low	87 Å²	87	73.3 Å²	73.3	47%	0.465	41%	0.405	S	S	.	.	H	α-helix	trans	-84.4	-19.5	-175.9	-161.5	35.3	0	0	0	113.3	Y136 L137 N142	Y136-D140 PolarHBondContact O-N 3.06Å; L137-D140 PolarHBondContact O-N 3.49Å; D140-N142 PolarHBondContact O-N 3.19Å
141	G	57.9	Low	53.6	Low	46 Å²	46	75 Å²	75	47%	0.474	42%	0.418	S	S	.	.			trans	70.1	-4.1	172.8	0	0	0	0	0	116	L137	L137-G141 PolarHBondContact O-N 2.9Å
142	N	58.1	Low	52.6	Low	76 Å²	76	74.6 Å²	74.6	41%	0.406	42%	0.423	S	S	.	.			trans	-106.5	106	176.2	-172.2	2.3	0	0	0	111.6	D140 S144 T145	D140-N142 PolarHBondContact O-N 3.19Å; N142-S144 PolarHBondContact O-N 3.25Å; N142-S144 PolarHBondContact OD1-N 3.35Å; N142-S144 VanDerWaalsContact OD1-N 3.08Å; N142-S144 PolarHBondContact OD1-OG 3.48Å; N142-T145 PolarHBondContact O-OG1 3.18Å; N142-T145 VanDerWaalsContact O-OG1 3.14Å
143	L	53.4	Low	51.7	Low	71 Å²	71	79.1 Å²	79.1	37%	0.372	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-4.4	179	-75.5	158.4	0	0	0	114.2	L216	L143-L216 HydrophobicContact CD1-CD2 4.44Å; L143-L216 HydrophobicContact CD2-CD2 4.44Å; L143-L216 HydrophobicContact CG-CD2 4.32Å
144	S	47.4	Very low	50.7	Low	97 Å²	97	80 Å²	80	68%	0.678	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	-1.9	-178.5	64.1	0	0	0	0	114.3	N142	N142-S144 PolarHBondContact O-N 3.25Å; N142-S144 PolarHBondContact OD1-N 3.35Å; N142-S144 VanDerWaalsContact OD1-N 3.08Å; N142-S144 PolarHBondContact OD1-OG 3.48Å
145	T	46.5	Very low	49.4	Very low	61 Å²	61	85 Å²	85	37%	0.374	49%	0.489	S	S	.	.	S	Bend	trans	-78.3	124.1	-179	-30.9	0	0	0	0	110.4	N142 I147	N142-T145 PolarHBondContact O-OG1 3.18Å; N142-T145 VanDerWaalsContact O-OG1 3.14Å; T145-I147 PolarHBondContact O-N 2.98Å
146	L	42.2	Very low	48.2	Very low	124 Å²	124	85.8 Å²	85.8	65%	0.649	49%	0.491	S	S	*	.			trans	-63	115.6	169.2	-99.3	145.9	0	0	0	108.7
147	I	40.3	Very low	46.8	Very low	54 Å²	54	81.2 Å²	81.2	28%	0.277	48%	0.483	S	S	.	.			trans	-101.8	118.1	178.8	-69.4	166	0	0	0	109	Y136 L137 T145	Y136-I147 HydrophobicContact CD1-CD1 4.27Å; L137-I147 HydrophobicContact CB-CD1 4.35Å; L137-I147 HydrophobicContact CD1-CD1 3.67Å; L137-I147 HydrophobicContact CD2-CD1 3.28Å; L137-I147 HydrophobicContact CG-CD1 3.11Å; T145-I147 PolarHBondContact O-N 2.98Å
148	Y	44.3	Very low	45.6	Very low	154 Å²	154	87.4 Å²	87.4	60%	0.604	51%	0.505	S	S	*	.			trans	-77.7	133.4	161.1	-61.8	-82.8	0	0	0	107	D150	Y148-D150 PolarHBondContact O-N 3.47Å
149	L	41.7	Very low	44.1	Very low	78 Å²	78	90.9 Å²	90.9	41%	0.408	53%	0.527	S	S	.	.			trans	-66.6	73	175.8	-84.1	146.6	0	0	0	109.5	A129 V130 S133 S151	A129-L149 HydrophobicContact CB-CD2 3.86Å; A129-L149 WeakPolarHBondContact O-CD2 3.26Å; V130-L149 HydrophobicContact CG2-CD2 4.31Å; S133-L149 WeakPolarHBondContact OG-CD2 3.49Å; L149-S151 PolarHBondContact O-N 2.86Å
150	D	39.9	Very low	42.7	Very low	140 Å²	140	91.2 Å²	91.2	75%	0.749	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	3.9	-176.3	-75.9	-18	0	0	0	113	Y148	Y148-D150 PolarHBondContact O-N 3.47Å
151	S	40.5	Very low	41.2	Very low	49 Å²	49	91.4 Å²	91.4	34%	0.343	52%	0.524	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100	8.1	-178.6	72.7	0	0	0	0	114.8	A129 S132 L149	A129-S151 PolarHBondContact O-OG 2.8Å; S132-S151 WeakPolarHBondContact CB-OG 3.25Å; L149-S151 PolarHBondContact O-N 2.86Å
152	V	41.4	Very low	40.3	Very low	65 Å²	65	95 Å²	95	39%	0.394	52%	0.524	S	S	.	.			trans	-92.1	95.5	161.6	-176.2	0	0	0	0	106.6	A129 S154	A129-V152 HydrophobicContact CB-CG2 3.51Å; V152-S154 PolarHBondContact O-N 3.17Å
153	T	39.9	Very low	39.1	Very low	145 Å²	145	97.9 Å²	97.9	89%	0.89	53%	0.533	S	S	*	.			trans	-71.7	57.3	177.4	51.8	0	0	0	0	111.9
154	S	37.3	Very low	38.3	Very low	33 Å²	33	99.2 Å²	99.2	23%	0.231	55%	0.548	C	S	.	.			trans	-117	112.7	163.4	-179.9	0	0	0	0	107.2	V152 E156 A157	V152-S154 PolarHBondContact O-N 3.17Å; S154-E156 PolarHBondContact O-N 3Å; S154-A157 PolarHBondContact O-N 3.39Å
155	P	33.8	Very low	37.5	Very low	130 Å²	130	100.4 Å²	100.4	84%	0.844	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	9.6	-173.3	25.2	-31.3	0	0	0	114.2
156	E	35.5	Very low	36.9	Very low	87 Å²	87	102.7 Å²	102.7	41%	0.407	55%	0.552	S	S	.	*	T	Hydrogen-bonded Turn	trans	-139.7	27.1	-173.4	-43.8	-165.8	151.6	0	0	113.4	R116 S154	R116-E156 HydrophobicContact CB-CB 3.55Å; R116-E156 WeakPolarHBondContact CB-O 3.35Å; R116-E156 WeakPolarHBondContact CD-O 3.47Å; R116-E156 HydrophobicContact CG-CB 4.12Å; R116-E156 WeakPolarHBondContact CG-O 3.2Å; R116-E156 PolarHBondContact N-O 3.47Å; R116-E156 VanDerWaalsContact N-O 3.11Å; S154-E156 PolarHBondContact O-N 3Å
157	A	35	Very low	36.4	Very low	48 Å²	48	100 Å²	100	40%	0.397	54%	0.541	S	S	.	.			trans	-85	138	170.4	0	0	0	0	0	111.8	S154	S154-A157 PolarHBondContact O-N 3.39Å
158	Y	33.5	Very low	36.1	Very low	163 Å²	163	101.7 Å²	101.7	64%	0.639	55%	0.549	S	S	*	.			trans	-89.4	139.4	167.9	-82.9	-84.7	0	0	0	109.9	R116 L160	R116-Y158 HydrophobicContact CG-CD2 3.77Å; R116-Y158 HydrophobicContact CG-CE2 3.56Å; R116-Y158 VanDerWaalsContact NE-CZ 3.32Å; R116-Y158 PolarHBondContact NE-OH 3.1Å; R116-Y158 PolarHBondContact NH2-OH 3.12Å; Y158-L160 PolarHBondContact O-N 2.93Å
159	P	32.4	Very low	35.7	Very low	111 Å²	111	99.2 Å²	99.2	72%	0.721	55%	0.554	S	S	*	*			trans	-69.6	104.2	172.1	27.6	-30.8	0	0	0	108.9
160	L	33.3	Very low	35.5	Very low	97 Å²	97	106.1 Å²	106.1	51%	0.508	58%	0.575	S	S	.	*			trans	-73.9	123.7	156.7	-88	150.3	0	0	0	107.1	L113 Y158 Y162	L113-L160 HydrophobicContact CD2-CD1 3.13Å; L113-L160 HydrophobicContact CG-CD1 4.46Å; Y158-L160 PolarHBondContact O-N 2.93Å; L160-Y162 HydrophobicContact CB-CD2 3.68Å; L160-Y162 HydrophobicContact CB-CE2 3.32Å; L160-Y162 HydrophobicContact CD1-CE2 4.03Å; L160-Y162 HydrophobicContact CG-CE2 4.23Å; L160-Y162 WeakPolarHBondContact O-CD2 3.24Å; L160-Y162 PolarHBondContact O-N 3.19Å
161	S	30.3	Very low	35.4	Very low	91 Å²	91	107.6 Å²	107.6	64%	0.636	58%	0.577	S	S	*	*			trans	-56.5	79	171	53	0	0	0	0	110.6	F163	S161-F163 PolarHBondContact O-N 3.3Å
162	Y	39.4	Very low	35.4	Very low	122 Å²	122	110.9 Å²	110.9	48%	0.478	60%	0.6	S	S	.	*			trans	-94.7	87.9	164.7	-69.2	-69	0	0	0	106.6	L113 L160 S164	L113-Y162 HydrophobicContact CD1-CE2 4.34Å; L160-Y162 HydrophobicContact CB-CD2 3.68Å; L160-Y162 HydrophobicContact CB-CE2 3.32Å; L160-Y162 HydrophobicContact CD1-CE2 4.03Å; L160-Y162 HydrophobicContact CG-CE2 4.23Å; L160-Y162 WeakPolarHBondContact O-CD2 3.24Å; L160-Y162 PolarHBondContact O-N 3.19Å; Y162-S164 PolarHBondContact O-N 3.27Å
163	F	33.2	Very low	35.5	Very low	136 Å²	136	116.6 Å²	116.6	60%	0.596	62%	0.622	S	S	*	*			trans	-63.9	103.4	171.9	-63.3	-49.8	0	0	0	109.4	S161 Y165	S161-F163 PolarHBondContact O-N 3.3Å; F163-Y165 VanDerWaalsContact C-N 3.31Å; F163-Y165 HydrophobicContact CB-CD2 3.52Å; F163-Y165 HydrophobicContact CB-CE2 3.85Å; F163-Y165 HydrophobicContact CB-CG 4.26Å; F163-Y165 AromaticContact CD1-CD2 3.45Å; F163-Y165 HydrophobicContact CD1-CD2 3.45Å; F163-Y165 VanDerWaalsContact CD1-CD2 3.45Å; F163-Y165 HydrophobicContact CD1-CE1 4.06Å; F163-Y165 AromaticContact CD1-CE2 2.82Å; F163-Y165 HydrophobicContact CD1-CE2 2.82Å; F163-Y165 HydrophobicContact CD1-CG 4.28Å; F163-Y165 AromaticContact CD1-CZ 3.18Å; F163-Y165 WeakPolarHBondContact CD1-OH 3.42Å; F163-Y165 HydrophobicContact CD2-CD2 4.3Å; F163-Y165 AromaticContact CD2-CE2 3.9Å; F163-Y165 HydrophobicContact CD2-CE2 3.9Å; F163-Y165 HydrophobicContact CE1-CD2 4.18Å; F163-Y165 HydrophobicContact CE1-CE1 4.34Å; F163-Y165 AromaticContact CE1-CE2 3.13Å; F163-Y165 HydrophobicContact CE1-CE2 3.13Å; F163-Y165 AromaticContact CE1-CZ 3.21Å; F163-Y165 WeakPolarHBondContact CE1-OH 3.37Å; F163-Y165 HydrophobicContact CE2-CE2 4.12Å; F163-Y165 AromaticContact CG-CD2 3.49Å; F163-Y165 HydrophobicContact CG-CD2 3.49Å; F163-Y165 VanDerWaalsContact CG-CD2 3.49Å; F163-Y165 AromaticContact CG-CE2 3.25Å; F163-Y165 HydrophobicContact CG-CE2 3.25Å; F163-Y165 AromaticContact CZ-CE2 3.76Å; F163-Y165 HydrophobicContact CZ-CE2 3.76Å
164	S	35.7	Very low	35.8	Very low	98 Å²	98	115.5 Å²	115.5	69%	0.685	62%	0.621	S	S	*	*			trans	-97.1	72.1	143.2	21.1	0	0	0	0	106.7	Y162 V166	Y162-S164 PolarHBondContact O-N 3.27Å; S164-V166 PolarHBondContact O-N 3Å
165	Y	31.8	Very low	36.3	Very low	122 Å²	122	118.4 Å²	118.4	48%	0.478	64%	0.637	S	S	.	*			trans	-74.4	114	166.3	-75.1	-56.5	0	0	0	108.2	F163 T167	F163-Y165 VanDerWaalsContact C-N 3.31Å; F163-Y165 HydrophobicContact CB-CD2 3.52Å; F163-Y165 HydrophobicContact CB-CE2 3.85Å; F163-Y165 HydrophobicContact CB-CG 4.26Å; F163-Y165 AromaticContact CD1-CD2 3.45Å; F163-Y165 HydrophobicContact CD1-CD2 3.45Å; F163-Y165 VanDerWaalsContact CD1-CD2 3.45Å; F163-Y165 HydrophobicContact CD1-CE1 4.06Å; F163-Y165 AromaticContact CD1-CE2 2.82Å; F163-Y165 HydrophobicContact CD1-CE2 2.82Å; F163-Y165 HydrophobicContact CD1-CG 4.28Å; F163-Y165 AromaticContact CD1-CZ 3.18Å; F163-Y165 WeakPolarHBondContact CD1-OH 3.42Å; F163-Y165 HydrophobicContact CD2-CD2 4.3Å; F163-Y165 AromaticContact CD2-CE2 3.9Å; F163-Y165 HydrophobicContact CD2-CE2 3.9Å; F163-Y165 HydrophobicContact CE1-CD2 4.18Å; F163-Y165 HydrophobicContact CE1-CE1 4.34Å; F163-Y165 AromaticContact CE1-CE2 3.13Å; F163-Y165 HydrophobicContact CE1-CE2 3.13Å; F163-Y165 AromaticContact CE1-CZ 3.21Å; F163-Y165 WeakPolarHBondContact CE1-OH 3.37Å; F163-Y165 HydrophobicContact CE2-CE2 4.12Å; F163-Y165 AromaticContact CG-CD2 3.49Å; F163-Y165 HydrophobicContact CG-CD2 3.49Å; F163-Y165 VanDerWaalsContact CG-CD2 3.49Å; F163-Y165 AromaticContact CG-CE2 3.25Å; F163-Y165 HydrophobicContact CG-CE2 3.25Å; F163-Y165 AromaticContact CZ-CE2 3.76Å; F163-Y165 HydrophobicContact CZ-CE2 3.76Å; Y165-T167 HydrophobicContact CD1-CG2 4.37Å; Y165-T167 HydrophobicContact CG-CG2 4.32Å; Y165-T167 PolarHBondContact O-N 3.47Å
166	V	33.5	Very low	37.2	Very low	109 Å²	109	116.5 Å²	116.5	66%	0.661	64%	0.641	S	S	*	*			trans	-89.3	74.7	151.6	179.4	0	0	0	0	106.2	S164 M168	S164-V166 PolarHBondContact O-N 3Å; V166-M168 HydrophobicContact CG1-CG 3.74Å; V166-M168 HydrophobicContact CG1-SD 4.13Å; V166-M168 PolarHBondContact O-N 3.26Å
167	T	31	Very low	38.2	Very low	67 Å²	67	117.1 Å²	117.1	41%	0.411	65%	0.647	S	S	.	*			trans	-76.4	98.5	169.5	37.4	0	0	0	0	108.3	F43 Y165	F43-T167 WeakPolarHBondContact CE2-OG1 2.88Å; F43-T167 HydrophobicContact CZ-CG2 4.12Å; Y165-T167 HydrophobicContact CD1-CG2 4.37Å; Y165-T167 HydrophobicContact CG-CG2 4.32Å; Y165-T167 PolarHBondContact O-N 3.47Å
168	M	34.5	Very low	39.6	Very low	90 Å²	90	115.9 Å²	115.9	44%	0.443	64%	0.635	S	S	.	*			trans	-102.6	102.2	167.6	-61.8	-161.9	74.2	0	0	108.8	V166 R170 F185 V221 I225	V166-M168 HydrophobicContact CG1-CG 3.74Å; V166-M168 HydrophobicContact CG1-SD 4.13Å; V166-M168 PolarHBondContact O-N 3.26Å; M168-R170 PolarHBondContact O-N 2.97Å; M168-F185 HydrophobicContact CE-CZ 4.4Å; M168-V221 HydrophobicContact CE-CG1 3.28Å; M168-V221 HydrophobicContact SD-CB 4.07Å; M168-V221 HydrophobicContact SD-CG1 3.28Å; M168-V221 WeakPolarHBondContact SD-CG1 3.48Å; M168-V221 HydrophobicContact SD-CG2 3.6Å; M168-I225 HydrophobicContact CE-CD1 3.6Å
169	S	35.1	Very low	41.1	Very low	103 Å²	103	112.3 Å²	112.3	72%	0.72	63%	0.63	S	S	*	*			trans	-69.1	120.2	170.7	178.7	0	0	0	0	109	Q171	S169-Q171 PolarHBondContact O-N 3.47Å; S169-Q171 VanDerWaalsContact O-N 3.1Å
170	R	38.1	Very low	42.4	Very low	223 Å²	223	109.7 Å²	109.7	84%	0.842	62%	0.618	S	S	*	*			trans	-82.7	70.8	171.6	-165.2	-176.7	-170.3	179.1	4.7	108.8	M168	M168-R170 PolarHBondContact O-N 2.97Å
171	Q	37.7	Very low	43.8	Very low	171 Å²	171	107.8 Å²	107.8	80%	0.799	61%	0.608	S	S	*	*			trans	-130.2	116.7	164.5	-77.6	-165	-23	0	0	110.6	S169 E173	S169-Q171 PolarHBondContact O-N 3.47Å; S169-Q171 VanDerWaalsContact O-N 3.1Å; Q171-E173 PolarHBondContact O-N 2.98Å
172	S	41.7	Very low	45.6	Very low	117 Å²	117	103.8 Å²	103.8	82%	0.818	58%	0.58	S	S	*	*			trans	-67.9	112.8	173.4	57.9	0	0	0	0	109.5
173	E	41.9	Very low	46.7	Very low	185 Å²	185	103.6 Å²	103.6	86%	0.864	58%	0.583	S	S	*	*			trans	-162.6	133.3	145.7	-107.3	164.5	-148.8	0	0	107.9	Q171 T175	Q171-E173 PolarHBondContact O-N 2.98Å; E173-T175 PolarHBondContact O-N 3.38Å
174	S	46.2	Very low	48.1	Very low	122 Å²	122	102.2 Å²	102.2	85%	0.853	58%	0.577	S	S	*	*			trans	-50.2	112.1	-165.4	54.2	0	0	0	0	114.1
175	T	49.3	Very low	49.5	Very low	95 Å²	95	98.7 Å²	98.7	58%	0.583	55%	0.55	S	S	*	.			trans	-81.4	116.7	170	50.2	0	0	0	0	110.1	E173 D177	E173-T175 PolarHBondContact O-N 3.38Å; T175-D177 PolarHBondContact O-N 3.05Å
176	G	51.7	Low	51.1	Low	89 Å²	89	93.1 Å²	93.1	92%	0.918	53%	0.529	S	S	*	.	S	Bend	trans	-72.9	19.9	-169.3	0	0	0	0	0	118.2
177	D	57.8	Low	52.4	Low	100 Å²	100	91.9 Å²	91.9	54%	0.535	52%	0.515	S	S	.	.			trans	-143.3	89.7	168.2	-162.4	-8.3	0	0	0	111.1	T175 V179	T175-D177 PolarHBondContact O-N 3.05Å; D177-V179 PolarHBondContact O-N 3.21Å; D177-V179 PolarHBondContact OD1-N 2.7Å
178	C	63.9	Low	53.7	Low	23 Å²	23	91.8 Å²	91.8	16%	0.155	51%	0.509	C	S	.	.	H	α-helix	trans	-66.8	-22.7	178.4	-67.2	0	0	0	0	112.6	L181 V182 C227	C178-L181 PolarHBondContact O-N 3.44Å; C178-V182 WeakPolarHBondContact O-CB 3.18Å; C178-V182 WeakPolarHBondContact O-CG2 3.34Å; C178-V182 PolarHBondContact O-N 3.48Å; C178-C227 WeakPolarHBondContact CA-SG 3.41Å; C178-C227 HydrophobicContact CB-CB 3.93Å; C178-C227 WeakPolarHBondContact CB-SG 3.43Å; C178-C227 WeakPolarHBondContact SG-CB 3.21Å; C178-C227 CovalentContact SG-SG 2.02Å; C178-C227 PolarHBondContact SG-SG 3.32Å
179	V	64.6	Low	55.1	Low	87 Å²	87	88.1 Å²	88.1	53%	0.527	49%	0.491	S	S	.	.	H	α-helix	trans	-69.8	-50.4	-170.4	-179.8	0	0	0	0	110.5	D177 L181 V182 E183	D177-V179 PolarHBondContact O-N 3.21Å; D177-V179 PolarHBondContact OD1-N 2.7Å; V179-L181 PolarHBondContact O-N 3.02Å; V179-V182 PolarHBondContact O-N 3.08Å; V179-E183 HydrophobicContact CG1-CG 4.33Å; V179-E183 WeakPolarHBondContact O-CB 3.25Å; V179-E183 WeakPolarHBondContact O-CG 3.36Å; V179-E183 PolarHBondContact O-N 2.93Å
180	A	60	Low	56.3	Low	57 Å²	57	85.7 Å²	85.7	47%	0.471	47%	0.47	S	S	.	.	H	α-helix	trans	-61.9	-33.5	179.3	0	0	0	0	0	112.6	F184	A180-F184 VanDerWaalsContact O-CB 3.28Å; A180-F184 WeakPolarHBondContact O-CB 3.06Å; A180-F184 PolarHBondContact O-N 2.92Å
181	L	63.1	Low	57.1	Low	56 Å²	56	76.7 Å²	76.7	29%	0.293	44%	0.441	S	S	.	.	H	α-helix	trans	-73.4	-43.7	179.9	-146	122.4	0	0	0	111.1	C178 V179 F184 F185 I225 L232	C178-L181 PolarHBondContact O-N 3.44Å; V179-L181 PolarHBondContact O-N 3.02Å; L181-F184 PolarHBondContact O-N 2.75Å; L181-F185 HydrophobicContact CD2-CD2 4.18Å; L181-F185 HydrophobicContact CD2-CE2 3.95Å; L181-F185 HydrophobicContact CG-CE2 4.36Å; L181-F185 VanDerWaalsContact O-CD2 3.25Å; L181-F185 WeakPolarHBondContact O-CD2 3.33Å; L181-F185 PolarHBondContact O-N 2.66Å; L181-I225 HydrophobicContact CD2-CG2 4.5Å; L181-L232 HydrophobicContact CD2-CD1 3.63Å; L181-L232 HydrophobicContact CD2-CD2 3.53Å; L181-L232 HydrophobicContact CD2-CG 4.24Å
182	V	67.3	Low	57.8	Low	8 Å²	8	73.9 Å²	73.9	5%	0.048	43%	0.43	C	S	.	.	H	α-helix	trans	-65.9	-42.6	174.7	178.6	0	0	0	0	110.7	C178 V179 F184 F185 A186 L232 L235 V236 I239	C178-V182 WeakPolarHBondContact O-CB 3.18Å; C178-V182 WeakPolarHBondContact O-CG2 3.34Å; C178-V182 PolarHBondContact O-N 3.48Å; V179-V182 PolarHBondContact O-N 3.08Å; V182-F184 PolarHBondContact O-N 3.23Å; V182-F185 PolarHBondContact O-N 3.37Å; V182-A186 VanDerWaalsContact O-CB 3.24Å; V182-A186 WeakPolarHBondContact O-CB 3.01Å; V182-A186 PolarHBondContact O-N 3.08Å; V182-L232 HydrophobicContact CG2-CD1 3.57Å; V182-L235 HydrophobicContact CG1-CB 4.14Å; V182-L235 HydrophobicContact CG2-CB 3.85Å; V182-L235 HydrophobicContact CG2-CD1 4.16Å; V182-V236 HydrophobicContact CB-CG2 4.45Å; V182-V236 HydrophobicContact CG1-CB 4.48Å; V182-V236 HydrophobicContact CG1-CG2 3.82Å; V182-I239 HydrophobicContact CB-CD1 4.41Å; V182-I239 HydrophobicContact CG1-CD1 3.44Å; V182-I239 VanDerWaalsContact CG1-CD1 3.44Å; V182-I239 HydrophobicContact CG1-CG1 4.15Å
183	E	63.1	Low	58.6	Low	117 Å²	117	72.5 Å²	72.5	55%	0.547	41%	0.414	S	S	.	.	H	α-helix	trans	-61.6	-41.9	176.1	-76.1	-179.8	173.3	0	0	112.1	V179 F185 A186 F187	V179-E183 HydrophobicContact CG1-CG 4.33Å; V179-E183 WeakPolarHBondContact O-CB 3.25Å; V179-E183 WeakPolarHBondContact O-CG 3.36Å; V179-E183 PolarHBondContact O-N 2.93Å; E183-F185 PolarHBondContact O-N 3.4Å; E183-A186 PolarHBondContact O-N 3.05Å; E183-F187 WeakPolarHBondContact O-CB 3.44Å; E183-F187 PolarHBondContact O-N 2.87Å
184	F	63.1	Low	59.4	Low	108 Å²	108	70.7 Å²	70.7	47%	0.474	41%	0.405	S	S	.	.	H	α-helix	trans	-60.3	-46.3	176.7	176.4	-98.1	0	0	0	112	A180 L181 V182 F188	A180-F184 VanDerWaalsContact O-CB 3.28Å; A180-F184 WeakPolarHBondContact O-CB 3.06Å; A180-F184 PolarHBondContact O-N 2.92Å; L181-F184 PolarHBondContact O-N 2.75Å; V182-F184 PolarHBondContact O-N 3.23Å; F184-F188 HydrophobicContact CD1-CD2 4.48Å; F184-F188 HydrophobicContact CD2-CD2 4.29Å; F184-F188 HydrophobicContact CD2-CE2 4.43Å; F184-F188 AromaticContact CE1-CD2 3.98Å; F184-F188 HydrophobicContact CE1-CD2 3.98Å; F184-F188 HydrophobicContact CE1-CE2 4.17Å; F184-F188 AromaticContact CE2-CD2 3.76Å; F184-F188 HydrophobicContact CE2-CD2 3.76Å; F184-F188 AromaticContact CE2-CE2 3.52Å; F184-F188 HydrophobicContact CE2-CE2 3.52Å; F184-F188 AromaticContact CZ-CD2 3.59Å; F184-F188 HydrophobicContact CZ-CD2 3.59Å; F184-F188 AromaticContact CZ-CE2 3.36Å; F184-F188 HydrophobicContact CZ-CE2 3.36Å; F184-F188 HydrophobicContact CZ-CZ 4.22Å; F184-F188 WeakPolarHBondContact O-CB 3.49Å; F184-F188 PolarHBondContact O-N 3.14Å
185	F	65.1	Low	60	Low	24 Å²	24	70.9 Å²	70.9	11%	0.105	39%	0.393	C	S	.	.	H	α-helix	trans	-76.7	-32.8	180	-77.6	-69.6	0	0	0	113.2	M168 L181 V182 E183 F187 F188 L189 V221 L222 L232 V236	M168-F185 HydrophobicContact CE-CZ 4.4Å; L181-F185 HydrophobicContact CD2-CD2 4.18Å; L181-F185 HydrophobicContact CD2-CE2 3.95Å; L181-F185 HydrophobicContact CG-CE2 4.36Å; L181-F185 VanDerWaalsContact O-CD2 3.25Å; L181-F185 WeakPolarHBondContact O-CD2 3.33Å; L181-F185 PolarHBondContact O-N 2.66Å; V182-F185 PolarHBondContact O-N 3.37Å; E183-F185 PolarHBondContact O-N 3.4Å; F185-F187 VanDerWaalsContact C-N 3.34Å; F185-F188 PolarHBondContact O-N 3.4Å; F185-L189 VanDerWaalsContact O-CB 3.26Å; F185-L189 WeakPolarHBondContact O-CB 3.45Å; F185-L189 WeakPolarHBondContact O-CG 3.29Å; F185-L189 PolarHBondContact O-N 2.88Å; F185-V221 HydrophobicContact CE1-CG1 4.45Å; F185-V221 HydrophobicContact CZ-CG1 4.21Å; F185-L222 HydrophobicContact CB-CD2 3.83Å; F185-L222 HydrophobicContact CD1-CD2 3.41Å; F185-L222 VanDerWaalsContact CD1-CD2 3.41Å; F185-L222 HydrophobicContact CD1-CG 4.36Å; F185-L222 HydrophobicContact CD2-CD2 3.91Å; F185-L222 HydrophobicContact CE1-CD2 3.8Å; F185-L222 HydrophobicContact CE2-CD2 4.26Å; F185-L222 HydrophobicContact CG-CD2 3.45Å; F185-L222 VanDerWaalsContact CG-CD2 3.45Å; F185-L222 HydrophobicContact CZ-CD2 4.2Å; F185-L232 HydrophobicContact CD2-CD2 3.54Å; F185-L232 HydrophobicContact CE2-CD2 3.73Å; F185-L232 HydrophobicContact CG-CD2 4.35Å; F185-V236 HydrophobicContact CB-CG2 3.82Å
186	A	64.5	Low	60.3	Low	5 Å²	5	70.2 Å²	70.2	4%	0.041	39%	0.385	C	S	.	.	H	α-helix	trans	-61.1	-45.6	169.8	0	0	0	0	0	110.7	V182 E183 F188 L189 N190 V236 I239 I240	V182-A186 VanDerWaalsContact O-CB 3.24Å; V182-A186 WeakPolarHBondContact O-CB 3.01Å; V182-A186 PolarHBondContact O-N 3.08Å; E183-A186 PolarHBondContact O-N 3.05Å; A186-F188 PolarHBondContact O-N 2.82Å; A186-L189 PolarHBondContact O-N 3.21Å; A186-N190 WeakPolarHBondContact O-CB 3.49Å; A186-N190 PolarHBondContact O-N 3.36Å; A186-V236 HydrophobicContact CB-CG1 4.05Å; A186-I239 HydrophobicContact CB-CG2 4.38Å; A186-I240 HydrophobicContact CB-CG1 4.44Å
187	F	61.3	Low	60.6	Low	82 Å²	82	66.9 Å²	66.9	36%	0.36	35%	0.348	S	S	.	.	H	α-helix	trans	-59.8	-45	175.1	176.9	-95.7	0	0	0	112.4	E183 F185 F200 F204	E183-F187 WeakPolarHBondContact O-CB 3.44Å; E183-F187 PolarHBondContact O-N 2.87Å; F185-F187 VanDerWaalsContact C-N 3.34Å; F187-F200 HydrophobicContact CE2-CD1 4.11Å; F187-F200 HydrophobicContact CE2-CE1 4.46Å; F187-F200 HydrophobicContact CZ-CD1 4.25Å; F187-F204 AromaticContact CE1-CD2 3.74Å; F187-F204 HydrophobicContact CE1-CD2 3.74Å; F187-F204 AromaticContact CE1-CE2 3.73Å; F187-F204 HydrophobicContact CE1-CE2 3.73Å; F187-F204 HydrophobicContact CE1-CG 4.28Å; F187-F204 HydrophobicContact CE1-CZ 4.2Å; F187-F204 HydrophobicContact CE2-CD2 4.25Å; F187-F204 AromaticContact CE2-CE2 3.5Å; F187-F204 HydrophobicContact CE2-CE2 3.5Å; F187-F204 VanDerWaalsContact CE2-CE2 3.5Å; F187-F204 AromaticContact CE2-CZ 3.95Å; F187-F204 HydrophobicContact CE2-CZ 3.95Å; F187-F204 AromaticContact CZ-CD2 3.27Å; F187-F204 HydrophobicContact CZ-CD2 3.27Å; F187-F204 AromaticContact CZ-CE2 2.95Å; F187-F204 HydrophobicContact CZ-CE2 2.95Å; F187-F204 HydrophobicContact CZ-CG 4.21Å; F187-F204 AromaticContact CZ-CZ 3.65Å; F187-F204 HydrophobicContact CZ-CZ 3.65Å
188	F	58.3	Low	60.7	Low	65 Å²	65	65.5 Å²	65.5	29%	0.285	34%	0.338	S	S	.	.	H	α-helix	trans	-69.6	-35.1	178.7	-109.2	-91.6	0	0	0	113.7	F184 F185 A186 S191 L206 L209	F184-F188 HydrophobicContact CD1-CD2 4.48Å; F184-F188 HydrophobicContact CD2-CD2 4.29Å; F184-F188 HydrophobicContact CD2-CE2 4.43Å; F184-F188 AromaticContact CE1-CD2 3.98Å; F184-F188 HydrophobicContact CE1-CD2 3.98Å; F184-F188 HydrophobicContact CE1-CE2 4.17Å; F184-F188 AromaticContact CE2-CD2 3.76Å; F184-F188 HydrophobicContact CE2-CD2 3.76Å; F184-F188 AromaticContact CE2-CE2 3.52Å; F184-F188 HydrophobicContact CE2-CE2 3.52Å; F184-F188 AromaticContact CZ-CD2 3.59Å; F184-F188 HydrophobicContact CZ-CD2 3.59Å; F184-F188 AromaticContact CZ-CE2 3.36Å; F184-F188 HydrophobicContact CZ-CE2 3.36Å; F184-F188 HydrophobicContact CZ-CZ 4.22Å; F184-F188 WeakPolarHBondContact O-CB 3.49Å; F184-F188 PolarHBondContact O-N 3.14Å; F185-F188 PolarHBondContact O-N 3.4Å; A186-F188 PolarHBondContact O-N 2.82Å; F188-S191 PolarHBondContact O-OG 3.17Å; F188-L206 HydrophobicContact CE2-CD1 4.13Å; F188-L206 HydrophobicContact CZ-CD1 3.69Å; F188-L209 HydrophobicContact CD1-CD1 4.22Å
189	L	62.4	Low	60.5	Low	14 Å²	14	73 Å²	73	7%	0.073	36%	0.363	C	S	.	.	H	α-helix	trans	-88.1	-26.6	-175.1	-70.1	172.8	0	0	0	114.7	F185 A186 I192 K214 L222 V236 I240	F185-L189 VanDerWaalsContact O-CB 3.26Å; F185-L189 WeakPolarHBondContact O-CB 3.45Å; F185-L189 WeakPolarHBondContact O-CG 3.29Å; F185-L189 PolarHBondContact O-N 2.88Å; A186-L189 PolarHBondContact O-N 3.21Å; L189-I192 VanDerWaalsContact O-CD1 3.29Å; L189-I192 WeakPolarHBondContact O-CD1 2.99Å; L189-I192 WeakPolarHBondContact O-CG1 3.39Å; L189-K214 HydrophobicContact CD2-CD 4.42Å; L189-K214 HydrophobicContact CD2-CG 3.97Å; L189-K214 PolarHBondContact O-NZ 3.47Å; L189-L222 HydrophobicContact CD1-CD1 3.13Å; L189-L222 HydrophobicContact CD2-CD1 3.96Å; L189-L222 HydrophobicContact CG-CD1 3.97Å; L189-V236 HydrophobicContact CD1-CG1 3.66Å; L189-I240 HydrophobicContact CB-CD1 4.41Å
190	N	60.2	Low	60.1	Low	51 Å²	51	73.1 Å²	73.1	27%	0.273	36%	0.357	S	S	.	.	S	Bend	trans	-86.3	-1.7	-171.8	-154.9	20.5	0	0	0	114.2	A186 I192 I240	A186-N190 WeakPolarHBondContact O-CB 3.49Å; A186-N190 PolarHBondContact O-N 3.36Å; N190-I192 PolarHBondContact O-N 2.87Å; N190-I240 HydrophobicContact CB-CD1 4.24Å; N190-I240 HydrophobicContact CB-CG1 4.18Å
191	S	56.5	Low	60	Low	34 Å²	34	71 Å²	71	24%	0.238	34%	0.34	C	S	.	.			trans	-79	27.7	-177.6	55.6	0	0	0	0	115.2	F188 D193 S197	F188-S191 PolarHBondContact O-OG 3.17Å; S191-D193 VanDerWaalsContact C-N 3.29Å; S191-D193 PolarHBondContact O-N 2.96Å; S191-S197 WeakPolarHBondContact O-CA 3.47Å; S191-S197 WeakPolarHBondContact O-CB 3.02Å; S191-S197 PolarHBondContact O-N 2.9Å; S191-S197 VanDerWaalsContact O-N 3.12Å
192	I	52.8	Low	59.7	Low	112 Å²	112	69.2 Å²	69.2	57%	0.574	34%	0.335	S	S	*	.			trans	-81.3	35.3	-158.2	-32.9	166.6	0	0	0	115.8	L189 N190	L189-I192 VanDerWaalsContact O-CD1 3.29Å; L189-I192 WeakPolarHBondContact O-CD1 2.99Å; L189-I192 WeakPolarHBondContact O-CG1 3.39Å; N190-I192 PolarHBondContact O-N 2.87Å
193	D	57.5	Low	59	Low	88 Å²	88	74.7 Å²	74.7	47%	0.471	36%	0.355	S	S	.	.	S	Bend	trans	-106.1	138.5	153.9	-163.1	-15.6	0	0	0	106.8	S191 E195 L196 S197	S191-D193 VanDerWaalsContact C-N 3.29Å; S191-D193 PolarHBondContact O-N 2.96Å; D193-E195 PolarHBondContact O-N 3.38Å; D193-E195 VanDerWaalsContact O-N 3.14Å; D193-L196 HydrophobicContact CB-CB 3.83Å; D193-L196 HydrophobicContact CB-CD1 3.75Å; D193-L196 HydrophobicContact CB-CG 4.24Å; D193-L196 PolarHBondContact O-N 3.46Å; D193-L196 VanDerWaalsContact O-N 3.08Å; D193-S197 WeakPolarHBondContact O-CB 3.33Å; D193-S197 PolarHBondContact O-N 2.91Å; D193-S197 PolarHBondContact O-OG 3.01Å
194	E	58.4	Low	58.4	Low	147 Å²	147	71.6 Å²	71.6	69%	0.687	34%	0.34	S	S	*	.	H	α-helix	trans	-57.9	-32.9	-179.3	-145.2	176	-166.1	0	0	109.9	S197 E198	E194-S197 PolarHBondContact O-OG 2.98Å; E194-E198 WeakPolarHBondContact O-CB 3.42Å; E194-E198 VanDerWaalsContact O-CG 3.24Å; E194-E198 WeakPolarHBondContact O-CG 3.33Å; E194-E198 PolarHBondContact O-N 3.26Å
195	E	58.4	Low	57.8	Low	126 Å²	126	68.7 Å²	68.7	59%	0.589	33%	0.33	S	S	*	.	H	α-helix	trans	-77	-38.9	175	-161.6	179.3	170.6	0	0	113.5	D193 R199	D193-E195 PolarHBondContact O-N 3.38Å; D193-E195 VanDerWaalsContact O-N 3.14Å; E195-R199 PolarHBondContact O-N 2.91Å
196	L	55.8	Low	57.2	Low	82 Å²	82	71.4 Å²	71.4	43%	0.429	35%	0.345	S	S	.	.	H	α-helix	trans	-72.7	-41	176.5	-85.5	143.6	0	0	0	112.1	D193 E198 R199 F200	D193-L196 HydrophobicContact CB-CB 3.83Å; D193-L196 HydrophobicContact CB-CD1 3.75Å; D193-L196 HydrophobicContact CB-CG 4.24Å; D193-L196 PolarHBondContact O-N 3.46Å; D193-L196 VanDerWaalsContact O-N 3.08Å; L196-E198 VanDerWaalsContact C-N 3.3Å; L196-E198 PolarHBondContact O-N 2.77Å; L196-R199 PolarHBondContact O-N 3.4Å; L196-F200 HydrophobicContact CB-CD2 4.43Å; L196-F200 HydrophobicContact CD2-CD2 3.87Å; L196-F200 HydrophobicContact CD2-CE2 3.57Å; L196-F200 WeakPolarHBondContact O-CB 3.26Å; L196-F200 WeakPolarHBondContact O-CD2 3.31Å; L196-F200 PolarHBondContact O-N 3.47Å
197	S	58.6	Low	57	Low	19 Å²	19	73.5 Å²	73.5	13%	0.133	35%	0.353	C	S	.	.	H	α-helix	trans	-60.1	-41.3	174.6	62.1	0	0	0	0	110.9	S191 D193 E194 A201	S191-S197 WeakPolarHBondContact O-CA 3.47Å; S191-S197 WeakPolarHBondContact O-CB 3.02Å; S191-S197 PolarHBondContact O-N 2.9Å; S191-S197 VanDerWaalsContact O-N 3.12Å; D193-S197 WeakPolarHBondContact O-CB 3.33Å; D193-S197 PolarHBondContact O-N 2.91Å; D193-S197 PolarHBondContact O-OG 3.01Å; E194-S197 PolarHBondContact O-OG 2.98Å; S197-A201 WeakPolarHBondContact O-CA 3.12Å; S197-A201 WeakPolarHBondContact O-CB 3.41Å; S197-A201 PolarHBondContact O-N 3.34Å
198	E	60.2	Low	57	Low	70 Å²	70	70.5 Å²	70.5	33%	0.327	34%	0.342	S	S	.	.	H	α-helix	trans	-66.2	-43.1	174.3	-78.5	-169.8	178.6	0	0	112.4	K127 R131 E194 L196 G202 P208	K127-E198 WeakPolarHBondContact CE-OE1 3.41Å; K127-E198 IonicContact NZ-OE1 3.48Å; K127-E198 PolarHBondContact NZ-OE1 3.1Å; K127-E198 IonicContact NZ-OE2 3.61Å; K127-E198 PolarHBondContact NZ-OE2 3.48Å; R131-E198 IonicContact CZ-OE1 3.59Å; R131-E198 IonicContact NH1-OE1 3.69Å; R131-E198 IonicContact NH2-OE1 2.66Å; R131-E198 PolarHBondContact NH2-OE1 3.35Å; E194-E198 WeakPolarHBondContact O-CB 3.42Å; E194-E198 VanDerWaalsContact O-CG 3.24Å; E194-E198 WeakPolarHBondContact O-CG 3.33Å; E194-E198 PolarHBondContact O-N 3.26Å; L196-E198 VanDerWaalsContact C-N 3.3Å; L196-E198 PolarHBondContact O-N 2.77Å; E198-G202 PolarHBondContact O-N 2.64Å; E198-P208 HydrophobicContact CG-CG 4.14Å
199	R	58.3	Low	57.3	Low	181 Å²	181	70.5 Å²	70.5	68%	0.683	34%	0.344	S	S	*	.	H	α-helix	trans	-65	-43.5	175.8	-86.9	-174.4	176.1	178.6	4.4	112.8	E195 L196 G202 Y203	E195-R199 PolarHBondContact O-N 2.91Å; L196-R199 PolarHBondContact O-N 3.4Å; R199-G202 PolarHBondContact O-N 2.86Å; R199-Y203 PolarHBondContact O-N 2.8Å
200	F	58.1	Low	57.4	Low	89 Å²	89	70.8 Å²	70.8	39%	0.39	35%	0.347	S	S	.	.	H	α-helix	trans	-75.5	-44	-178.5	-89.6	-76.4	0	0	0	112	F187 L196 G202 Y203 F204	F187-F200 HydrophobicContact CE2-CD1 4.11Å; F187-F200 HydrophobicContact CE2-CE1 4.46Å; F187-F200 HydrophobicContact CZ-CD1 4.25Å; L196-F200 HydrophobicContact CB-CD2 4.43Å; L196-F200 HydrophobicContact CD2-CD2 3.87Å; L196-F200 HydrophobicContact CD2-CE2 3.57Å; L196-F200 WeakPolarHBondContact O-CB 3.26Å; L196-F200 WeakPolarHBondContact O-CD2 3.31Å; L196-F200 PolarHBondContact O-N 3.47Å; F200-G202 PolarHBondContact O-N 3.1Å; F200-Y203 WeakPolarHBondContact O-CA 3.15Å; F200-Y203 VanDerWaalsContact O-CB 3.3Å; F200-Y203 WeakPolarHBondContact O-CB 3.13Å; F200-Y203 PolarHBondContact O-N 3.08Å; F200-F204 HydrophobicContact CD1-CE2 4.42Å; F200-F204 WeakPolarHBondContact O-CD2 3.01Å; F200-F204 PolarHBondContact O-N 3.05Å; F200-F204 VanDerWaalsContact O-N 3.09Å
201	A	57	Low	57.8	Low	14 Å²	14	74.6 Å²	74.6	12%	0.116	37%	0.366	C	S	.	.	H	α-helix	trans	-59.5	-36.4	170.9	0	0	0	0	0	110.3	S197 F204 N205 L206 P208	S197-A201 WeakPolarHBondContact O-CA 3.12Å; S197-A201 WeakPolarHBondContact O-CB 3.41Å; S197-A201 PolarHBondContact O-N 3.34Å; A201-F204 CarbonylContact O-C 3.37Å; A201-F204 PolarHBondContact O-N 3.24Å; A201-N205 CarbonylContact O-C 3.51Å; A201-N205 WeakPolarHBondContact O-CA 3.47Å; A201-N205 PolarHBondContact O-N 3.26Å; A201-L206 CarbonylContact C-O 3.58Å; A201-L206 WeakPolarHBondContact CB-O 3.39Å; A201-L206 PolarHBondContact O-N 3.09Å; A201-P208 HydrophobicContact CB-CB 4.02Å; A201-P208 HydrophobicContact CB-CG 4.35Å
202	G	56.2	Low	58.2	Low	18 Å²	18	76 Å²	76	19%	0.186	38%	0.376	C	S	.	.	H	α-helix	trans	-58.6	-44	168.1	0	0	0	0	0	113.7	E198 R199 F200 F204 N205	E198-G202 PolarHBondContact O-N 2.64Å; R199-G202 PolarHBondContact O-N 2.86Å; F200-G202 PolarHBondContact O-N 3.1Å; G202-F204 VanDerWaalsContact C-N 3.3Å; G202-F204 PolarHBondContact O-N 3.38Å; G202-N205 PolarHBondContact O-N 3.14Å
203	Y	53.8	Low	58.9	Low	123 Å²	123	71.1 Å²	71.1	48%	0.482	35%	0.351	S	S	.	.	H	α-helix	trans	-60.2	-38.3	177.4	-165.3	-89.4	0	0	0	112.8	R199 F200	R199-Y203 PolarHBondContact O-N 2.8Å; F200-Y203 WeakPolarHBondContact O-CA 3.15Å; F200-Y203 VanDerWaalsContact O-CB 3.3Å; F200-Y203 WeakPolarHBondContact O-CB 3.13Å; F200-Y203 PolarHBondContact O-N 3.08Å
204	F	49.5	Very low	59.3	Low	51 Å²	51	68.8 Å²	68.8	22%	0.224	34%	0.337	C	S	.	.	H	α-helix	trans	-95.6	2.9	179.1	-68.1	-84.9	0	0	0	114	I35 F187 F200 A201 G202 L206	I35-F204 HydrophobicContact CD1-CD1 3.71Å; I35-F204 HydrophobicContact CD1-CE1 3.96Å; F187-F204 AromaticContact CE1-CD2 3.74Å; F187-F204 HydrophobicContact CE1-CD2 3.74Å; F187-F204 AromaticContact CE1-CE2 3.73Å; F187-F204 HydrophobicContact CE1-CE2 3.73Å; F187-F204 HydrophobicContact CE1-CG 4.28Å; F187-F204 HydrophobicContact CE1-CZ 4.2Å; F187-F204 HydrophobicContact CE2-CD2 4.25Å; F187-F204 AromaticContact CE2-CE2 3.5Å; F187-F204 HydrophobicContact CE2-CE2 3.5Å; F187-F204 VanDerWaalsContact CE2-CE2 3.5Å; F187-F204 AromaticContact CE2-CZ 3.95Å; F187-F204 HydrophobicContact CE2-CZ 3.95Å; F187-F204 AromaticContact CZ-CD2 3.27Å; F187-F204 HydrophobicContact CZ-CD2 3.27Å; F187-F204 AromaticContact CZ-CE2 2.95Å; F187-F204 HydrophobicContact CZ-CE2 2.95Å; F187-F204 HydrophobicContact CZ-CG 4.21Å; F187-F204 AromaticContact CZ-CZ 3.65Å; F187-F204 HydrophobicContact CZ-CZ 3.65Å; F200-F204 HydrophobicContact CD1-CE2 4.42Å; F200-F204 WeakPolarHBondContact O-CD2 3.01Å; F200-F204 PolarHBondContact O-N 3.05Å; F200-F204 VanDerWaalsContact O-N 3.09Å; A201-F204 CarbonylContact O-C 3.37Å; A201-F204 PolarHBondContact O-N 3.24Å; G202-F204 VanDerWaalsContact C-N 3.3Å; G202-F204 PolarHBondContact O-N 3.38Å; F204-L206 VanDerWaalsContact C-N 3.34Å; F204-L206 HydrophobicContact CB-CD1 4.1Å; F204-L206 HydrophobicContact CB-CG 4.39Å
205	N	50.8	Low	59.8	Low	48 Å²	48	65 Å²	65	26%	0.257	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.1	39.5	-178.3	-49.7	-78.4	0	0	0	114.2	T99 A201 G202	T99-N205 VanDerWaalsContact CB-CG 3.4Å; T99-N205 WeakPolarHBondContact CB-OD1 3.34Å; T99-N205 HydrophobicContact CG2-CB 3.89Å; T99-N205 WeakPolarHBondContact CG2-ND2 3.24Å; T99-N205 WeakPolarHBondContact CG2-OD1 3.34Å; T99-N205 PolarHBondContact OG1-OD1 3.34Å; T99-N205 VanDerWaalsContact OG1-OD1 3.08Å; A201-N205 CarbonylContact O-C 3.51Å; A201-N205 WeakPolarHBondContact O-CA 3.47Å; A201-N205 PolarHBondContact O-N 3.26Å; G202-N205 PolarHBondContact O-N 3.14Å
206	L	52	Low	60.2	Low	81 Å²	81	60.3 Å²	60.3	42%	0.424	30%	0.302	S	S	.	.			trans	-113.1	166	177.4	-64.7	169.2	0	0	0	110.6	F188 A201 F204	F188-L206 HydrophobicContact CE2-CD1 4.13Å; F188-L206 HydrophobicContact CZ-CD1 3.69Å; A201-L206 CarbonylContact C-O 3.58Å; A201-L206 WeakPolarHBondContact CB-O 3.39Å; A201-L206 PolarHBondContact O-N 3.09Å; F204-L206 VanDerWaalsContact C-N 3.34Å; F204-L206 HydrophobicContact CB-CD1 4.1Å; F204-L206 HydrophobicContact CB-CG 4.39Å
207	F	60.4	Low	60.7	Low	49 Å²	49	57.5 Å²	57.5	22%	0.215	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-92.2	133	167.1	-69.7	-79.6	0	0	0	109.6	Y123 K127 V130 M134	Y123-F207 HydrophobicContact CE2-CE1 4.41Å; K127-F207 HydrophobicContact CB-CD1 4.42Å; K127-F207 HydrophobicContact CB-CE1 3.88Å; K127-F207 HydrophobicContact CG-CD1 4.25Å; K127-F207 HydrophobicContact CG-CE1 4.2Å; V130-F207 HydrophobicContact CB-CD1 4.2Å; V130-F207 HydrophobicContact CB-CD2 4.1Å; V130-F207 HydrophobicContact CB-CE1 4.43Å; V130-F207 HydrophobicContact CB-CE2 4.31Å; V130-F207 HydrophobicContact CB-CG 4.04Å; V130-F207 HydrophobicContact CB-CZ 4.46Å; V130-F207 HydrophobicContact CG1-CB 3.73Å; V130-F207 HydrophobicContact CG1-CD1 4.2Å; V130-F207 HydrophobicContact CG1-CD2 3.69Å; V130-F207 HydrophobicContact CG1-CE2 4.35Å; V130-F207 HydrophobicContact CG1-CG 3.59Å; V130-F207 HydrophobicContact CG2-CD2 3.92Å; V130-F207 HydrophobicContact CG2-CE1 4.42Å; V130-F207 HydrophobicContact CG2-CE2 3.72Å; V130-F207 HydrophobicContact CG2-CG 4.34Å; V130-F207 HydrophobicContact CG2-CZ 3.98Å; M134-F207 HydrophobicContact CE-CB 4.06Å
208	P	62.5	Low	61.1	Low	18 Å²	18	58.8 Å²	58.8	12%	0.117	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-65.3	137.3	177.8	27.2	-32.5	0	0	0	110	E198 A201	E198-P208 HydrophobicContact CG-CG 4.14Å; A201-P208 HydrophobicContact CB-CB 4.02Å; A201-P208 HydrophobicContact CB-CG 4.35Å
209	L	63.2	Low	61.4	Low	65 Å²	65	60.6 Å²	60.6	34%	0.34	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-63.3	139.8	175.5	-63.1	175.4	0	0	0	109.9	M134 F188 I213	M134-L209 HydrophobicContact CE-CD2 4.39Å; F188-L209 HydrophobicContact CD1-CD1 4.22Å; L209-I213 HydrophobicContact CB-CG2 4.46Å; L209-I213 HydrophobicContact CD2-CG2 3.84Å; L209-I213 HydrophobicContact CG-CG2 4.5Å
210	T	65.4	Low	61.6	Low	21 Å²	21	54.5 Å²	54.5	13%	0.129	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-68.7	152.7	169.6	65.9	0	0	0	0	109.9	R131 M134 D135 S212 I213 K214	R131-T210 HydrophobicContact CG-CG2 4.36Å; M134-T210 HydrophobicContact CB-CG2 4.17Å; D135-T210 WeakPolarHBondContact OD1-CB 3.12Å; D135-T210 WeakPolarHBondContact OD1-CG2 3.35Å; D135-T210 PolarHBondContact OD1-OG1 3.34Å; T210-S212 PolarHBondContact O-N 3.48Å; T210-S212 VanDerWaalsContact O-N 3.15Å; T210-I213 PolarHBondContact O-N 2.85Å; T210-I213 VanDerWaalsContact O-N 3.1Å; T210-K214 PolarHBondContact O-N 2.73Å
211	L	67.5	Low	61.7	Low	130 Å²	130	51 Å²	51	68%	0.681	27%	0.27	S	S	*	.	H	α-helix	trans	-54.4	-36.2	-180	-171.4	69.2	0	0	0	111.4	K214 V215	L211-K214 WeakPolarHBondContact O-CB 3.49Å; L211-K214 PolarHBondContact O-N 2.82Å; L211-V215 PolarHBondContact O-N 2.96Å
212	S	64.9	Low	62	Low	63 Å²	63	50.3 Å²	50.3	44%	0.441	26%	0.264	S	S	.	.	H	α-helix	trans	-62.5	-47.5	177.6	-38.5	0	0	0	0	112.4	S138 T210 K214 L216	S138-S212 WeakPolarHBondContact OG-CB 3.46Å; T210-S212 PolarHBondContact O-N 3.48Å; T210-S212 VanDerWaalsContact O-N 3.15Å; S212-K214 VanDerWaalsContact C-N 3.35Å; S212-L216 PolarHBondContact O-N 3.36Å
213	I	67.6	Low	62.6	Low	10 Å²	10	55.3 Å²	55.3	5%	0.051	28%	0.277	C	S	.	.	H	α-helix	trans	-68.5	-34.3	176	-73.9	-148.6	0	0	0	111.7	M134 L137 L209 T210 V215 L216 V217	M134-I213 HydrophobicContact CB-CD1 3.63Å; M134-I213 HydrophobicContact CB-CG1 4.17Å; M134-I213 HydrophobicContact CG-CD1 3.99Å; M134-I213 WeakPolarHBondContact O-CD1 3.28Å; M134-I213 VanDerWaalsContact O-CG1 3.24Å; M134-I213 WeakPolarHBondContact O-CG1 3.4Å; L137-I213 HydrophobicContact CB-CD1 3.73Å; L137-I213 HydrophobicContact CD1-CD1 4.1Å; L209-I213 HydrophobicContact CB-CG2 4.46Å; L209-I213 HydrophobicContact CD2-CG2 3.84Å; L209-I213 HydrophobicContact CG-CG2 4.5Å; T210-I213 PolarHBondContact O-N 2.85Å; T210-I213 VanDerWaalsContact O-N 3.1Å; I213-V215 VanDerWaalsContact C-N 3.34Å; I213-V215 PolarHBondContact O-N 3.3Å; I213-L216 WeakPolarHBondContact O-CB 3.28Å; I213-L216 PolarHBondContact O-N 2.98Å; I213-L216 VanDerWaalsContact O-N 3.15Å; I213-V217 HydrophobicContact CG2-CG2 3.82Å; I213-V217 WeakPolarHBondContact O-CG2 3.24Å; I213-V217 PolarHBondContact O-N 3.45Å
214	K	67.3	Low	63.1	Low	39 Å²	39	54.7 Å²	54.7	17%	0.17	28%	0.279	C	S	.	.	H	α-helix	trans	-57.1	-47.9	177.8	-177.1	-175.9	176.1	174.8	0	111.7	L189 T210 L211 S212 L216 V217 E218	L189-K214 HydrophobicContact CD2-CD 4.42Å; L189-K214 HydrophobicContact CD2-CG 3.97Å; L189-K214 PolarHBondContact O-NZ 3.47Å; T210-K214 PolarHBondContact O-N 2.73Å; L211-K214 WeakPolarHBondContact O-CB 3.49Å; L211-K214 PolarHBondContact O-N 2.82Å; S212-K214 VanDerWaalsContact C-N 3.35Å; K214-L216 VanDerWaalsContact C-N 3.28Å; K214-L216 PolarHBondContact O-N 3.23Å; K214-V217 PolarHBondContact O-N 3.25Å; K214-E218 WeakPolarHBondContact O-CB 3.33Å; K214-E218 PolarHBondContact O-N 3.03Å
215	V	67.7	Low	63.8	Low	68 Å²	68	54.7 Å²	54.7	41%	0.412	28%	0.281	S	S	.	.	H	α-helix	trans	-61.1	-41.3	177.9	176	0	0	0	0	110.5	L211 I213 E218 Q219	L211-V215 PolarHBondContact O-N 2.96Å; I213-V215 VanDerWaalsContact C-N 3.34Å; I213-V215 PolarHBondContact O-N 3.3Å; V215-E218 PolarHBondContact O-N 3.34Å; V215-Q219 HydrophobicContact CG1-CG 4.44Å; V215-Q219 WeakPolarHBondContact O-CB 3.37Å; V215-Q219 VanDerWaalsContact O-CG 3.3Å; V215-Q219 WeakPolarHBondContact O-CG 3.3Å; V215-Q219 PolarHBondContact O-N 3.01Å
216	L	67	Low	64.4	Low	27 Å²	27	59.8 Å²	59.8	14%	0.141	30%	0.297	C	S	.	.	H	α-helix	trans	-63.7	-48.3	178	-170.2	66.4	0	0	0	111.5	L143 S212 I213 K214 E218 Q219 T220	L143-L216 HydrophobicContact CD1-CD2 4.44Å; L143-L216 HydrophobicContact CD2-CD2 4.44Å; L143-L216 HydrophobicContact CG-CD2 4.32Å; S212-L216 PolarHBondContact O-N 3.36Å; I213-L216 WeakPolarHBondContact O-CB 3.28Å; I213-L216 PolarHBondContact O-N 2.98Å; I213-L216 VanDerWaalsContact O-N 3.15Å; K214-L216 VanDerWaalsContact C-N 3.28Å; K214-L216 PolarHBondContact O-N 3.23Å; L216-E218 VanDerWaalsContact C-N 3.32Å; L216-E218 PolarHBondContact O-N 2.91Å; L216-Q219 PolarHBondContact O-N 3.33Å; L216-T220 HydrophobicContact CD1-CG2 4.2Å; L216-T220 PolarHBondContact O-N 3.4Å; L216-T220 PolarHBondContact O-OG1 3.39Å
217	V	66.2	Low	65.1	Low	24 Å²	24	56.4 Å²	56.4	15%	0.145	28%	0.28	C	S	.	.	H	α-helix	trans	-60.6	-41	176.2	172.4	0	0	0	0	110.8	I213 K214 Q219 V221 L222	I213-V217 HydrophobicContact CG2-CG2 3.82Å; I213-V217 WeakPolarHBondContact O-CG2 3.24Å; I213-V217 PolarHBondContact O-N 3.45Å; K214-V217 PolarHBondContact O-N 3.25Å; V217-Q219 PolarHBondContact O-N 3.4Å; V217-V221 HydrophobicContact CG1-CB 4.21Å; V217-V221 HydrophobicContact CG1-CG2 4.42Å; V217-V221 WeakPolarHBondContact O-CA 3.35Å; V217-V221 WeakPolarHBondContact O-CB 3.15Å; V217-V221 PolarHBondContact O-N 3.46Å; V217-L222 PolarHBondContact O-N 3.14Å; V217-L222 VanDerWaalsContact O-N 3.09Å
218	E	66.9	Low	65.3	Low	46 Å²	46	60.8 Å²	60.8	22%	0.215	31%	0.306	C	S	.	.	I	π-helix	trans	-61.7	-44.1	176.3	-166.9	-172.8	136.5	0	0	112.3	K214 V215 L216 L222 R223 H233	K214-E218 WeakPolarHBondContact O-CB 3.33Å; K214-E218 PolarHBondContact O-N 3.03Å; V215-E218 PolarHBondContact O-N 3.34Å; L216-E218 VanDerWaalsContact C-N 3.32Å; L216-E218 PolarHBondContact O-N 2.91Å; E218-L222 HydrophobicContact CB-CD1 4.41Å; E218-L222 HydrophobicContact CG-CD1 4.32Å; E218-R223 WeakPolarHBondContact O-CG 3.33Å; E218-R223 PolarHBondContact O-N 3.12Å; E218-R223 IonicContact OE1-NH2 3.49Å; E218-R223 PolarHBondContact OE1-NH2 3.08Å; E218-H233 VanDerWaalsContact CD-CE1 3.42Å; E218-H233 IonicContact OE1-CE1 2.9Å; E218-H233 PolarHBondContact OE1-CE1 3.32Å; E218-H233 IonicContact OE1-ND1 3.76Å; E218-H233 IonicContact OE1-NE2 3.54Å
219	Q	66.8	Low	65.6	Low	108 Å²	108	67.4 Å²	67.4	51%	0.505	34%	0.34	S	S	.	.	I	π-helix	trans	-78.1	-41.3	-176.4	-70.7	179.3	-2.3	0	0	113.8	V215 L216 V217	V215-Q219 HydrophobicContact CG1-CG 4.44Å; V215-Q219 WeakPolarHBondContact O-CB 3.37Å; V215-Q219 VanDerWaalsContact O-CG 3.3Å; V215-Q219 WeakPolarHBondContact O-CG 3.3Å; V215-Q219 PolarHBondContact O-N 3.01Å; L216-Q219 PolarHBondContact O-N 3.33Å; V217-Q219 PolarHBondContact O-N 3.4Å
220	T	61.8	Low	65.7	Low	53 Å²	53	68.6 Å²	68.6	33%	0.325	35%	0.347	S	S	.	.	I	π-helix	trans	-92.9	-24.8	-174.6	48.1	0	0	0	0	113.8	L216 Q224	L216-T220 HydrophobicContact CD1-CG2 4.2Å; L216-T220 PolarHBondContact O-N 3.4Å; L216-T220 PolarHBondContact O-OG1 3.39Å; T220-Q224 WeakPolarHBondContact O-CG 3.38Å
221	V	61.6	Low	66	Low	14 Å²	14	68.9 Å²	68.9	9%	0.085	35%	0.35	C	S	.	.	I	π-helix	trans	-108.7	-63.5	-177.2	177.9	0	0	0	0	111.2	M168 F185 V217 R223 Q224 I225	M168-V221 HydrophobicContact CE-CG1 3.28Å; M168-V221 HydrophobicContact SD-CB 4.07Å; M168-V221 HydrophobicContact SD-CG1 3.28Å; M168-V221 WeakPolarHBondContact SD-CG1 3.48Å; M168-V221 HydrophobicContact SD-CG2 3.6Å; F185-V221 HydrophobicContact CE1-CG1 4.45Å; F185-V221 HydrophobicContact CZ-CG1 4.21Å; V217-V221 HydrophobicContact CG1-CB 4.21Å; V217-V221 HydrophobicContact CG1-CG2 4.42Å; V217-V221 WeakPolarHBondContact O-CA 3.35Å; V217-V221 WeakPolarHBondContact O-CB 3.15Å; V217-V221 PolarHBondContact O-N 3.46Å; V221-R223 PolarHBondContact O-N 2.94Å; V221-Q224 PolarHBondContact O-N 2.81Å; V221-Q224 VanDerWaalsContact O-N 3.13Å; V221-I225 HydrophobicContact CG1-CD1 3.7Å; V221-I225 WeakPolarHBondContact O-CG1 3.47Å; V221-I225 PolarHBondContact O-N 2.99Å
222	L	63.8	Low	66.2	Low	0 Å²	0	62.7 Å²	62.7	0%	0	32%	0.317	C	S	.	.	I	π-helix	trans	-67.7	-33.2	-167.8	-68	176.3	0	0	0	114	F185 L189 V217 E218 Q224 L232 H233	F185-L222 HydrophobicContact CB-CD2 3.83Å; F185-L222 HydrophobicContact CD1-CD2 3.41Å; F185-L222 VanDerWaalsContact CD1-CD2 3.41Å; F185-L222 HydrophobicContact CD1-CG 4.36Å; F185-L222 HydrophobicContact CD2-CD2 3.91Å; F185-L222 HydrophobicContact CE1-CD2 3.8Å; F185-L222 HydrophobicContact CE2-CD2 4.26Å; F185-L222 HydrophobicContact CG-CD2 3.45Å; F185-L222 VanDerWaalsContact CG-CD2 3.45Å; F185-L222 HydrophobicContact CZ-CD2 4.2Å; L189-L222 HydrophobicContact CD1-CD1 3.13Å; L189-L222 HydrophobicContact CD2-CD1 3.96Å; L189-L222 HydrophobicContact CG-CD1 3.97Å; V217-L222 PolarHBondContact O-N 3.14Å; V217-L222 VanDerWaalsContact O-N 3.09Å; E218-L222 HydrophobicContact CB-CD1 4.41Å; E218-L222 HydrophobicContact CG-CD1 4.32Å; L222-Q224 VanDerWaalsContact C-N 3.35Å; L222-L232 HydrophobicContact CD2-CD2 3.76Å; L222-L232 HydrophobicContact CD2-CG 4.45Å; L222-H233 HydrophobicContact CB-CB 4.19Å; L222-H233 PolarHBondContact O-N 2.74Å; L222-H233 VanDerWaalsContact O-N 3.12Å
223	R	67.2	Low	66.5	Low	123 Å²	123	60.8 Å²	60.8	46%	0.464	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-14.3	177.1	-72.3	-177	-177.5	-172.3	4.5	113.9	E218 V221 H233	E218-R223 WeakPolarHBondContact O-CG 3.33Å; E218-R223 PolarHBondContact O-N 3.12Å; E218-R223 IonicContact OE1-NH2 3.49Å; E218-R223 PolarHBondContact OE1-NH2 3.08Å; V221-R223 PolarHBondContact O-N 2.94Å; R223-H233 HydrophobicContact CG-CB 3.85Å
224	Q	64.1	Low	66.7	Low	110 Å²	110	62.8 Å²	62.8	51%	0.514	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.5	-11.5	-178.6	-60.2	-161.2	10.2	0	0	113.3	T220 V221 L222	T220-Q224 WeakPolarHBondContact O-CG 3.38Å; V221-Q224 PolarHBondContact O-N 2.81Å; V221-Q224 VanDerWaalsContact O-N 3.13Å; L222-Q224 VanDerWaalsContact C-N 3.35Å
225	I	64.5	Low	67.1	Low	51 Å²	51	63 Å²	63	26%	0.262	32%	0.319	S	S	.	.			trans	-96	127.5	176.5	-61.8	168.9	0	0	0	108.8	M168 L181 V221 L232	M168-I225 HydrophobicContact CE-CD1 3.6Å; L181-I225 HydrophobicContact CD2-CG2 4.5Å; V221-I225 HydrophobicContact CG1-CD1 3.7Å; V221-I225 WeakPolarHBondContact O-CG1 3.47Å; V221-I225 PolarHBondContact O-N 2.99Å; I225-L232 HydrophobicContact CB-CB 4.16Å; I225-L232 HydrophobicContact CB-CD2 4.18Å; I225-L232 HydrophobicContact CD1-CD2 4.41Å; I225-L232 HydrophobicContact CG2-CB 4.19Å; I225-L232 HydrophobicContact CG2-CD2 4.03Å; I225-L232 WeakPolarHBondContact O-CB 3.43Å; I225-L232 PolarHBondContact O-N 3.11Å
226	Y	64.8	Low	67.2	Low	156 Å²	156	59.8 Å²	59.8	61%	0.612	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.3	134.7	175.9	-69.9	-95.1	0	0	0	109.8	D230	Y226-D230 CarbonylContact C-O 3.57Å; Y226-D230 WeakPolarHBondContact CA-O 3.37Å
227	C	65.1	Low	67.5	Low	9 Å²	9	61.5 Å²	61.5	6%	0.061	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	118.4	171.9	-133	0	0	0	0	107.9	C178 N229 D230 L232 L235	C178-C227 WeakPolarHBondContact CA-SG 3.41Å; C178-C227 HydrophobicContact CB-CB 3.93Å; C178-C227 WeakPolarHBondContact CB-SG 3.43Å; C178-C227 WeakPolarHBondContact SG-CB 3.21Å; C178-C227 CovalentContact SG-SG 2.02Å; C178-C227 PolarHBondContact SG-SG 3.32Å; C227-N229 VanDerWaalsContact C-N 3.34Å; C227-N229 PolarHBondContact O-N 3.09Å; C227-D230 PolarHBondContact N-O 2.91Å; C227-D230 PolarHBondContact O-N 2.98Å; C227-D230 VanDerWaalsContact O-N 3.09Å; C227-L232 HydrophobicContact CB-CD1 4.48Å; C227-L235 HydrophobicContact CB-CD1 4.09Å
228	N	65.1	Low	67.8	Low	142 Å²	142	65.3 Å²	65.3	76%	0.759	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.6	47.7	-176.4	-63	-25.6	0	0	0	114.1	D230	N228-D230 PolarHBondContact O-N 2.78Å; N228-D230 VanDerWaalsContact O-N 3.14Å
229	N	68.1	Low	68	Low	156 Å²	156	65.5 Å²	65.5	83%	0.834	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.5	-4.9	-176.7	-68.7	-13.6	0	0	0	117	C227	C227-N229 VanDerWaalsContact C-N 3.34Å; C227-N229 PolarHBondContact O-N 3.09Å
230	D	66	Low	67.8	Low	90 Å²	90	61.5 Å²	61.5	48%	0.481	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	141.9	170.3	-71.9	-36.3	0	0	0	110.5	Y226 C227 N228 L232 L235	Y226-D230 CarbonylContact C-O 3.57Å; Y226-D230 WeakPolarHBondContact CA-O 3.37Å; C227-D230 PolarHBondContact N-O 2.91Å; C227-D230 PolarHBondContact O-N 2.98Å; C227-D230 VanDerWaalsContact O-N 3.09Å; N228-D230 PolarHBondContact O-N 2.78Å; N228-D230 VanDerWaalsContact O-N 3.14Å; D230-L232 PolarHBondContact O-N 3.22Å; D230-L235 HydrophobicContact CB-CD1 4.05Å; D230-L235 HydrophobicContact CB-CD2 4.23Å; D230-L235 HydrophobicContact CB-CG 4.01Å
231	S	72.9	Confident	68	Low	27 Å²	27	65.8 Å²	65.8	19%	0.189	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	137.6	173.8	75.9	0	0	0	0	109.3	H233 S234 L235	S231-H233 PolarHBondContact O-N 3.09Å; S231-S234 PolarHBondContact N-OG 3.44Å; S231-S234 PolarHBondContact O-N 3.04Å; S231-S234 PolarHBondContact O-OG 3.25Å; S231-S234 WeakPolarHBondContact OG-CB 3.24Å; S231-S234 PolarHBondContact OG-N 3.01Å; S231-S234 VanDerWaalsContact OG-N 3.12Å; S231-S234 PolarHBondContact OG-OG 3.02Å; S231-L235 PolarHBondContact O-N 3.37Å
232	L	70.8	Confident	68.1	Low	0 Å²	0	71.6 Å²	71.6	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-58.2	-34.2	177.5	-167.5	77.1	0	0	0	110.8	L181 V182 F185 L222 I225 C227 D230 S234 L235 V236	L181-L232 HydrophobicContact CD2-CD1 3.63Å; L181-L232 HydrophobicContact CD2-CD2 3.53Å; L181-L232 HydrophobicContact CD2-CG 4.24Å; V182-L232 HydrophobicContact CG2-CD1 3.57Å; F185-L232 HydrophobicContact CD2-CD2 3.54Å; F185-L232 HydrophobicContact CE2-CD2 3.73Å; F185-L232 HydrophobicContact CG-CD2 4.35Å; L222-L232 HydrophobicContact CD2-CD2 3.76Å; L222-L232 HydrophobicContact CD2-CG 4.45Å; I225-L232 HydrophobicContact CB-CB 4.16Å; I225-L232 HydrophobicContact CB-CD2 4.18Å; I225-L232 HydrophobicContact CD1-CD2 4.41Å; I225-L232 HydrophobicContact CG2-CB 4.19Å; I225-L232 HydrophobicContact CG2-CD2 4.03Å; I225-L232 WeakPolarHBondContact O-CB 3.43Å; I225-L232 PolarHBondContact O-N 3.11Å; C227-L232 HydrophobicContact CB-CD1 4.48Å; D230-L232 PolarHBondContact O-N 3.22Å; L232-S234 PolarHBondContact O-N 3.4Å; L232-L235 PolarHBondContact O-N 2.82Å; L232-V236 HydrophobicContact CG-CG2 4.42Å; L232-V236 WeakPolarHBondContact O-CB 3.45Å; L232-V236 VanDerWaalsContact O-CG2 3.26Å; L232-V236 WeakPolarHBondContact O-CG2 3.15Å; L232-V236 PolarHBondContact O-N 3.04Å
233	H	70.9	Confident	67.8	Low	24 Å²	24	76.3 Å²	76.3	11%	0.111	38%	0.377	C	S	.	.	H	α-helix	trans	-56.3	-44.8	171.9	-176	63.4	0	0	0	113.8	E218 L222 R223 S231 N237	E218-H233 VanDerWaalsContact CD-CE1 3.42Å; E218-H233 IonicContact OE1-CE1 2.9Å; E218-H233 PolarHBondContact OE1-CE1 3.32Å; E218-H233 IonicContact OE1-ND1 3.76Å; E218-H233 IonicContact OE1-NE2 3.54Å; L222-H233 HydrophobicContact CB-CB 4.19Å; L222-H233 PolarHBondContact O-N 2.74Å; L222-H233 VanDerWaalsContact O-N 3.12Å; R223-H233 HydrophobicContact CG-CB 3.85Å; S231-H233 PolarHBondContact O-N 3.09Å; H233-N237 PolarHBondContact CE1-ND2 3.43Å; H233-N237 PolarHBondContact NE2-ND2 3.21Å; H233-N237 VanDerWaalsContact NE2-ND2 3.19Å; H233-N237 WeakPolarHBondContact O-CB 3.48Å; H233-N237 PolarHBondContact O-N 3.15Å; H233-N237 VanDerWaalsContact O-N 3.1Å; H233-N237 PolarHBondContact O-ND2 3.02Å
234	S	73.1	Confident	67.3	Low	52 Å²	52	74.1 Å²	74.1	36%	0.364	37%	0.374	S	S	.	.	H	α-helix	trans	-68.2	-37.7	178.1	45.1	0	0	0	0	112.3	S231 L232 L238	S231-S234 PolarHBondContact N-OG 3.44Å; S231-S234 PolarHBondContact O-N 3.04Å; S231-S234 PolarHBondContact O-OG 3.25Å; S231-S234 WeakPolarHBondContact OG-CB 3.24Å; S231-S234 PolarHBondContact OG-N 3.01Å; S231-S234 VanDerWaalsContact OG-N 3.12Å; S231-S234 PolarHBondContact OG-OG 3.02Å; L232-S234 PolarHBondContact O-N 3.4Å; S234-L238 PolarHBondContact O-N 3.3Å; S234-L238 VanDerWaalsContact O-N 3.14Å
235	L	74.5	Confident	66.8	Low	43 Å²	43	76.9 Å²	76.9	23%	0.225	38%	0.384	C	S	.	.	H	α-helix	trans	-68.6	-43	178.1	-68	171.1	0	0	0	111.9	V182 C227 D230 S231 L232 L238 I239	V182-L235 HydrophobicContact CG1-CB 4.14Å; V182-L235 HydrophobicContact CG2-CB 3.85Å; V182-L235 HydrophobicContact CG2-CD1 4.16Å; C227-L235 HydrophobicContact CB-CD1 4.09Å; D230-L235 HydrophobicContact CB-CD1 4.05Å; D230-L235 HydrophobicContact CB-CD2 4.23Å; D230-L235 HydrophobicContact CB-CG 4.01Å; S231-L235 PolarHBondContact O-N 3.37Å; L232-L235 PolarHBondContact O-N 2.82Å; L235-L238 WeakPolarHBondContact O-CB 3.23Å; L235-L238 PolarHBondContact O-N 3.48Å; L235-I239 PolarHBondContact O-N 3.09Å
236	V	71.1	Confident	66.4	Low	0 Å²	0	81.5 Å²	81.5	0%	0	41%	0.405	C	S	.	.	H	α-helix	trans	-63	-43.4	176.8	171.6	0	0	0	0	111.3	V182 F185 A186 L189 L232 L238 I239 I240	V182-V236 HydrophobicContact CB-CG2 4.45Å; V182-V236 HydrophobicContact CG1-CB 4.48Å; V182-V236 HydrophobicContact CG1-CG2 3.82Å; F185-V236 HydrophobicContact CB-CG2 3.82Å; A186-V236 HydrophobicContact CB-CG1 4.05Å; L189-V236 HydrophobicContact CD1-CG1 3.66Å; L232-V236 HydrophobicContact CG-CG2 4.42Å; L232-V236 WeakPolarHBondContact O-CB 3.45Å; L232-V236 VanDerWaalsContact O-CG2 3.26Å; L232-V236 WeakPolarHBondContact O-CG2 3.15Å; L232-V236 PolarHBondContact O-N 3.04Å; V236-L238 VanDerWaalsContact C-N 3.29Å; V236-L238 PolarHBondContact O-N 3.3Å; V236-I239 PolarHBondContact O-N 3.16Å; V236-I240 HydrophobicContact CG1-CD1 3.77Å; V236-I240 HydrophobicContact CG1-CG1 4.46Å; V236-I240 WeakPolarHBondContact O-CG1 3.44Å; V236-I240 PolarHBondContact O-N 2.89Å; V236-I240 VanDerWaalsContact O-N 3.09Å
237	N	71.5	Confident	66.2	Low	64 Å²	64	77.2 Å²	77.2	34%	0.342	40%	0.398	S	S	.	.	H	α-helix	trans	-64.7	-32.5	177.2	-77.7	-21.6	0	0	0	112.9	H233 Q241	H233-N237 PolarHBondContact CE1-ND2 3.43Å; H233-N237 PolarHBondContact NE2-ND2 3.21Å; H233-N237 VanDerWaalsContact NE2-ND2 3.19Å; H233-N237 WeakPolarHBondContact O-CB 3.48Å; H233-N237 PolarHBondContact O-N 3.15Å; H233-N237 VanDerWaalsContact O-N 3.1Å; H233-N237 PolarHBondContact O-ND2 3.02Å; N237-Q241 WeakPolarHBondContact O-CG 3.34Å; N237-Q241 PolarHBondContact O-N 3.19Å
238	L	74	Confident	66	Low	103 Å²	103	82 Å²	82	54%	0.539	42%	0.423	S	S	.	.	H	α-helix	trans	-66.3	-42.7	177.1	-161.5	84.8	0	0	0	111.6	S234 L235 V236 Q241 Q242	S234-L238 PolarHBondContact O-N 3.3Å; S234-L238 VanDerWaalsContact O-N 3.14Å; L235-L238 WeakPolarHBondContact O-CB 3.23Å; L235-L238 PolarHBondContact O-N 3.48Å; V236-L238 VanDerWaalsContact C-N 3.29Å; V236-L238 PolarHBondContact O-N 3.3Å; L238-Q241 PolarHBondContact O-N 3.03Å; L238-Q242 PolarHBondContact O-N 3.43Å; L238-Q242 VanDerWaalsContact O-N 3.15Å
239	I	69.6	Low	66.1	Low	51 Å²	51	80.5 Å²	80.5	26%	0.262	41%	0.414	S	S	.	.	H	α-helix	trans	-65.3	-45.9	176.6	-64.2	-167.6	0	0	0	110.7	V182 A186 L235 V236 Q241 Q242 E243	V182-I239 HydrophobicContact CB-CD1 4.41Å; V182-I239 HydrophobicContact CG1-CD1 3.44Å; V182-I239 VanDerWaalsContact CG1-CD1 3.44Å; V182-I239 HydrophobicContact CG1-CG1 4.15Å; A186-I239 HydrophobicContact CB-CG2 4.38Å; L235-I239 PolarHBondContact O-N 3.09Å; V236-I239 PolarHBondContact O-N 3.16Å; I239-Q241 VanDerWaalsContact C-N 3.29Å; I239-Q241 PolarHBondContact O-N 3.32Å; I239-Q242 PolarHBondContact O-N 3.18Å; I239-Q242 VanDerWaalsContact O-N 3.09Å; I239-E243 PolarHBondContact O-N 3.41Å
240	I	63.9	Low	66.1	Low	24 Å²	24	78.5 Å²	78.5	12%	0.123	40%	0.403	C	S	.	.	H	α-helix	trans	-59.7	-39	178.3	-67.2	171	0	0	0	111.4	A186 L189 N190 V236 N244	A186-I240 HydrophobicContact CB-CG1 4.44Å; L189-I240 HydrophobicContact CB-CD1 4.41Å; N190-I240 HydrophobicContact CB-CD1 4.24Å; N190-I240 HydrophobicContact CB-CG1 4.18Å; V236-I240 HydrophobicContact CG1-CD1 3.77Å; V236-I240 HydrophobicContact CG1-CG1 4.46Å; V236-I240 WeakPolarHBondContact O-CG1 3.44Å; V236-I240 PolarHBondContact O-N 2.89Å; V236-I240 VanDerWaalsContact O-N 3.09Å; I240-N244 PolarHBondContact O-N 3.49Å
241	Q	65.2	Low	66.4	Low	142 Å²	142	80 Å²	80	66%	0.664	41%	0.41	S	S	*	.	H	α-helix	trans	-69.5	-31.5	176.3	-77.8	-173.8	-6.5	0	0	113.6	N237 L238 I239	N237-Q241 WeakPolarHBondContact O-CG 3.34Å; N237-Q241 PolarHBondContact O-N 3.19Å; L238-Q241 PolarHBondContact O-N 3.03Å; I239-Q241 VanDerWaalsContact C-N 3.29Å; I239-Q241 PolarHBondContact O-N 3.32Å
242	Q	63.8	Low	66.4	Low	137 Å²	137	81.5 Å²	81.5	64%	0.64	42%	0.42	S	S	*	.	H	α-helix	trans	-72.5	-41	175.3	-87.2	-176.1	-34.8	0	0	112.5	L238 I239 K245 Q246	L238-Q242 PolarHBondContact O-N 3.43Å; L238-Q242 VanDerWaalsContact O-N 3.15Å; I239-Q242 PolarHBondContact O-N 3.18Å; I239-Q242 VanDerWaalsContact O-N 3.09Å; Q242-K245 PolarHBondContact O-N 3.14Å; Q242-Q246 PolarHBondContact O-N 3.36Å
243	E	57.8	Low	66.6	Low	99 Å²	99	86.7 Å²	86.7	46%	0.463	45%	0.448	S	S	.	.	H	α-helix	trans	-67.9	-40	179.3	-73.5	-172.4	150.6	0	0	112.9	I239 K245 Q246 S247	I239-E243 PolarHBondContact O-N 3.41Å; E243-K245 VanDerWaalsContact C-N 3.33Å; E243-K245 PolarHBondContact O-N 2.92Å; E243-Q246 PolarHBondContact O-N 3.45Å; E243-S247 PolarHBondContact O-N 2.92Å; E243-S247 PolarHBondContact O-OG 3.42Å
244	N	55.9	Low	67.1	Low	77 Å²	77	89.6 Å²	89.6	41%	0.412	46%	0.463	S	S	.	.	H	α-helix	trans	-65.6	-35.9	178.8	-77.5	-19.3	0	0	0	112.1	I240 Q246 S247 D248	I240-N244 PolarHBondContact O-N 3.49Å; N244-Q246 VanDerWaalsContact C-N 3.34Å; N244-Q246 PolarHBondContact O-N 2.91Å; N244-S247 PolarHBondContact O-N 3.49Å; N244-D248 PolarHBondContact O-N 2.89Å
245	K	55.5	Low	67.3	Low	168 Å²	168	89.6 Å²	89.6	73%	0.73	47%	0.466	S	S	*	.	H	α-helix	trans	-69.4	-30.5	179.9	-149.5	174.8	-172.2	178.1	0	113.3	Q242 E243 L249	Q242-K245 PolarHBondContact O-N 3.14Å; E243-K245 VanDerWaalsContact C-N 3.33Å; E243-K245 PolarHBondContact O-N 2.92Å; K245-L249 PolarHBondContact O-N 3.15Å
246	Q	55.8	Low	67.8	Low	148 Å²	148	91.9 Å²	91.9	69%	0.692	48%	0.482	S	S	*	.	H	α-helix	trans	-75.6	-36.6	175.1	-120.5	177.7	-8.7	0	0	111.8	Q242 E243 N244 L250	Q242-Q246 PolarHBondContact O-N 3.36Å; E243-Q246 PolarHBondContact O-N 3.45Å; N244-Q246 VanDerWaalsContact C-N 3.34Å; N244-Q246 PolarHBondContact O-N 2.91Å; Q246-L250 PolarHBondContact O-N 2.86Å; Q246-L250 VanDerWaalsContact O-N 3.15Å
247	S	58.8	Low	68.4	Low	66 Å²	66	95.1 Å²	95.1	46%	0.462	51%	0.505	S	S	.	.	H	α-helix	trans	-66.8	-45.5	177.9	-53.8	0	0	0	0	112	E243 N244 L249 L250 L251	E243-S247 PolarHBondContact O-N 2.92Å; E243-S247 PolarHBondContact O-OG 3.42Å; N244-S247 PolarHBondContact O-N 3.49Å; S247-L249 VanDerWaalsContact C-N 3.35Å; S247-L249 PolarHBondContact O-N 2.93Å; S247-L250 PolarHBondContact O-N 3.28Å; S247-L251 WeakPolarHBondContact O-CB 3.48Å; S247-L251 PolarHBondContact O-N 3.45Å
248	D	62.6	Low	69.2	Low	110 Å²	110	96.4 Å²	96.4	59%	0.588	51%	0.514	S	S	*	.	H	α-helix	trans	-65.3	-36.7	178.1	-73.1	-20.8	0	0	0	112.5	N244 L251 S252	N244-D248 PolarHBondContact O-N 2.89Å; D248-L251 PolarHBondContact O-N 3.49Å; D248-S252 WeakPolarHBondContact O-CB 3.48Å; D248-S252 PolarHBondContact O-N 3.05Å; D248-S252 PolarHBondContact O-OG 3.34Å; D248-S252 VanDerWaalsContact O-OG 3.05Å
249	L	66.3	Low	69.8	Low	110 Å²	110	95.3 Å²	95.3	58%	0.576	51%	0.514	S	S	*	.	H	α-helix	trans	-66.1	-41.7	175.7	-168.8	72.3	0	0	0	111.4	K245 S247 S252 L253	K245-L249 PolarHBondContact O-N 3.15Å; S247-L249 VanDerWaalsContact C-N 3.35Å; S247-L249 PolarHBondContact O-N 2.93Å; L249-S252 PolarHBondContact O-OG 3.06Å; L249-L253 HydrophobicContact CG-CD1 4.36Å; L249-L253 WeakPolarHBondContact O-CB 3.33Å; L249-L253 WeakPolarHBondContact O-CG 3.36Å; L249-L253 PolarHBondContact O-N 3.5Å
250	L	67.8	Low	70.8	Confident	113 Å²	113	97.3 Å²	97.3	59%	0.592	53%	0.529	S	S	*	.	H	α-helix	trans	-65.9	-44	176.3	-165.9	82.2	0	0	0	111.5	Q246 S247 S252 L253 I254	Q246-L250 PolarHBondContact O-N 2.86Å; Q246-L250 VanDerWaalsContact O-N 3.15Å; S247-L250 PolarHBondContact O-N 3.28Å; L250-S252 PolarHBondContact O-N 2.89Å; L250-L253 PolarHBondContact O-N 2.93Å; L250-I254 HydrophobicContact CD2-CD1 4.38Å; L250-I254 HydrophobicContact CG-CD1 4.14Å; L250-I254 VanDerWaalsContact O-CG1 3.3Å; L250-I254 WeakPolarHBondContact O-CG1 3.3Å; L250-I254 PolarHBondContact O-N 2.89Å
251	L	72.1	Confident	72.1	Confident	122 Å²	122	98.6 Å²	98.6	64%	0.639	54%	0.543	S	S	*	.	H	α-helix	trans	-65	-40.2	179.6	-154.1	80.5	0	0	0	111.7	S247 D248 I254 A255	S247-L251 WeakPolarHBondContact O-CB 3.48Å; S247-L251 PolarHBondContact O-N 3.45Å; D248-L251 PolarHBondContact O-N 3.49Å; L251-I254 PolarHBondContact O-N 3.42Å; L251-A255 WeakPolarHBondContact O-CB 3.3Å; L251-A255 PolarHBondContact O-N 2.73Å
252	S	73.9	Confident	73.3	Confident	58 Å²	58	94.5 Å²	94.5	41%	0.406	53%	0.533	S	S	.	.	H	α-helix	trans	-65.9	-40.6	175.2	65.6	0	0	0	0	112.6	D248 L249 L250 A255 V256	D248-S252 WeakPolarHBondContact O-CB 3.48Å; D248-S252 PolarHBondContact O-N 3.05Å; D248-S252 PolarHBondContact O-OG 3.34Å; D248-S252 VanDerWaalsContact O-OG 3.05Å; L249-S252 PolarHBondContact O-OG 3.06Å; L250-S252 PolarHBondContact O-N 2.89Å; S252-A255 PolarHBondContact O-N 3.12Å; S252-V256 VanDerWaalsContact O-CG2 3.3Å; S252-V256 WeakPolarHBondContact O-CG2 3.28Å; S252-V256 PolarHBondContact O-N 3.17Å
253	L	75	Confident	74.6	Confident	109 Å²	109	92.5 Å²	92.5	57%	0.571	53%	0.53	S	S	*	.	H	α-helix	trans	-64.2	-41.5	174.4	-77.7	166.4	0	0	0	112.1	L249 L250 S257	L249-L253 HydrophobicContact CG-CD1 4.36Å; L249-L253 WeakPolarHBondContact O-CB 3.33Å; L249-L253 WeakPolarHBondContact O-CG 3.36Å; L249-L253 PolarHBondContact O-N 3.5Å; L250-L253 PolarHBondContact O-N 2.93Å; L253-S257 WeakPolarHBondContact O-CB 3.33Å; L253-S257 PolarHBondContact O-N 3.41Å
254	I	80.1	Confident	76.2	Confident	86 Å²	86	89.9 Å²	89.9	44%	0.441	53%	0.526	S	S	.	.	H	α-helix	trans	-63.4	-47.5	174.3	-67.6	167.4	0	0	0	109.7	L250 L251 V256 S257 V258	L250-I254 HydrophobicContact CD2-CD1 4.38Å; L250-I254 HydrophobicContact CG-CD1 4.14Å; L250-I254 VanDerWaalsContact O-CG1 3.3Å; L250-I254 WeakPolarHBondContact O-CG1 3.3Å; L250-I254 PolarHBondContact O-N 2.89Å; L251-I254 PolarHBondContact O-N 3.42Å; I254-V256 PolarHBondContact O-N 2.88Å; I254-S257 PolarHBondContact O-N 2.86Å; I254-S257 VanDerWaalsContact O-N 3.12Å; I254-S257 PolarHBondContact O-OG 3.34Å; I254-V258 HydrophobicContact CG2-CG2 4.28Å; I254-V258 WeakPolarHBondContact O-CG2 3.35Å; I254-V258 PolarHBondContact O-N 2.87Å
255	A	78.8	Confident	78	Confident	52 Å²	52	91.9 Å²	91.9	43%	0.43	54%	0.536	S	S	.	.	H	α-helix	trans	-59.9	-43.8	179.3	0	0	0	0	0	112.5	L251 S252 V258 C259	L251-A255 WeakPolarHBondContact O-CB 3.3Å; L251-A255 PolarHBondContact O-N 2.73Å; S252-A255 PolarHBondContact O-N 3.12Å; A255-V258 PolarHBondContact O-N 3.42Å; A255-C259 WeakPolarHBondContact O-CB 3.33Å; A255-C259 PolarHBondContact O-N 2.95Å; A255-C259 PolarHBondContact O-SG 2.9Å
256	V	84.7	Confident	79.7	Confident	91 Å²	91	86.5 Å²	86.5	55%	0.552	52%	0.523	S	S	*	.	H	α-helix	trans	-63.2	-42.9	174.2	173	0	0	0	0	110.6	S252 I254 V258 C259 V260	S252-V256 VanDerWaalsContact O-CG2 3.3Å; S252-V256 WeakPolarHBondContact O-CG2 3.28Å; S252-V256 PolarHBondContact O-N 3.17Å; I254-V256 PolarHBondContact O-N 2.88Å; V256-V258 PolarHBondContact O-N 3.3Å; V256-C259 PolarHBondContact O-N 3.45Å; V256-V260 HydrophobicContact CG1-CG2 4.3Å; V256-V260 WeakPolarHBondContact O-CB 3.37Å; V256-V260 VanDerWaalsContact O-CG2 3.28Å; V256-V260 WeakPolarHBondContact O-CG2 3.45Å; V256-V260 PolarHBondContact O-N 2.94Å
257	S	82.8	Confident	81.5	Confident	68 Å²	68	83 Å²	83	48%	0.476	51%	0.512	S	S	.	.	H	α-helix	trans	-63.9	-39.3	178.6	78.7	0	0	0	0	112.7	L253 I254 V260 A261	L253-S257 WeakPolarHBondContact O-CB 3.33Å; L253-S257 PolarHBondContact O-N 3.41Å; I254-S257 PolarHBondContact O-N 2.86Å; I254-S257 VanDerWaalsContact O-N 3.12Å; I254-S257 PolarHBondContact O-OG 3.34Å; S257-V260 PolarHBondContact O-N 2.89Å; S257-A261 WeakPolarHBondContact O-CB 3.5Å; S257-A261 PolarHBondContact O-N 3.44Å
258	V	88.2	Confident	83.1	Confident	90 Å²	90	84.6 Å²	84.6	55%	0.545	51%	0.514	S	S	.	.	H	α-helix	trans	-67.5	-41.8	176	172.7	0	0	0	0	110.6	I254 A255 V256 A261 A262	I254-V258 HydrophobicContact CG2-CG2 4.28Å; I254-V258 WeakPolarHBondContact O-CG2 3.35Å; I254-V258 PolarHBondContact O-N 2.87Å; A255-V258 PolarHBondContact O-N 3.42Å; V256-V258 PolarHBondContact O-N 3.3Å; V258-A261 PolarHBondContact O-N 3.33Å; V258-A262 VanDerWaalsContact O-CB 3.3Å; V258-A262 WeakPolarHBondContact O-CB 3.3Å; V258-A262 PolarHBondContact O-N 3.36Å
259	C	87.7	Confident	84.5	Confident	80 Å²	80	83 Å²	83	54%	0.541	51%	0.511	S	S	.	.	H	α-helix	trans	-63.3	-44.2	175.3	-68.9	0	0	0	0	111.7	A255 V256 A262 V263	A255-C259 WeakPolarHBondContact O-CB 3.33Å; A255-C259 PolarHBondContact O-N 2.95Å; A255-C259 PolarHBondContact O-SG 2.9Å; V256-C259 PolarHBondContact O-N 3.45Å; C259-A262 PolarHBondContact O-N 2.92Å; C259-V263 VanDerWaalsContact O-CG2 3.3Å; C259-V263 WeakPolarHBondContact O-CG2 3.33Å; C259-V263 PolarHBondContact O-N 3.45Å
260	V	90.4	Very high	85.8	Confident	94 Å²	94	82.4 Å²	82.4	57%	0.57	51%	0.508	S	S	*	.	H	α-helix	trans	-63.5	-42.9	176.6	172.3	0	0	0	0	110.9	V256 S257 V263 A264	V256-V260 HydrophobicContact CG1-CG2 4.3Å; V256-V260 WeakPolarHBondContact O-CB 3.37Å; V256-V260 VanDerWaalsContact O-CG2 3.28Å; V256-V260 WeakPolarHBondContact O-CG2 3.45Å; V256-V260 PolarHBondContact O-N 2.94Å; S257-V260 PolarHBondContact O-N 2.89Å; V260-V263 PolarHBondContact O-N 2.87Å; V260-A264 WeakPolarHBondContact O-CB 3.3Å; V260-A264 PolarHBondContact O-N 3.4Å
261	A	90.6	Very high	86.9	Confident	51 Å²	51	82.1 Å²	82.1	42%	0.421	51%	0.506	S	S	.	.	H	α-helix	trans	-64	-40.9	175.8	0	0	0	0	0	112.3	S257 V258 A264 L265	S257-A261 WeakPolarHBondContact O-CB 3.5Å; S257-A261 PolarHBondContact O-N 3.44Å; V258-A261 PolarHBondContact O-N 3.33Å; A261-A264 PolarHBondContact O-N 2.84Å; A261-L265 WeakPolarHBondContact O-CB 3.29Å; A261-L265 WeakPolarHBondContact O-CG 3.23Å; A261-L265 PolarHBondContact O-N 2.86Å
262	A	90.6	Very high	87.7	Confident	55 Å²	55	79.5 Å²	79.5	46%	0.455	50%	0.498	S	S	.	.	H	α-helix	trans	-64.7	-42.9	176	0	0	0	0	0	111.8	V258 C259 L265 A266	V258-A262 VanDerWaalsContact O-CB 3.3Å; V258-A262 WeakPolarHBondContact O-CB 3.3Å; V258-A262 PolarHBondContact O-N 3.36Å; C259-A262 PolarHBondContact O-N 2.92Å; A262-L265 PolarHBondContact O-N 3.38Å; A262-A266 WeakPolarHBondContact O-CB 3.45Å; A262-A266 PolarHBondContact O-N 2.85Å
263	V	92.3	Very high	88.5	Confident	95 Å²	95	83.5 Å²	83.5	58%	0.576	51%	0.505	S	S	*	.	H	α-helix	trans	-64.3	-43.4	174.1	173	0	0	0	0	110.7	C259 V260 A266 V267	C259-V263 VanDerWaalsContact O-CG2 3.3Å; C259-V263 WeakPolarHBondContact O-CG2 3.33Å; C259-V263 PolarHBondContact O-N 3.45Å; V260-V263 PolarHBondContact O-N 2.87Å; V263-A266 PolarHBondContact O-N 2.85Å; V263-V267 HydrophobicContact CG1-CG2 4.38Å; V263-V267 VanDerWaalsContact O-CG2 3.29Å; V263-V267 WeakPolarHBondContact O-CG2 3.32Å; V263-V267 PolarHBondContact O-N 3.27Å
264	A	91.4	Very high	88.9	Confident	45 Å²	45	84.4 Å²	84.4	37%	0.372	51%	0.505	S	S	.	.	H	α-helix	trans	-61.6	-45.1	176.6	0	0	0	0	0	111.9	V260 A261 V267 I268	V260-A264 WeakPolarHBondContact O-CB 3.3Å; V260-A264 PolarHBondContact O-N 3.4Å; A261-A264 PolarHBondContact O-N 2.84Å; A264-V267 PolarHBondContact O-N 2.85Å; A264-I268 WeakPolarHBondContact O-CB 3.39Å; A264-I268 VanDerWaalsContact O-CG1 3.23Å; A264-I268 WeakPolarHBondContact O-CG1 3.41Å; A264-I268 PolarHBondContact O-N 2.84Å
265	L	93.5	Very high	89.2	Confident	119 Å²	119	89.2 Å²	89.2	62%	0.623	52%	0.517	S	S	*	.	H	α-helix	trans	-63.4	-39.9	174.8	-76.9	171.3	0	0	0	112.1	A261 A262 I268 S269	A261-L265 WeakPolarHBondContact O-CB 3.29Å; A261-L265 WeakPolarHBondContact O-CG 3.23Å; A261-L265 PolarHBondContact O-N 2.86Å; A262-L265 PolarHBondContact O-N 3.38Å; L265-I268 PolarHBondContact O-N 3.31Å; L265-S269 WeakPolarHBondContact O-CB 3.24Å; L265-S269 PolarHBondContact O-N 2.72Å
266	A	91.4	Very high	89.6	Confident	55 Å²	55	93.1 Å²	93.1	46%	0.455	52%	0.522	S	S	.	.	H	α-helix	trans	-63	-44.5	174.5	0	0	0	0	0	111.4	A262 V263 S269 L270	A262-A266 WeakPolarHBondContact O-CB 3.45Å; A262-A266 PolarHBondContact O-N 2.85Å; V263-A266 PolarHBondContact O-N 2.85Å; A266-S269 PolarHBondContact O-N 3.26Å; A266-L270 VanDerWaalsContact O-CB 3.25Å; A266-L270 WeakPolarHBondContact O-CB 3.37Å; A266-L270 PolarHBondContact O-N 3.44Å
267	V	92.8	Very high	89.5	Confident	75 Å²	75	96.8 Å²	96.8	46%	0.455	53%	0.526	S	S	.	.	H	α-helix	trans	-63.2	-46	175.6	172.3	0	0	0	0	110.9	V263 A264 S269 L270 L271	V263-V267 HydrophobicContact CG1-CG2 4.38Å; V263-V267 VanDerWaalsContact O-CG2 3.29Å; V263-V267 WeakPolarHBondContact O-CG2 3.32Å; V263-V267 PolarHBondContact O-N 3.27Å; A264-V267 PolarHBondContact O-N 2.85Å; V267-S269 PolarHBondContact O-N 2.8Å; V267-L270 PolarHBondContact O-N 3.43Å; V267-L271 HydrophobicContact CG1-CD1 3.88Å; V267-L271 HydrophobicContact CG1-CG 4.26Å; V267-L271 WeakPolarHBondContact O-CB 3.25Å; V267-L271 VanDerWaalsContact O-CG 3.24Å; V267-L271 WeakPolarHBondContact O-CG 3.21Å; V267-L271 PolarHBondContact O-N 2.85Å
268	I	93.3	Very high	89.3	Confident	99 Å²	99	96.5 Å²	96.5	51%	0.508	52%	0.521	S	S	.	.	H	α-helix	trans	-61.9	-43.8	177	-68.8	164.6	0	0	0	110.8	A264 L265 L271 S272	A264-I268 WeakPolarHBondContact O-CB 3.39Å; A264-I268 VanDerWaalsContact O-CG1 3.23Å; A264-I268 WeakPolarHBondContact O-CG1 3.41Å; A264-I268 PolarHBondContact O-N 2.84Å; L265-I268 PolarHBondContact O-N 3.31Å; I268-L271 PolarHBondContact O-N 3.4Å; I268-S272 WeakPolarHBondContact O-CB 3.2Å; I268-S272 PolarHBondContact O-N 2.81Å; I268-S272 PolarHBondContact O-OG 3.48Å
269	S	91.1	Very high	88.9	Confident	75 Å²	75	94.5 Å²	94.5	52%	0.524	51%	0.507	S	S	.	.	H	α-helix	trans	-61.7	-43.7	175.8	-179.2	0	0	0	0	111.2	L265 A266 V267 S272 Y273	L265-S269 WeakPolarHBondContact O-CB 3.24Å; L265-S269 PolarHBondContact O-N 2.72Å; A266-S269 PolarHBondContact O-N 3.26Å; V267-S269 PolarHBondContact O-N 2.8Å; S269-S272 PolarHBondContact O-N 2.82Å; S269-Y273 VanDerWaalsContact O-CB 3.22Å; S269-Y273 WeakPolarHBondContact O-CB 3.36Å; S269-Y273 PolarHBondContact O-N 2.74Å
270	L	92.7	Very high	88.6	Confident	99 Å²	99	96.7 Å²	96.7	52%	0.518	51%	0.507	S	S	.	.	H	α-helix	trans	-68.7	-39.3	179.5	-152.4	155	0	0	0	111.7	A266 V267 K274	A266-L270 VanDerWaalsContact O-CB 3.25Å; A266-L270 WeakPolarHBondContact O-CB 3.37Å; A266-L270 PolarHBondContact O-N 3.44Å; V267-L270 PolarHBondContact O-N 3.43Å; L270-K274 HydrophobicContact CD2-CD 4.05Å; L270-K274 HydrophobicContact CD2-CG 4.27Å; L270-K274 WeakPolarHBondContact O-CB 3.22Å; L270-K274 WeakPolarHBondContact O-CG 3.3Å; L270-K274 PolarHBondContact O-N 2.84Å
271	L	91.6	Very high	88	Confident	106 Å²	106	93.6 Å²	93.6	56%	0.555	49%	0.491	S	S	*	.	H	α-helix	trans	-65.5	-42.8	172.3	-71	174.9	0	0	0	111.5	V267 I268 K274 R275	V267-L271 HydrophobicContact CG1-CD1 3.88Å; V267-L271 HydrophobicContact CG1-CG 4.26Å; V267-L271 WeakPolarHBondContact O-CB 3.25Å; V267-L271 VanDerWaalsContact O-CG 3.24Å; V267-L271 WeakPolarHBondContact O-CG 3.21Å; V267-L271 PolarHBondContact O-N 2.85Å; I268-L271 PolarHBondContact O-N 3.4Å; L271-K274 PolarHBondContact O-N 2.81Å; L271-R275 VanDerWaalsContact O-CB 3.29Å; L271-R275 WeakPolarHBondContact O-CB 3.41Å; L271-R275 PolarHBondContact O-N 3.42Å
272	S	89.1	Confident	87.2	Confident	67 Å²	67	92.8 Å²	92.8	47%	0.469	48%	0.478	S	S	.	.	H	α-helix	trans	-66.2	-40.5	177.1	-60.1	0	0	0	0	111.4	I268 S269 R275 Y276	I268-S272 WeakPolarHBondContact O-CB 3.2Å; I268-S272 PolarHBondContact O-N 2.81Å; I268-S272 PolarHBondContact O-OG 3.48Å; S269-S272 PolarHBondContact O-N 2.82Å; S272-R275 PolarHBondContact O-N 3.38Å; S272-Y276 VanDerWaalsContact O-CB 3.3Å; S272-Y276 WeakPolarHBondContact O-CB 3.23Å; S272-Y276 PolarHBondContact O-N 2.77Å
273	Y	89.7	Confident	86.4	Confident	142 Å²	142	98.9 Å²	98.9	56%	0.557	49%	0.489	S	S	*	.	H	α-helix	trans	-67	-43.3	174.8	-179.6	-107.8	0	0	0	111.6	S269 Y276 R277	S269-Y273 VanDerWaalsContact O-CB 3.22Å; S269-Y273 WeakPolarHBondContact O-CB 3.36Å; S269-Y273 PolarHBondContact O-N 2.74Å; Y273-Y276 PolarHBondContact O-N 3.32Å; Y273-R277 WeakPolarHBondContact O-CB 3.45Å; Y273-R277 PolarHBondContact O-N 2.93Å
274	K	85.1	Confident	85.6	Confident	128 Å²	128	97 Å²	97	56%	0.557	48%	0.48	S	S	*	.	H	α-helix	trans	-58.8	-47.5	171.7	-82.8	-175.9	176.2	-179.3	0	110.8	L270 L271 Y276 R277 V278	L270-K274 HydrophobicContact CD2-CD 4.05Å; L270-K274 HydrophobicContact CD2-CG 4.27Å; L270-K274 WeakPolarHBondContact O-CB 3.22Å; L270-K274 WeakPolarHBondContact O-CG 3.3Å; L270-K274 PolarHBondContact O-N 2.84Å; L271-K274 PolarHBondContact O-N 2.81Å; K274-Y276 PolarHBondContact O-N 3.3Å; K274-R277 PolarHBondContact O-N 3.18Å; K274-V278 WeakPolarHBondContact O-CB 3.29Å; K274-V278 VanDerWaalsContact O-CG2 3.24Å; K274-V278 WeakPolarHBondContact O-CG2 3.46Å; K274-V278 PolarHBondContact O-N 3.32Å
275	R	85.8	Confident	84.9	Confident	188 Å²	188	96.9 Å²	96.9	71%	0.709	47%	0.471	S	S	*	.	H	α-helix	trans	-61.1	-43.7	176.9	-171.2	175.4	-179.1	176	0.4	111.5	L271 S272 V278 I279	L271-R275 VanDerWaalsContact O-CB 3.29Å; L271-R275 WeakPolarHBondContact O-CB 3.41Å; L271-R275 PolarHBondContact O-N 3.42Å; S272-R275 PolarHBondContact O-N 3.38Å; R275-V278 PolarHBondContact O-N 2.96Å; R275-I279 HydrophobicContact CG-CD1 3.85Å; R275-I279 WeakPolarHBondContact O-CB 3.24Å; R275-I279 VanDerWaalsContact O-CG1 3.23Å; R275-I279 WeakPolarHBondContact O-CG1 3.43Å; R275-I279 PolarHBondContact O-N 3.48Å
276	Y	86.5	Confident	84.1	Confident	134 Å²	134	97.5 Å²	97.5	53%	0.525	48%	0.475	S	S	.	.	H	α-helix	trans	-61.8	-47.1	174.9	172.3	-97.9	0	0	0	111.8	S272 Y273 K274 V278 I279 K280	S272-Y276 VanDerWaalsContact O-CB 3.3Å; S272-Y276 WeakPolarHBondContact O-CB 3.23Å; S272-Y276 PolarHBondContact O-N 2.77Å; Y273-Y276 PolarHBondContact O-N 3.32Å; K274-Y276 PolarHBondContact O-N 3.3Å; Y276-V278 VanDerWaalsContact C-N 3.3Å; Y276-V278 PolarHBondContact O-N 2.89Å; Y276-I279 PolarHBondContact O-N 3.39Å; Y276-K280 HydrophobicContact CE1-CD 4.02Å; Y276-K280 VanDerWaalsContact O-CB 3.25Å; Y276-K280 WeakPolarHBondContact O-CB 3.4Å; Y276-K280 PolarHBondContact O-N 3.47Å
277	R	83.9	Confident	83.7	Confident	167 Å²	167	95.5 Å²	95.5	63%	0.63	46%	0.456	S	S	*	.	H	α-helix	trans	-58.6	-43.2	177.2	-114.4	-163.7	73	-179.3	2.3	111.6	Y273 K274 A281	Y273-R277 WeakPolarHBondContact O-CB 3.45Å; Y273-R277 PolarHBondContact O-N 2.93Å; K274-R277 PolarHBondContact O-N 3.18Å; R277-A281 WeakPolarHBondContact O-CB 3.37Å; R277-A281 PolarHBondContact O-N 3.23Å
278	V	78.3	Confident	83.4	Confident	63 Å²	63	93.8 Å²	93.8	38%	0.382	44%	0.444	S	S	.	.	H	α-helix	trans	-65.7	-47.3	178.4	169.6	0	0	0	0	110.8	K274 R275 Y276 K280 A281 Y282	K274-V278 WeakPolarHBondContact O-CB 3.29Å; K274-V278 VanDerWaalsContact O-CG2 3.24Å; K274-V278 WeakPolarHBondContact O-CG2 3.46Å; K274-V278 PolarHBondContact O-N 3.32Å; R275-V278 PolarHBondContact O-N 2.96Å; Y276-V278 VanDerWaalsContact C-N 3.3Å; Y276-V278 PolarHBondContact O-N 2.89Å; V278-K280 PolarHBondContact O-N 2.95Å; V278-A281 WeakPolarHBondContact O-CB 3.45Å; V278-A281 PolarHBondContact O-N 3.3Å; V278-Y282 HydrophobicContact CG1-CD2 4.32Å; V278-Y282 HydrophobicContact CG1-CE1 3.74Å; V278-Y282 HydrophobicContact CG1-CE2 3.47Å; V278-Y282 VanDerWaalsContact CG1-CE2 3.47Å; V278-Y282 WeakPolarHBondContact CG1-OH 3.48Å; V278-Y282 WeakPolarHBondContact O-CD1 3.25Å; V278-Y282 VanDerWaalsContact O-CG 3.27Å; V278-Y282 PolarHBondContact O-N 3.38Å
279	I	78.9	Confident	83	Confident	48 Å²	48	90 Å²	90	25%	0.246	42%	0.424	C	S	.	.	H	α-helix	trans	-62.8	-42	176.1	-68.4	168.1	0	0	0	111.6	R275 Y276 A281 Y282 R283 F360	R275-I279 HydrophobicContact CG-CD1 3.85Å; R275-I279 WeakPolarHBondContact O-CB 3.24Å; R275-I279 VanDerWaalsContact O-CG1 3.23Å; R275-I279 WeakPolarHBondContact O-CG1 3.43Å; R275-I279 PolarHBondContact O-N 3.48Å; Y276-I279 PolarHBondContact O-N 3.39Å; I279-A281 VanDerWaalsContact C-N 3.29Å; I279-A281 PolarHBondContact O-N 3.38Å; I279-Y282 WeakPolarHBondContact O-CB 3.48Å; I279-Y282 PolarHBondContact O-N 3.45Å; I279-R283 WeakPolarHBondContact O-CG 3.05Å; I279-R283 PolarHBondContact O-N 2.77Å; I279-F360 HydrophobicContact CG1-CZ 4.47Å; I279-F360 HydrophobicContact CG2-CE2 4.32Å
280	K	82.1	Confident	82.6	Confident	125 Å²	125	88.8 Å²	88.8	54%	0.543	42%	0.416	S	S	.	.	H	α-helix	trans	-61	-40.6	175.3	-175.5	177.6	-178.9	176.4	0	110.7	Y276 V278 R283 S284	Y276-K280 HydrophobicContact CE1-CD 4.02Å; Y276-K280 VanDerWaalsContact O-CB 3.25Å; Y276-K280 WeakPolarHBondContact O-CB 3.4Å; Y276-K280 PolarHBondContact O-N 3.47Å; V278-K280 PolarHBondContact O-N 2.95Å; K280-R283 PolarHBondContact O-N 3.48Å; K280-S284 PolarHBondContact O-N 3.17Å
281	A	76.5	Confident	82	Confident	29 Å²	29	87.5 Å²	87.5	24%	0.24	41%	0.407	C	S	.	.	H	α-helix	trans	-64.8	-40.8	176.1	0	0	0	0	0	111.8	R277 V278 I279 R283 S284 F367	R277-A281 WeakPolarHBondContact O-CB 3.37Å; R277-A281 PolarHBondContact O-N 3.23Å; V278-A281 WeakPolarHBondContact O-CB 3.45Å; V278-A281 PolarHBondContact O-N 3.3Å; I279-A281 VanDerWaalsContact C-N 3.29Å; I279-A281 PolarHBondContact O-N 3.38Å; A281-R283 PolarHBondContact O-N 2.73Å; A281-S284 PolarHBondContact O-N 2.99Å; A281-S284 PolarHBondContact O-OG 3.3Å; A281-F367 HydrophobicContact CB-CE1 4.41Å; A281-F367 HydrophobicContact CB-CE2 3.56Å; A281-F367 HydrophobicContact CB-CZ 3.37Å
282	Y	75.3	Confident	81.4	Confident	35 Å²	35	92.8 Å²	92.8	14%	0.137	42%	0.421	C	S	.	.	H	α-helix	trans	-60.9	-42.7	173	-55.8	-24.9	0	0	0	112.2	V278 I279 F360 K364 F367	V278-Y282 HydrophobicContact CG1-CD2 4.32Å; V278-Y282 HydrophobicContact CG1-CE1 3.74Å; V278-Y282 HydrophobicContact CG1-CE2 3.47Å; V278-Y282 VanDerWaalsContact CG1-CE2 3.47Å; V278-Y282 WeakPolarHBondContact CG1-OH 3.48Å; V278-Y282 WeakPolarHBondContact O-CD1 3.25Å; V278-Y282 VanDerWaalsContact O-CG 3.27Å; V278-Y282 PolarHBondContact O-N 3.38Å; I279-Y282 WeakPolarHBondContact O-CB 3.48Å; I279-Y282 PolarHBondContact O-N 3.45Å; Y282-F360 HydrophobicContact CD2-CE2 4.28Å; Y282-F360 AromaticContact CD2-CZ 3.97Å; Y282-F360 HydrophobicContact CD2-CZ 3.97Å; Y282-K364 HydrophobicContact CD2-CB 4.28Å; Y282-K364 HydrophobicContact CD2-CG 4.23Å; Y282-K364 HydrophobicContact CE2-CB 4.34Å; Y282-K364 HydrophobicContact CE2-CD 4.35Å; Y282-K364 HydrophobicContact CE2-CG 3.78Å; Y282-F367 HydrophobicContact CD1-CB 3.69Å; Y282-F367 AromaticContact CD1-CD1 3.35Å; Y282-F367 HydrophobicContact CD1-CD1 3.35Å; Y282-F367 AromaticContact CD1-CD2 3.93Å; Y282-F367 HydrophobicContact CD1-CD2 3.93Å; Y282-F367 AromaticContact CD1-CE1 3.74Å; Y282-F367 HydrophobicContact CD1-CE1 3.74Å; Y282-F367 HydrophobicContact CD1-CE2 4.31Å; Y282-F367 AromaticContact CD1-CG 3.4Å; Y282-F367 HydrophobicContact CD1-CG 3.4Å; Y282-F367 VanDerWaalsContact CD1-CG 3.4Å; Y282-F367 HydrophobicContact CD1-CZ 4.18Å; Y282-F367 HydrophobicContact CE1-CB 4.07Å; Y282-F367 AromaticContact CE1-CD1 3.14Å; Y282-F367 HydrophobicContact CE1-CD1 3.14Å; Y282-F367 AromaticContact CE1-CE1 3.47Å; Y282-F367 HydrophobicContact CE1-CE1 3.47Å; Y282-F367 VanDerWaalsContact CE1-CE1 3.47Å; Y282-F367 AromaticContact CE1-CG 3.71Å; Y282-F367 HydrophobicContact CE1-CG 3.71Å; Y282-F367 HydrophobicContact CE1-CZ 4.31Å
283	R	73.1	Confident	81	Confident	183 Å²	183	93.5 Å²	93.5	69%	0.691	42%	0.42	S	S	*	.	H	α-helix	trans	-74.3	-22.1	-179.5	-73.7	-175.3	178.1	-176.6	-0.7	114.3	I279 K280 A281 K285	I279-R283 WeakPolarHBondContact O-CG 3.05Å; I279-R283 PolarHBondContact O-N 2.77Å; K280-R283 PolarHBondContact O-N 3.48Å; A281-R283 PolarHBondContact O-N 2.73Å; R283-K285 PolarHBondContact O-N 2.92Å; R283-K285 VanDerWaalsContact O-N 3.17Å
284	S	74.8	Confident	80.4	Confident	54 Å²	54	87.1 Å²	87.1	38%	0.378	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-21.7	-178.4	67.8	0	0	0	0	113.4	K280 A281 N286	K280-S284 PolarHBondContact O-N 3.17Å; A281-S284 PolarHBondContact O-N 2.99Å; A281-S284 PolarHBondContact O-OG 3.3Å; S284-N286 PolarHBondContact O-N 2.9Å; S284-N286 PolarHBondContact O-OD1 2.94Å; S284-N286 VanDerWaalsContact O-OD1 3.13Å
285	K	77	Confident	79.8	Confident	43 Å²	43	88.4 Å²	88.4	19%	0.187	40%	0.401	C	S	.	.			trans	48.3	27.7	179.3	-63.4	-168.5	176	-156.8	0	114.1	R283 W287 I288 P355 L356	R283-K285 PolarHBondContact O-N 2.92Å; R283-K285 VanDerWaalsContact O-N 3.17Å; K285-W287 HydrophobicContact CB-CZ2 4.46Å; K285-W287 HydrophobicContact CG-CZ2 4.08Å; K285-W287 PolarHBondContact O-N 2.74Å; K285-I288 HydrophobicContact CB-CD1 3.91Å; K285-I288 HydrophobicContact CB-CG1 4.25Å; K285-I288 HydrophobicContact CD-CD1 3.87Å; K285-I288 HydrophobicContact CG-CD1 4.36Å; K285-I288 WeakPolarHBondContact O-CB 3.45Å; K285-I288 PolarHBondContact O-N 2.88Å; K285-P355 PolarHBondContact NZ-O 3.13Å; K285-L356 PolarHBondContact NZ-O 2.96Å
286	N	78.3	Confident	78.9	Confident	132 Å²	132	81.4 Å²	81.4	71%	0.706	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-10.8	179.1	-67.5	-5.6	0	0	0	114.3	S284 I288	S284-N286 PolarHBondContact O-N 2.9Å; S284-N286 PolarHBondContact O-OD1 2.94Å; S284-N286 VanDerWaalsContact O-OD1 3.13Å; N286-I288 VanDerWaalsContact C-N 3.34Å
287	W	82.4	Confident	77.6	Confident	14 Å²	14	80.4 Å²	80.4	5%	0.053	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-7.9	174.9	49.9	-100.4	0	0	0	113.3	K285 L289 P355 F358 C363 L366 L370 G382 L383	K285-W287 HydrophobicContact CB-CZ2 4.46Å; K285-W287 HydrophobicContact CG-CZ2 4.08Å; K285-W287 PolarHBondContact O-N 2.74Å; W287-L289 PolarHBondContact O-N 2.97Å; W287-P355 HydrophobicContact CH2-CB 4.39Å; W287-P355 HydrophobicContact CZ3-CB 4.07Å; W287-F358 AromaticContact CH2-CD2 3.97Å; W287-F358 HydrophobicContact CH2-CD2 3.97Å; W287-F358 HydrophobicContact CZ3-CD2 4.45Å; W287-C363 HydrophobicContact CZ2-CB 4.34Å; W287-L366 HydrophobicContact CH2-CD1 3.89Å; W287-L366 HydrophobicContact CZ2-CD1 4.27Å; W287-L366 HydrophobicContact CZ3-CD1 4.03Å; W287-L370 HydrophobicContact CB-CD1 3.3Å; W287-L370 HydrophobicContact CD2-CD1 4.41Å; W287-L370 HydrophobicContact CG-CD1 3.59Å; W287-G382 CarbonylContact O-C 3.52Å; W287-G382 WeakPolarHBondContact O-CA 3.45Å; W287-L383 HydrophobicContact CE3-CD1 4.19Å; W287-L383 HydrophobicContact CE3-CG 4.26Å; W287-L383 HydrophobicContact CZ3-CD1 3.73Å; W287-L383 HydrophobicContact CZ3-CG 4.28Å; W287-L383 PolarHBondContact O-N 2.68Å
288	I	85.3	Confident	75.6	Confident	39 Å²	39	79.9 Å²	79.9	20%	0.2	38%	0.381	C	S	.	.	B	Isolated β-bridge	trans	-79.8	112.3	165.6	-58.3	179.8	0	0	0	106.6	K285 N286 P355 L356 L383	K285-I288 HydrophobicContact CB-CD1 3.91Å; K285-I288 HydrophobicContact CB-CG1 4.25Å; K285-I288 HydrophobicContact CD-CD1 3.87Å; K285-I288 HydrophobicContact CG-CD1 4.36Å; K285-I288 WeakPolarHBondContact O-CB 3.45Å; K285-I288 PolarHBondContact O-N 2.88Å; N286-I288 VanDerWaalsContact C-N 3.34Å; I288-P355 HydrophobicContact CD1-CB 3.9Å; I288-P355 HydrophobicContact CD1-CG 4.46Å; I288-P355 HydrophobicContact CG1-CB 4.24Å; I288-L356 HydrophobicContact CD1-CD2 3.76Å; I288-L356 HydrophobicContact CD1-CG 4.19Å; I288-L383 CarbonylContact C-O 3.44Å; I288-L383 WeakPolarHBondContact CA-O 3.38Å
289	L	86.4	Confident	73.7	Confident	18 Å²	18	84.5 Å²	84.5	9%	0.094	39%	0.392	C	S	.	.			trans	-83.9	144.1	-179.2	-51.5	179.1	0	0	0	109.2	W287 I294 F339 V381 L383 V384 V393	W287-L289 PolarHBondContact O-N 2.97Å; L289-I294 HydrophobicContact CB-CD1 4.14Å; L289-I294 HydrophobicContact CD1-CD1 3.91Å; L289-F339 HydrophobicContact CB-CE2 4.42Å; L289-F339 HydrophobicContact CD1-CD2 4.4Å; L289-F339 HydrophobicContact CD1-CE2 4.25Å; L289-F339 HydrophobicContact CD1-CZ 4.4Å; L289-F339 HydrophobicContact CD2-CE1 4.33Å; L289-F339 HydrophobicContact CD2-CE2 3.95Å; L289-F339 HydrophobicContact CD2-CZ 3.64Å; L289-F339 HydrophobicContact CG-CE2 4.43Å; L289-V381 HydrophobicContact CD1-CG1 4.16Å; L289-L383 PolarHBondContact N-O 3.08Å; L289-V384 HydrophobicContact CB-CB 4.25Å; L289-V393 HydrophobicContact CD1-CB 3.92Å; L289-V393 HydrophobicContact CD1-CG1 4.09Å; L289-V393 HydrophobicContact CD1-CG2 3.97Å
290	S	83	Confident	71.5	Confident	50 Å²	50	87.9 Å²	87.9	35%	0.35	41%	0.409	S	S	.	.			trans	-72.5	135.2	171.8	-173.2	0	0	0	0	109.5	Y292 D293	S290-Y292 PolarHBondContact O-N 3.19Å; S290-Y292 WeakPolarHBondContact OG-CD2 3.17Å; S290-D293 WeakPolarHBondContact O-CB 3.36Å; S290-D293 PolarHBondContact O-N 3.48Å
291	E	79	Confident	69.1	Low	73 Å²	73	86.7 Å²	86.7	34%	0.341	41%	0.412	S	S	.	.	G	3₁₀ helix	trans	-55	-35.9	173.5	-172.1	-175.9	167	0	0	111.3	D293 I294 F296 V384 K386	E291-D293 PolarHBondContact O-N 2.91Å; E291-I294 PolarHBondContact O-N 3.37Å; E291-I294 VanDerWaalsContact O-N 3.15Å; E291-F296 HydrophobicContact CG-CE2 4Å; E291-V384 HydrophobicContact CB-CG2 4.15Å; E291-K386 HydrophobicContact CG-CB 4.19Å; E291-K386 HydrophobicContact CG-CD 4.23Å; E291-K386 HydrophobicContact CG-CG 4.37Å; E291-K386 WeakPolarHBondContact OE1-CD 3.34Å; E291-K386 VanDerWaalsContact OE1-CE 3.23Å; E291-K386 WeakPolarHBondContact OE1-CE 3.34Å; E291-K386 WeakPolarHBondContact OE1-CG 3.38Å
292	Y	79.6	Confident	66.9	Low	216 Å²	216	93.7 Å²	93.7	85%	0.847	44%	0.439	S	S	*	.	G	3₁₀ helix	trans	-65.3	-21.4	178.4	-58.6	-74.4	0	0	0	114.2	S290 I294	S290-Y292 PolarHBondContact O-N 3.19Å; S290-Y292 WeakPolarHBondContact OG-CD2 3.17Å; Y292-I294 VanDerWaalsContact C-N 3.29Å
293	D	80.5	Confident	64.6	Low	82 Å²	82	94.6 Å²	94.6	44%	0.439	46%	0.459	S	S	.	.	G	3₁₀ helix	trans	-83.6	-9.1	178.8	-67.6	-21.9	0	0	0	112.4	S290 E291 F339	S290-D293 WeakPolarHBondContact O-CB 3.36Å; S290-D293 PolarHBondContact O-N 3.48Å; E291-D293 PolarHBondContact O-N 2.91Å; D293-F339 HydrophobicContact CB-CD2 3.92Å; D293-F339 HydrophobicContact CB-CE2 3.67Å
294	I	77.1	Confident	62.3	Low	8 Å²	8	93.6 Å²	93.6	4%	0.041	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	117.5	-175.7	-63.2	177.2	0	0	0	109.7	L289 E291 Y292 F296 R338 F339 M346 V384 V393	L289-I294 HydrophobicContact CB-CD1 4.14Å; L289-I294 HydrophobicContact CD1-CD1 3.91Å; E291-I294 PolarHBondContact O-N 3.37Å; E291-I294 VanDerWaalsContact O-N 3.15Å; Y292-I294 VanDerWaalsContact C-N 3.29Å; I294-F296 HydrophobicContact CB-CD2 4.43Å; I294-F296 HydrophobicContact CB-CE2 3.91Å; I294-F296 HydrophobicContact CB-CZ 4.46Å; I294-F296 HydrophobicContact CG2-CD2 3.91Å; I294-F296 HydrophobicContact CG2-CE2 3.64Å; I294-F296 HydrophobicContact CG2-CG 4.45Å; I294-F296 HydrophobicContact CG2-CZ 3.98Å; I294-F296 WeakPolarHBondContact O-CD2 3.35Å; I294-F296 PolarHBondContact O-N 3.47Å; I294-R338 WeakPolarHBondContact CA-O 3.4Å; I294-F339 HydrophobicContact CD1-CD2 4.39Å; I294-F339 HydrophobicContact CG1-CB 4.24Å; I294-F339 HydrophobicContact CG1-CD2 3.71Å; I294-F339 HydrophobicContact CG1-CG 4.38Å; I294-M346 HydrophobicContact CG2-SD 3.62Å; I294-V384 HydrophobicContact CD1-CB 3.84Å; I294-V384 HydrophobicContact CD1-CG1 3.71Å; I294-V384 HydrophobicContact CD1-CG2 4.09Å; I294-V393 HydrophobicContact CD1-CG1 4.47Å; I294-V393 HydrophobicContact CD1-CG2 3.9Å
295	K	72.7	Confident	60	Low	156 Å²	156	100.5 Å²	100.5	68%	0.678	49%	0.491	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.3	109.7	164.6	-73.5	-170.4	176.9	-172.4	0	108.6	G337 R338	K295-G337 CarbonylContact O-C 3.56Å; K295-G337 WeakPolarHBondContact O-CA 3.25Å; K295-R338 HydrophobicContact CB-CB 4.38Å; K295-R338 PolarHBondContact N-O 2.8Å; K295-R338 PolarHBondContact O-N 3.43Å
296	F	67.3	Low	57.5	Low	40 Å²	40	108.5 Å²	108.5	18%	0.175	52%	0.521	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	124	169.4	-66	-103.2	0	0	0	107.7	E291 I294 M346 V384 K386 Y391	E291-F296 HydrophobicContact CG-CE2 4Å; I294-F296 HydrophobicContact CB-CD2 4.43Å; I294-F296 HydrophobicContact CB-CE2 3.91Å; I294-F296 HydrophobicContact CB-CZ 4.46Å; I294-F296 HydrophobicContact CG2-CD2 3.91Å; I294-F296 HydrophobicContact CG2-CE2 3.64Å; I294-F296 HydrophobicContact CG2-CG 4.45Å; I294-F296 HydrophobicContact CG2-CZ 3.98Å; I294-F296 WeakPolarHBondContact O-CD2 3.35Å; I294-F296 PolarHBondContact O-N 3.47Å; F296-M346 HydrophobicContact CD1-CE 3.21Å; F296-M346 HydrophobicContact CD1-SD 3.96Å; F296-M346 HydrophobicContact CE1-CE 3.43Å; F296-M346 VanDerWaalsContact CE1-CE 3.43Å; F296-M346 HydrophobicContact CE1-SD 3.64Å; F296-M346 HydrophobicContact CG-CE 4.06Å; F296-M346 HydrophobicContact CZ-CE 4.42Å; F296-M346 HydrophobicContact CZ-SD 4.13Å; F296-V384 HydrophobicContact CZ-CG1 4.13Å; F296-K386 HydrophobicContact CD1-CD 3.84Å; F296-K386 HydrophobicContact CD2-CD 3.73Å; F296-K386 VanDerWaalsContact CD2-NZ 3.3Å; F296-K386 HydrophobicContact CE1-CB 4.39Å; F296-K386 HydrophobicContact CE1-CD 3.61Å; F296-K386 HydrophobicContact CE2-CD 3.49Å; F296-K386 VanDerWaalsContact CE2-CD 3.49Å; F296-K386 HydrophobicContact CG-CD 3.93Å; F296-K386 HydrophobicContact CZ-CB 3.97Å; F296-K386 HydrophobicContact CZ-CD 3.44Å; F296-K386 VanDerWaalsContact CZ-CD 3.44Å; F296-K386 HydrophobicContact CZ-CG 4.35Å; F296-Y391 HydrophobicContact CE1-CD2 4.27Å; F296-Y391 HydrophobicContact CE1-CE2 4.31Å
297	W	58.7	Low	54.9	Low	114 Å²	114	107.1 Å²	107.1	43%	0.432	52%	0.522	S	S	.	.			trans	-83.8	129.4	168.1	-60.8	104.4	0	0	0	107.9	Y299 S336 R338	W297-Y299 HydrophobicContact CB-CD2 4.37Å; W297-Y299 PolarHBondContact O-N 2.97Å; W297-S336 PolarHBondContact N-O 3.38Å; W297-R338 HydrophobicContact CZ2-CG 4.42Å
298	D	41.2	Very low	52.1	Low	156 Å²	156	111.6 Å²	111.6	83%	0.834	56%	0.555	S	S	*	*			trans	-73	70.8	172.7	-71.6	-31.2	0	0	0	109.2
299	Y	38.3	Very low	49.2	Very low	159 Å²	159	118.4 Å²	118.4	62%	0.624	59%	0.588	S	S	*	*			trans	-130.9	82.4	172.4	-84.5	-87.6	0	0	0	109.6	W297 V301	W297-Y299 HydrophobicContact CB-CD2 4.37Å; W297-Y299 PolarHBondContact O-N 2.97Å; Y299-V301 HydrophobicContact CD1-CB 4.29Å
300	M	34	Very low	46.2	Very low	120 Å²	120	122.4 Å²	122.4	59%	0.591	62%	0.618	S	S	*	*			trans	-88.9	61.6	146	-75.2	-156.1	-90.2	0	0	108.6	W329	M300-W329 HydrophobicContact CE-CD2 3.99Å; M300-W329 HydrophobicContact CE-CE3 3.57Å; M300-W329 HydrophobicContact CE-CH2 3.32Å; M300-W329 HydrophobicContact CE-CZ2 3.71Å; M300-W329 HydrophobicContact CE-CZ3 3.19Å; M300-W329 HydrophobicContact SD-CD2 3.78Å; M300-W329 HydrophobicContact SD-CE3 3.27Å; M300-W329 HydrophobicContact SD-CH2 4.22Å; M300-W329 HydrophobicContact SD-CZ3 3.51Å; M300-W329 VanDerWaalsContact SD-CZ3 3.51Å
301	V	31.1	Very low	43.5	Very low	100 Å²	100	125.3 Å²	125.3	61%	0.606	64%	0.638	S	S	*	*			trans	-148.1	100.9	175.4	-173	0	0	0	0	109.6	Y299	Y299-V301 HydrophobicContact CD1-CB 4.29Å
302	E	30.2	Very low	41	Very low	176 Å²	176	127 Å²	127	82%	0.822	66%	0.658	S	S	*	*				-158.4	69.1	120.4	-106.9	176.9	-166.1	0	0	108.7
303	G	27.3	Very low	38.5	Very low	54 Å²	54	121.5 Å²	121.5	56%	0.557	65%	0.652	S	S	*	*	S	Bend	trans	-117.2	122.9	141.3	0	0	0	0	0	104.4	K305	G303-K305 VanDerWaalsContact C-N 3.33Å; G303-K305 PolarHBondContact O-N 3.23Å
304	N	24.7	Very low	35.9	Very low	161 Å²	161	125.5 Å²	125.5	86%	0.861	67%	0.672	S	S	*	*			trans	-48.6	96.5	174.1	-86.5	-37.2	0	0	0	110.3	Y306	N304-Y306 PolarHBondContact O-N 3.21Å; N304-Y306 VanDerWaalsContact O-N 3.16Å
305	K	26.1	Very low	33.5	Very low	200 Å²	200	130.7 Å²	130.7	87%	0.87	71%	0.709	S	S	*	*			trans	-76.9	95.6	159.7	-82.7	-172.5	177.6	-180	0	106.6	G303 S307	G303-K305 VanDerWaalsContact C-N 3.33Å; G303-K305 PolarHBondContact O-N 3.23Å; K305-S307 PolarHBondContact O-N 2.92Å; K305-S307 VanDerWaalsContact O-N 3.15Å
306	Y	24.8	Very low	31.5	Very low	210 Å²	210	134.4 Å²	134.4	82%	0.824	72%	0.719	S	S	*	*			trans	-50	116.9	138.3	-81.4	-85.2	0	0	0	107.3	N304 S308	N304-Y306 PolarHBondContact O-N 3.21Å; N304-Y306 VanDerWaalsContact O-N 3.16Å; Y306-S308 PolarHBondContact O-N 3.43Å
307	S	23.3	Very low	29.7	Very low	103 Å²	103	141.5 Å²	141.5	72%	0.72	75%	0.752	S	S	*	*	S	Bend	trans	-15.3	120.6	144.6	50.1	0	0	0	0	111.2	K305	K305-S307 PolarHBondContact O-N 2.92Å; K305-S307 VanDerWaalsContact O-N 3.15Å
308	S	23.2	Very low	28.3	Very low	108 Å²	108	141.4 Å²	141.4	76%	0.755	77%	0.769	S	S	*	*				-170.8	137.1	59	49.5	0	0	0	0	108.6	Y306	Y306-S308 PolarHBondContact O-N 3.43Å
309	M	24.9	Very low	27.7	Very low	182 Å²	182	144.4 Å²	144.4	90%	0.897	77%	0.774	S	S	*	*			trans	-167.9	110.4	130.4	-102	-177.7	85.3	0	0	109.5
310	S	23.2	Very low	27.3	Very low	102 Å²	102	139.6 Å²	139.6	71%	0.713	77%	0.773	S	S	*	*			trans	-64.4	158.8	161	38.7	0	0	0	0	111.9
311	S	26	Very low	27.3	Very low	111 Å²	111	142.6 Å²	142.6	78%	0.776	79%	0.792	S	S	*	*			trans	70.4	136.9	166.6	57.1	0	0	0	0	117.6
312	S	26.5	Very low	27.5	Very low	109 Å²	109	146 Å²	146	76%	0.762	80%	0.801	S	S	*	*			cis	-172.3	156.3	3.3	37	0	0	0	0	108.9
313	S	27.2	Very low	27.8	Very low	101 Å²	101	141.6 Å²	141.6	71%	0.706	78%	0.779	S	S	*	*			trans	-56.4	157.9	169.6	42.3	0	0	0	0	115.8
314	L	25.8	Very low	28.5	Very low	165 Å²	165	142.5 Å²	142.5	86%	0.864	77%	0.771	S	S	*	*			trans	79.2	119.3	175.9	-66.6	97.9	0	0	0	114.5
315	S	27.4	Very low	29	Very low	117 Å²	117	138.9 Å²	138.9	82%	0.818	76%	0.756	S	S	*	*				-160.3	150.4	66.1	53	0	0	0	0	113.7
316	R	31	Very low	29.9	Very low	234 Å²	234	134.4 Å²	134.4	88%	0.883	74%	0.742	S	S	*	*			trans	-83.3	149.3	162.9	-80.9	174.9	179.1	151.4	-0.1	109.2
317	H	28	Very low	31	Very low	190 Å²	190	129.4 Å²	129.4	88%	0.88	73%	0.726	S	S	*	*			trans	94.8	99.1	171.5	-64.5	-42.9	0	0	0	117.3
318	S	30	Very low	32.1	Very low	112 Å²	112	125.3 Å²	125.3	78%	0.783	70%	0.695	S	S	*	*				-159.8	148.2	117.5	61.6	0	0	0	0	110.3
319	K	29.3	Very low	33.3	Very low	218 Å²	218	123.4 Å²	123.4	95%	0.948	67%	0.672	S	S	*	*			trans	-78.3	118.4	169.1	-75.7	173.9	171.4	177.8	0	107.5
320	G	29.8	Very low	34.5	Very low	58 Å²	58	116.6 Å²	116.6	60%	0.598	64%	0.637	S	S	*	*			trans	178.6	128.4	170.7	0	0	0	0	0	107.4	E322	G320-E322 PolarHBondContact O-N 3.24Å
321	N	34.3	Very low	35.9	Very low	183 Å²	183	112.2 Å²	112.2	98%	0.979	61%	0.605	S	S	*	*			trans	-69.7	66	173.2	-79.4	-3.6	0	0	0	109.5
322	E	34.3	Very low	37.3	Very low	173 Å²	173	107.7 Å²	107.7	81%	0.808	57%	0.571	S	S	*	*			trans	-89.2	117	166.1	-95.3	179.9	156.8	0	0	108.2	G320 N324	G320-E322 PolarHBondContact O-N 3.24Å; E322-N324 PolarHBondContact O-N 3.34Å; E322-N324 VanDerWaalsContact O-N 3.13Å
323	F	36.5	Very low	39.1	Very low	83 Å²	83	105.7 Å²	105.7	36%	0.364	55%	0.551	S	S	.	*			trans	-46.6	114.5	172.3	176.9	-97.9	0	0	0	110	P325 Y328 N484	F323-P325 HydrophobicContact CE1-CB 4.4Å; F323-P325 VanDerWaalsContact O-CD 3.24Å; F323-P325 WeakPolarHBondContact O-CD 3.36Å; F323-Y328 AromaticContact CE2-CD2 3.5Å; F323-Y328 HydrophobicContact CE2-CD2 3.5Å; F323-Y328 AromaticContact CE2-CE2 3.86Å; F323-Y328 HydrophobicContact CE2-CE2 3.86Å; F323-Y328 HydrophobicContact CE2-CG 4.23Å; F323-Y328 AromaticContact CZ-CD2 3.76Å; F323-Y328 HydrophobicContact CZ-CD2 3.76Å; F323-Y328 HydrophobicContact CZ-CE2 4.33Å; F323-Y328 HydrophobicContact CZ-CG 4.01Å; F323-N484 HydrophobicContact CD1-CB 3.92Å; F323-N484 HydrophobicContact CE1-CB 3.8Å; F323-N484 HydrophobicContact CG-CB 4.47Å; F323-N484 HydrophobicContact CZ-CB 4.27Å
324	N	42.3	Very low	41.2	Very low	73 Å²	73	102.6 Å²	102.6	39%	0.39	53%	0.532	S	S	.	.			trans	-95.6	105.9	177.9	-172.7	-6.9	0	0	0	109.2	E322 D326 Q327 Y328	E322-N324 PolarHBondContact O-N 3.34Å; E322-N324 VanDerWaalsContact O-N 3.13Å; N324-D326 PolarHBondContact O-N 3.47Å; N324-D326 VanDerWaalsContact O-N 3.09Å; N324-D326 WeakPolarHBondContact OD1-CB 3.41Å; N324-D326 PolarHBondContact OD1-N 3.4Å; N324-Q327 HydrophobicContact CB-CB 4.38Å; N324-Q327 HydrophobicContact CB-CG 4.22Å; N324-Q327 PolarHBondContact O-N 2.95Å; N324-Y328 PolarHBondContact O-N 2.82Å
325	P	35.5	Very low	43.4	Very low	84 Å²	84	96 Å²	96	55%	0.545	50%	0.501	S	S	.	.	H	α-helix	trans	-59.9	-21.8	177.2	21.5	-30.2	0	0	0	112.4	F323 Q327 Y328	F323-P325 HydrophobicContact CE1-CB 4.4Å; F323-P325 VanDerWaalsContact O-CD 3.24Å; F323-P325 WeakPolarHBondContact O-CD 3.36Å; P325-Q327 VanDerWaalsContact C-N 3.29Å; P325-Q327 PolarHBondContact O-N 3.32Å; P325-Y328 PolarHBondContact O-N 3.3Å
326	D	44.3	Very low	45.6	Very low	106 Å²	106	93 Å²	93	57%	0.567	48%	0.481	S	S	*	.	H	α-helix	trans	-76.1	-8.8	172.5	-79.4	-34.2	0	0	0	114.8	N324 W329	N324-D326 PolarHBondContact O-N 3.47Å; N324-D326 VanDerWaalsContact O-N 3.09Å; N324-D326 WeakPolarHBondContact OD1-CB 3.41Å; N324-D326 PolarHBondContact OD1-N 3.4Å; D326-W329 WeakPolarHBondContact O-CZ2 3.37Å; D326-W329 PolarHBondContact O-NE1 3Å; D326-W329 PolarHBondContact OD1-NE1 2.95Å; D326-W329 VanDerWaalsContact OD1-NE1 3.12Å
327	Q	48.8	Very low	47.8	Very low	106 Å²	106	81.9 Å²	81.9	50%	0.495	44%	0.439	S	S	.	.	H	α-helix	trans	-90	-33.8	168.2	-75.6	-177.8	-19.7	0	0	110.4	N324 P325 W329 K330 F331	N324-Q327 HydrophobicContact CB-CB 4.38Å; N324-Q327 HydrophobicContact CB-CG 4.22Å; N324-Q327 PolarHBondContact O-N 2.95Å; P325-Q327 VanDerWaalsContact C-N 3.29Å; P325-Q327 PolarHBondContact O-N 3.32Å; Q327-W329 VanDerWaalsContact C-N 3.35Å; Q327-W329 PolarHBondContact O-N 3.38Å; Q327-K330 WeakPolarHBondContact O-CB 3.48Å; Q327-K330 PolarHBondContact O-N 3.03Å; Q327-F331 WeakPolarHBondContact O-CE2 3.35Å; Q327-F331 WeakPolarHBondContact O-CZ 3.46Å
328	Y	46.1	Very low	50.4	Low	17 Å²	17	78.3 Å²	78.3	7%	0.067	42%	0.417	C	S	.	.	H	α-helix	trans	-64.4	-34.2	-172.3	-142.9	-94	0	0	0	114.1	F323 N324 P325 K330 F331 Y332 M481	F323-Y328 AromaticContact CE2-CD2 3.5Å; F323-Y328 HydrophobicContact CE2-CD2 3.5Å; F323-Y328 AromaticContact CE2-CE2 3.86Å; F323-Y328 HydrophobicContact CE2-CE2 3.86Å; F323-Y328 HydrophobicContact CE2-CG 4.23Å; F323-Y328 AromaticContact CZ-CD2 3.76Å; F323-Y328 HydrophobicContact CZ-CD2 3.76Å; F323-Y328 HydrophobicContact CZ-CE2 4.33Å; F323-Y328 HydrophobicContact CZ-CG 4.01Å; N324-Y328 PolarHBondContact O-N 2.82Å; P325-Y328 PolarHBondContact O-N 3.3Å; Y328-K330 PolarHBondContact O-N 3.14Å; Y328-K330 VanDerWaalsContact O-N 3.08Å; Y328-F331 VanDerWaalsContact O-CD2 3.27Å; Y328-F331 WeakPolarHBondContact O-CD2 3.48Å; Y328-F331 PolarHBondContact O-N 2.85Å; Y328-F331 VanDerWaalsContact O-N 3.14Å; Y328-Y332 HydrophobicContact CD1-CD2 4.1Å; Y328-Y332 AromaticContact CD1-CE2 3.83Å; Y328-Y332 HydrophobicContact CD1-CE2 3.83Å; Y328-Y332 AromaticContact CE1-CD2 3.84Å; Y328-Y332 HydrophobicContact CE1-CD2 3.84Å; Y328-Y332 AromaticContact CE1-CE2 3.14Å; Y328-Y332 HydrophobicContact CE1-CE2 3.14Å; Y328-Y332 AromaticContact CE1-CZ 3.94Å; Y328-Y332 AromaticContact CZ-CE2 3.72Å; Y328-Y332 PolarHBondContact OH-OH 3.2Å; Y328-Y332 VanDerWaalsContact OH-OH 3.13Å; Y328-M481 HydrophobicContact CD1-CE 4.28Å; Y328-M481 HydrophobicContact CE1-CE 3.12Å; Y328-M481 HydrophobicContact CE1-SD 4.34Å; Y328-M481 HydrophobicContact CE2-CE 4.3Å; Y328-M481 WeakPolarHBondContact OH-CE 3.5Å; Y328-M481 PolarHBondContact OH-SD 3.22Å
329	W	48.9	Very low	53	Low	68 Å²	68	73.9 Å²	73.9	26%	0.258	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-19.3	179.5	53.3	-113.2	0	0	0	113.9	M300 D326 Q327 F331 L333	M300-W329 HydrophobicContact CE-CD2 3.99Å; M300-W329 HydrophobicContact CE-CE3 3.57Å; M300-W329 HydrophobicContact CE-CH2 3.32Å; M300-W329 HydrophobicContact CE-CZ2 3.71Å; M300-W329 HydrophobicContact CE-CZ3 3.19Å; M300-W329 HydrophobicContact SD-CD2 3.78Å; M300-W329 HydrophobicContact SD-CE3 3.27Å; M300-W329 HydrophobicContact SD-CH2 4.22Å; M300-W329 HydrophobicContact SD-CZ3 3.51Å; M300-W329 VanDerWaalsContact SD-CZ3 3.51Å; D326-W329 WeakPolarHBondContact O-CZ2 3.37Å; D326-W329 PolarHBondContact O-NE1 3Å; D326-W329 PolarHBondContact OD1-NE1 2.95Å; D326-W329 VanDerWaalsContact OD1-NE1 3.12Å; Q327-W329 VanDerWaalsContact C-N 3.35Å; Q327-W329 PolarHBondContact O-N 3.38Å; W329-F331 PolarHBondContact O-N 2.79Å; W329-L333 HydrophobicContact CB-CD1 4.09Å
330	K	49.3	Very low	55.6	Low	38 Å²	38	72.1 Å²	72.1	17%	0.165	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-24.1	177.7	-69.7	178.7	171.8	-174.3	0	113.1	Q327 Y328 G348 T389	Q327-K330 WeakPolarHBondContact O-CB 3.48Å; Q327-K330 PolarHBondContact O-N 3.03Å; Y328-K330 PolarHBondContact O-N 3.14Å; Y328-K330 VanDerWaalsContact O-N 3.08Å; K330-G348 WeakPolarHBondContact O-CA 3.42Å; K330-G348 PolarHBondContact O-N 3.34Å; K330-T389 HydrophobicContact CB-CG2 4.38Å; K330-T389 HydrophobicContact CD-CG2 3.99Å; K330-T389 WeakPolarHBondContact CD-OG1 3.2Å; K330-T389 PolarHBondContact NZ-OG1 2.83Å
331	F	52.6	Low	58	Low	11 Å²	11	80.2 Å²	80.2	5%	0.048	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-16.4	-165	-51.6	-55.3	0	0	0	114.6	Q327 Y328 W329 G348 S349 E350 T389	Q327-F331 WeakPolarHBondContact O-CE2 3.35Å; Q327-F331 WeakPolarHBondContact O-CZ 3.46Å; Y328-F331 VanDerWaalsContact O-CD2 3.27Å; Y328-F331 WeakPolarHBondContact O-CD2 3.48Å; Y328-F331 PolarHBondContact O-N 2.85Å; Y328-F331 VanDerWaalsContact O-N 3.14Å; W329-F331 PolarHBondContact O-N 2.79Å; F331-G348 WeakPolarHBondContact CA-O 3.17Å; F331-G348 WeakPolarHBondContact CD1-O 3.41Å; F331-S349 VanDerWaalsContact CD1-C 3.4Å; F331-S349 WeakPolarHBondContact CE1-O 3.15Å; F331-E350 HydrophobicContact CD1-CG 3.87Å; F331-E350 HydrophobicContact CD2-CG 3.7Å; F331-E350 HydrophobicContact CE1-CB 4.11Å; F331-E350 HydrophobicContact CE1-CG 3.36Å; F331-E350 VanDerWaalsContact CE2-CD 3.46Å; F331-E350 HydrophobicContact CE2-CG 3.12Å; F331-E350 WeakPolarHBondContact CE2-OE1 3.39Å; F331-E350 HydrophobicContact CG-CG 4.07Å; F331-E350 HydrophobicContact CZ-CB 4.12Å; F331-E350 HydrophobicContact CZ-CG 2.97Å; F331-T389 HydrophobicContact CE1-CG2 4.4Å
332	Y	56	Low	60.3	Low	15 Å²	15	77.3 Å²	77.3	6%	0.059	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120	-20.2	-172.7	-64.7	-82.7	0	0	0	113.3	Y328 L441 R493	Y328-Y332 HydrophobicContact CD1-CD2 4.1Å; Y328-Y332 AromaticContact CD1-CE2 3.83Å; Y328-Y332 HydrophobicContact CD1-CE2 3.83Å; Y328-Y332 AromaticContact CE1-CD2 3.84Å; Y328-Y332 HydrophobicContact CE1-CD2 3.84Å; Y328-Y332 AromaticContact CE1-CE2 3.14Å; Y328-Y332 HydrophobicContact CE1-CE2 3.14Å; Y328-Y332 AromaticContact CE1-CZ 3.94Å; Y328-Y332 AromaticContact CZ-CE2 3.72Å; Y328-Y332 PolarHBondContact OH-OH 3.2Å; Y328-Y332 VanDerWaalsContact OH-OH 3.13Å; Y332-L441 HydrophobicContact CE1-CD1 4.32Å; Y332-L441 HydrophobicContact CE1-CD2 4.2Å; Y332-R493 PolarHBondContact O-NH1 3.46Å; Y332-R493 PolarHBondContact O-NH2 2.71Å
333	L	64.3	Low	62.8	Low	67 Å²	67	74.1 Å²	74.1	35%	0.351	35%	0.349	S	S	.	.			trans	-90.7	123.8	-179.9	-77.1	150.4	0	0	0	110.7	W329 A335	W329-L333 HydrophobicContact CB-CD1 4.09Å; L333-A335 PolarHBondContact O-N 2.98Å
334	A	70.6	Confident	65.3	Low	37 Å²	37	70.3 Å²	70.3	31%	0.306	33%	0.333	S	S	.	.			trans	-70.4	115.9	167.6	0	0	0	0	0	108.7	L345 F347 F448	A334-L345 HydrophobicContact CB-CD2 4.35Å; A334-F347 HydrophobicContact CB-CD1 4.2Å; A334-F347 HydrophobicContact CB-CE1 3.5Å; A334-F347 HydrophobicContact CB-CZ 3.68Å; A334-F448 HydrophobicContact CB-CE1 4.47Å; A334-F448 HydrophobicContact CB-CE2 4.48Å; A334-F448 HydrophobicContact CB-CZ 3.66Å
335	A	72.1	Confident	67.5	Low	25 Å²	25	67.4 Å²	67.4	21%	0.207	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	140.7	168.6	0	0	0	0	0	109.7	L333 L345 M346	L333-A335 PolarHBondContact O-N 2.98Å; A335-L345 CarbonylContact O-C 3.53Å; A335-M346 HydrophobicContact CB-CB 4.44Å; A335-M346 HydrophobicContact CB-CE 3.93Å; A335-M346 PolarHBondContact N-O 3Å; A335-M346 PolarHBondContact O-N 2.73Å
336	S	73.6	Confident	69.9	Low	56 Å²	56	63.4 Å²	63.4	39%	0.392	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	144.8	171.7	63.3	0	0	0	0	110.6	W297	W297-S336 PolarHBondContact N-O 3.38Å
337	G	76.8	Confident	71.8	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	175.7	177.1	0	0	0	0	0	111.9	K295 E343 V344	K295-G337 CarbonylContact O-C 3.56Å; K295-G337 WeakPolarHBondContact O-CA 3.25Å; G337-E343 WeakPolarHBondContact O-CA 3.27Å; G337-V344 PolarHBondContact N-O 3.16Å; G337-V344 PolarHBondContact O-N 2.78Å
338	R	82.1	Confident	73.2	Confident	114 Å²	114	53.4 Å²	53.4	43%	0.43	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	128.5	164.5	-87.4	-174.9	178.6	174.7	-0.4	111	I294 K295 W297 K342 E343	I294-R338 WeakPolarHBondContact CA-O 3.4Å; K295-R338 HydrophobicContact CB-CB 4.38Å; K295-R338 PolarHBondContact N-O 2.8Å; K295-R338 PolarHBondContact O-N 3.43Å; W297-R338 HydrophobicContact CZ2-CG 4.42Å; R338-K342 CarbonylContact C-O 3.57Å; R338-K342 VanDerWaalsContact CA-O 3.28Å; R338-K342 WeakPolarHBondContact CA-O 3.41Å; R338-E343 HydrophobicContact CG-CG 4.29Å
339	F	84.5	Confident	74.6	Confident	20 Å²	20	52.7 Å²	52.7	9%	0.088	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	122.7	171.2	177.5	-108.8	0	0	0	108.9	L289 D293 I294 Y341 K342 V344 V381	L289-F339 HydrophobicContact CB-CE2 4.42Å; L289-F339 HydrophobicContact CD1-CD2 4.4Å; L289-F339 HydrophobicContact CD1-CE2 4.25Å; L289-F339 HydrophobicContact CD1-CZ 4.4Å; L289-F339 HydrophobicContact CD2-CE1 4.33Å; L289-F339 HydrophobicContact CD2-CE2 3.95Å; L289-F339 HydrophobicContact CD2-CZ 3.64Å; L289-F339 HydrophobicContact CG-CE2 4.43Å; D293-F339 HydrophobicContact CB-CD2 3.92Å; D293-F339 HydrophobicContact CB-CE2 3.67Å; I294-F339 HydrophobicContact CD1-CD2 4.39Å; I294-F339 HydrophobicContact CG1-CB 4.24Å; I294-F339 HydrophobicContact CG1-CD2 3.71Å; I294-F339 HydrophobicContact CG1-CG 4.38Å; F339-Y341 VanDerWaalsContact C-N 3.3Å; F339-Y341 PolarHBondContact O-N 2.91Å; F339-K342 PolarHBondContact N-O 3.27Å; F339-K342 PolarHBondContact O-N 3.45Å; F339-V344 HydrophobicContact CB-CG1 3.79Å; F339-V344 HydrophobicContact CB-CG2 4.1Å; F339-V381 HydrophobicContact CD1-CG1 3.92Å; F339-V381 HydrophobicContact CE1-CG1 3.83Å
340	R	83.9	Confident	75.4	Confident	181 Å²	181	52 Å²	52	68%	0.683	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	46.7	49.1	-179.2	-61.1	-176	176.4	-173.4	-0.6	113.8	K342	R340-K342 PolarHBondContact O-N 3.35Å; R340-K342 VanDerWaalsContact O-N 3.16Å
341	Y	80.2	Confident	76.1	Confident	227 Å²	227	50.6 Å²	50.6	89%	0.89	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.9	2.8	-179.5	-46.7	-81.8	0	0	0	116.3	F339	F339-Y341 VanDerWaalsContact C-N 3.3Å; F339-Y341 PolarHBondContact O-N 2.91Å
342	K	83.9	Confident	76.5	Confident	123 Å²	123	57.5 Å²	57.5	54%	0.535	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	146.8	170.8	-69.7	-173.3	165.9	-161.8	0	111	R338 F339 R340 E395	R338-K342 CarbonylContact C-O 3.57Å; R338-K342 VanDerWaalsContact CA-O 3.28Å; R338-K342 WeakPolarHBondContact CA-O 3.41Å; F339-K342 PolarHBondContact N-O 3.27Å; F339-K342 PolarHBondContact O-N 3.45Å; R340-K342 PolarHBondContact O-N 3.35Å; R340-K342 VanDerWaalsContact O-N 3.16Å; K342-E395 IonicContact NZ-OE1 3.74Å; K342-E395 PolarHBondContact NZ-OE1 3.32Å
343	E	85.8	Confident	77	Confident	106 Å²	106	59.6 Å²	59.6	50%	0.495	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	138.4	169.9	-75.8	-179.5	178.4	0	0	111	G337 R338 S396	G337-E343 WeakPolarHBondContact O-CA 3.27Å; R338-E343 HydrophobicContact CG-CG 4.29Å; E343-S396 WeakPolarHBondContact O-CB 3.42Å; E343-S396 PolarHBondContact O-N 3.46Å
344	V	89.5	Confident	77.4	Confident	3 Å²	3	59.4 Å²	59.4	2%	0.018	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	149.2	-180	-68.1	0	0	0	0	110.5	G337 F339 M346 V393 Y394	G337-V344 PolarHBondContact N-O 3.16Å; G337-V344 PolarHBondContact O-N 2.78Å; F339-V344 HydrophobicContact CB-CG1 3.79Å; F339-V344 HydrophobicContact CB-CG2 4.1Å; V344-M346 HydrophobicContact CG2-CG 4.38Å; V344-V393 HydrophobicContact CB-CG1 3.73Å; V344-V393 HydrophobicContact CG1-CG1 3.97Å; V344-V393 HydrophobicContact CG2-CG1 3.89Å; V344-Y394 CarbonylContact C-O 3.46Å; V344-Y394 WeakPolarHBondContact CA-O 3.4Å; V344-Y394 WeakPolarHBondContact CB-O 3.38Å
345	L	88.2	Confident	77.5	Confident	11 Å²	11	57.7 Å²	57.7	6%	0.058	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	139	168.2	-64.2	168.6	0	0	0	108.6	A334 A335 F347 V393 Y394 F448	A334-L345 HydrophobicContact CB-CD2 4.35Å; A335-L345 CarbonylContact O-C 3.53Å; L345-F347 HydrophobicContact CB-CE2 3.95Å; L345-F347 HydrophobicContact CB-CZ 4.48Å; L345-V393 CarbonylContact O-C 3.19Å; L345-V393 WeakPolarHBondContact O-CA 3.34Å; L345-Y394 PolarHBondContact N-O 3.35Å; L345-Y394 PolarHBondContact O-N 3.1Å; L345-F448 HydrophobicContact CD1-CD1 3.7Å; L345-F448 HydrophobicContact CD1-CD2 3.86Å; L345-F448 HydrophobicContact CD1-CE1 3.77Å; L345-F448 HydrophobicContact CD1-CE2 3.94Å; L345-F448 HydrophobicContact CD1-CG 3.76Å; L345-F448 HydrophobicContact CD1-CZ 3.89Å; L345-F448 HydrophobicContact CD2-CD1 4.31Å; L345-F448 HydrophobicContact CD2-CE1 3.76Å; L345-F448 HydrophobicContact CD2-CZ 4.13Å; L345-F448 HydrophobicContact CG-CE1 4.44Å
346	M	85.5	Confident	77.7	Confident	1 Å²	1	61.4 Å²	61.4	1%	0.005	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	129.6	-179.9	-54.1	-178.7	-50.7	0	0	109.9	I294 F296 A335 V344 Y391 H392 V393	I294-M346 HydrophobicContact CG2-SD 3.62Å; F296-M346 HydrophobicContact CD1-CE 3.21Å; F296-M346 HydrophobicContact CD1-SD 3.96Å; F296-M346 HydrophobicContact CE1-CE 3.43Å; F296-M346 VanDerWaalsContact CE1-CE 3.43Å; F296-M346 HydrophobicContact CE1-SD 3.64Å; F296-M346 HydrophobicContact CG-CE 4.06Å; F296-M346 HydrophobicContact CZ-CE 4.42Å; F296-M346 HydrophobicContact CZ-SD 4.13Å; A335-M346 HydrophobicContact CB-CB 4.44Å; A335-M346 HydrophobicContact CB-CE 3.93Å; A335-M346 PolarHBondContact N-O 3Å; A335-M346 PolarHBondContact O-N 2.73Å; V344-M346 HydrophobicContact CG2-CG 4.38Å; M346-Y391 HydrophobicContact CB-CD1 4.15Å; M346-H392 WeakPolarHBondContact CA-O 3.11Å; M346-V393 HydrophobicContact CG-CG1 4.45Å; M346-V393 HydrophobicContact CG-CG2 4.26Å
347	F	84.1	Confident	78.1	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	124.6	176.5	-59.7	-93	0	0	0	108.6	A334 L345 Y391 H392 Y394 F448 A458 N459	A334-F347 HydrophobicContact CB-CD1 4.2Å; A334-F347 HydrophobicContact CB-CE1 3.5Å; A334-F347 HydrophobicContact CB-CZ 3.68Å; L345-F347 HydrophobicContact CB-CE2 3.95Å; L345-F347 HydrophobicContact CB-CZ 4.48Å; F347-Y391 CarbonylContact O-C 3.41Å; F347-Y391 VanDerWaalsContact O-CA 3.28Å; F347-Y391 WeakPolarHBondContact O-CA 3.42Å; F347-H392 PolarHBondContact N-O 3.46Å; F347-H392 PolarHBondContact O-N 2.96Å; F347-Y394 AromaticContact CD2-CD2 3.6Å; F347-Y394 HydrophobicContact CD2-CD2 3.6Å; F347-Y394 AromaticContact CD2-CE2 3.78Å; F347-Y394 HydrophobicContact CD2-CE2 3.78Å; F347-Y394 AromaticContact CE2-CD2 3.77Å; F347-Y394 HydrophobicContact CE2-CD2 3.77Å; F347-Y394 HydrophobicContact CE2-CE2 4.19Å; F347-Y394 HydrophobicContact CE2-CG 4.42Å; F347-F448 HydrophobicContact CE1-CE2 4.49Å; F347-F448 AromaticContact CZ-CE2 3.83Å; F347-F448 HydrophobicContact CZ-CE2 3.83Å; F347-F448 HydrophobicContact CZ-CZ 4.23Å; F347-A458 HydrophobicContact CE2-CB 3.87Å; F347-A458 HydrophobicContact CZ-CB 3.8Å; F347-N459 VanDerWaalsContact CB-OD1 3.3Å; F347-N459 WeakPolarHBondContact CB-OD1 3.49Å; F347-N459 HydrophobicContact CD1-CB 3.69Å; F347-N459 VanDerWaalsContact CD1-CG 3.44Å; F347-N459 WeakPolarHBondContact CD1-ND2 3.41Å; F347-N459 HydrophobicContact CD2-CB 4.04Å; F347-N459 HydrophobicContact CE1-CB 3.76Å; F347-N459 HydrophobicContact CE2-CB 4.13Å; F347-N459 HydrophobicContact CG-CB 3.82Å; F347-N459 HydrophobicContact CZ-CB 4Å
348	G	78	Confident	78.4	Confident	1 Å²	1	65 Å²	65	1%	0.01	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	156.8	174	0	0	0	0	0	111.6	K330 F331 L390	K330-G348 WeakPolarHBondContact O-CA 3.42Å; K330-G348 PolarHBondContact O-N 3.34Å; F331-G348 WeakPolarHBondContact CA-O 3.17Å; F331-G348 WeakPolarHBondContact CD1-O 3.41Å; G348-L390 CarbonylContact C-O 3.52Å; G348-L390 WeakPolarHBondContact CA-O 3.32Å
349	S	75.8	Confident	78.4	Confident	3 Å²	3	65 Å²	65	2%	0.021	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	144.2	173.7	168	0	0	0	0	110	F331 C351 L390 H392 H462	F331-S349 VanDerWaalsContact CD1-C 3.4Å; F331-S349 WeakPolarHBondContact CE1-O 3.15Å; S349-C351 PolarHBondContact O-N 2.57Å; S349-C351 WeakPolarHBondContact OG-CB 3.45Å; S349-C351 PolarHBondContact OG-N 3.37Å; S349-C351 VanDerWaalsContact OG-N 3.11Å; S349-L390 PolarHBondContact N-O 2.84Å; S349-H392 WeakPolarHBondContact CB-NE2 3.24Å; S349-H462 VanDerWaalsContact CB-CD2 3.46Å; S349-H462 WeakPolarHBondContact CB-CD2 3.08Å; S349-H462 WeakPolarHBondContact CB-NE2 3.37Å; S349-H462 PolarHBondContact OG-CD2 3.46Å; S349-H462 PolarHBondContact OG-NE2 3.09Å
350	E	65.7	Low	78.3	Confident	53 Å²	53	68.8 Å²	68.8	25%	0.248	32%	0.319	C	S	.	.			trans	-77.3	3.5	174.5	-76.4	-167.5	159.5	0	0	113.1	F331 L352 H474	F331-E350 HydrophobicContact CD1-CG 3.87Å; F331-E350 HydrophobicContact CD2-CG 3.7Å; F331-E350 HydrophobicContact CE1-CB 4.11Å; F331-E350 HydrophobicContact CE1-CG 3.36Å; F331-E350 VanDerWaalsContact CE2-CD 3.46Å; F331-E350 HydrophobicContact CE2-CG 3.12Å; F331-E350 WeakPolarHBondContact CE2-OE1 3.39Å; F331-E350 HydrophobicContact CG-CG 4.07Å; F331-E350 HydrophobicContact CZ-CB 4.12Å; F331-E350 HydrophobicContact CZ-CG 2.97Å; E350-L352 PolarHBondContact O-N 3.45Å; E350-H474 WeakPolarHBondContact OE2-CB 3.29Å; E350-H474 IonicContact OE2-CD2 2.71Å; E350-H474 PolarHBondContact OE2-CD2 2.97Å; E350-H474 IonicContact OE2-CG 3.14Å; E350-H474 VanDerWaalsContact OE2-CG 3.23Å
351	C	64.9	Low	78.2	Confident	8 Å²	8	63.4 Å²	63.4	5%	0.054	30%	0.304	C	S	.	.			trans	-51.1	109.6	-179.5	-164.2	0	0	0	0	110	S349 N353 L390 E471	S349-C351 PolarHBondContact O-N 2.57Å; S349-C351 WeakPolarHBondContact OG-CB 3.45Å; S349-C351 PolarHBondContact OG-N 3.37Å; S349-C351 VanDerWaalsContact OG-N 3.11Å; C351-N353 VanDerWaalsContact C-N 3.28Å; C351-L390 HydrophobicContact CB-CD2 3.66Å; C351-E471 VanDerWaalsContact C-OE2 3.31Å; C351-E471 WeakPolarHBondContact CA-OE2 3.44Å; C351-E471 PolarHBondContact SG-OE2 3.19Å
352	L	60.8	Low	78.4	Confident	156 Å²	156	52.7 Å²	52.7	82%	0.817	26%	0.262	S	S	*	.			trans	-73.7	-28.6	-172.4	-72.8	161.8	0	0	0	109.9	E350 N354 E471	E350-L352 PolarHBondContact O-N 3.45Å; L352-N354 PolarHBondContact O-N 3.34Å; L352-E471 PolarHBondContact N-OE2 3.34Å
353	N	67.1	Low	78.5	Confident	59 Å²	59	47 Å²	47	32%	0.316	24%	0.238	S	C	.	.	S	Bend	trans	-70.2	122.9	175	-79.4	-19.6	0	0	0	111.5	C351 P355 F358 E469 E471	C351-N353 VanDerWaalsContact C-N 3.28Å; N353-P355 WeakPolarHBondContact O-CD 3.47Å; N353-F358 HydrophobicContact CB-CD1 4.04Å; N353-F358 HydrophobicContact CB-CE1 3.87Å; N353-F358 VanDerWaalsContact O-CE1 3.28Å; N353-F358 WeakPolarHBondContact O-CE1 3.39Å; N353-E469 PolarHBondContact ND2-OE2 2.93Å; N353-E469 VanDerWaalsContact ND2-OE2 3.09Å; N353-E471 WeakPolarHBondContact CB-OE1 3.36Å; N353-E471 PolarHBondContact N-OE1 3.17Å; N353-E471 PolarHBondContact ND2-OE1 2.75Å; N353-E471 PolarHBondContact OD1-OE1 3.42Å
354	N	72.4	Confident	78.5	Confident	63 Å²	63	46.2 Å²	46.2	34%	0.337	23%	0.233	S	C	.	.			trans	-57.8	128.5	167.1	-173.9	-38.2	0	0	0	108.9	L352 L356 N357 I385	L352-N354 PolarHBondContact O-N 3.34Å; N354-L356 PolarHBondContact O-N 2.99Å; N354-L356 VanDerWaalsContact OD1-CB 3.27Å; N354-L356 WeakPolarHBondContact OD1-CB 3.48Å; N354-L356 WeakPolarHBondContact OD1-CG 3.28Å; N354-L356 PolarHBondContact OD1-N 3.06Å; N354-N357 WeakPolarHBondContact O-CA 3.23Å; N354-N357 WeakPolarHBondContact O-CB 3.38Å; N354-N357 PolarHBondContact O-N 3.47Å; N354-I385 HydrophobicContact CB-CD1 4.48Å; N354-I385 VanDerWaalsContact OD1-CD1 3.23Å; N354-I385 WeakPolarHBondContact OD1-CD1 3.33Å
355	P	73.5	Confident	78.3	Confident	1 Å²	1	48.4 Å²	48.4	1%	0.006	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-55.6	-21.4	177.4	17.2	-33.2	0	0	0	114.5	K285 W287 I288 N353 N357 F358 L383 I385 L390	K285-P355 PolarHBondContact NZ-O 3.13Å; W287-P355 HydrophobicContact CH2-CB 4.39Å; W287-P355 HydrophobicContact CZ3-CB 4.07Å; I288-P355 HydrophobicContact CD1-CB 3.9Å; I288-P355 HydrophobicContact CD1-CG 4.46Å; I288-P355 HydrophobicContact CG1-CB 4.24Å; N353-P355 WeakPolarHBondContact O-CD 3.47Å; P355-N357 PolarHBondContact O-N 3.29Å; P355-F358 HydrophobicContact CB-CD2 3.96Å; P355-F358 HydrophobicContact CB-CE1 4.44Å; P355-F358 HydrophobicContact CB-CE2 3.65Å; P355-F358 HydrophobicContact CB-CG 4.48Å; P355-F358 HydrophobicContact CB-CZ 3.91Å; P355-F358 PolarHBondContact O-N 3.48Å; P355-L383 HydrophobicContact CB-CD1 4.36Å; P355-I385 VanDerWaalsContact CD-CD1 3.43Å; P355-I385 HydrophobicContact CG-CD1 3.61Å; P355-I385 HydrophobicContact CG-CG1 3.66Å; P355-L390 HydrophobicContact CB-CD1 4.4Å; P355-L390 HydrophobicContact CG-CD1 3.66Å
356	L	75.1	Confident	78.3	Confident	103 Å²	103	47.9 Å²	47.9	54%	0.539	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-64.2	-18.6	169.3	-66.7	170.2	0	0	0	113.4	K285 I288 N354	K285-L356 PolarHBondContact NZ-O 2.96Å; I288-L356 HydrophobicContact CD1-CD2 3.76Å; I288-L356 HydrophobicContact CD1-CG 4.19Å; N354-L356 PolarHBondContact O-N 2.99Å; N354-L356 VanDerWaalsContact OD1-CB 3.27Å; N354-L356 WeakPolarHBondContact OD1-CB 3.48Å; N354-L356 WeakPolarHBondContact OD1-CG 3.28Å; N354-L356 PolarHBondContact OD1-N 3.06Å
357	N	81.9	Confident	78.2	Confident	122 Å²	122	49.4 Å²	49.4	65%	0.652	24%	0.244	S	C	*	.	G	3₁₀ helix	trans	-110.8	-0.7	-178.7	-63.1	-20.1	0	0	0	114.2	N354 P355	N354-N357 WeakPolarHBondContact O-CA 3.23Å; N354-N357 WeakPolarHBondContact O-CB 3.38Å; N354-N357 PolarHBondContact O-N 3.47Å; P355-N357 PolarHBondContact O-N 3.29Å
358	F	83.1	Confident	78.2	Confident	10 Å²	10	52.9 Å²	52.9	4%	0.044	27%	0.266	C	S	.	.			trans	-52.6	145.2	177.6	-73.6	-11.4	0	0	0	113.3	W287 N353 P355 T362 L366 L383 L390 I465 E469	W287-F358 AromaticContact CH2-CD2 3.97Å; W287-F358 HydrophobicContact CH2-CD2 3.97Å; W287-F358 HydrophobicContact CZ3-CD2 4.45Å; N353-F358 HydrophobicContact CB-CD1 4.04Å; N353-F358 HydrophobicContact CB-CE1 3.87Å; N353-F358 VanDerWaalsContact O-CE1 3.28Å; N353-F358 WeakPolarHBondContact O-CE1 3.39Å; P355-F358 HydrophobicContact CB-CD2 3.96Å; P355-F358 HydrophobicContact CB-CE1 4.44Å; P355-F358 HydrophobicContact CB-CE2 3.65Å; P355-F358 HydrophobicContact CB-CG 4.48Å; P355-F358 HydrophobicContact CB-CZ 3.91Å; P355-F358 PolarHBondContact O-N 3.48Å; F358-T362 HydrophobicContact CB-CG2 4.39Å; F358-T362 HydrophobicContact CD2-CG2 4.15Å; F358-T362 HydrophobicContact CG-CG2 4.33Å; F358-L366 HydrophobicContact CD2-CD1 3.93Å; F358-L366 HydrophobicContact CE2-CD1 4.11Å; F358-L383 HydrophobicContact CE2-CD1 3.73Å; F358-L383 HydrophobicContact CZ-CD1 4.48Å; F358-L390 HydrophobicContact CZ-CD2 3.9Å; F358-I465 HydrophobicContact CE1-CG2 4.32Å; F358-I465 HydrophobicContact CE2-CD1 4.27Å; F358-I465 HydrophobicContact CE2-CG2 3.85Å; F358-I465 HydrophobicContact CZ-CG2 3.68Å; F358-E469 HydrophobicContact CD1-CG 3.92Å; F358-E469 HydrophobicContact CE1-CG 4.11Å; F358-E469 HydrophobicContact CG-CG 4.5Å
359	Q	82.6	Confident	78.7	Confident	113 Å²	113	53.3 Å²	53.3	53%	0.528	27%	0.268	S	S	.	.			trans	-60.7	154.6	179	-62.2	-170.2	1.6	0	0	111.3	D361 T362 C363 E469	Q359-D361 VanDerWaalsContact C-N 3.25Å; Q359-D361 PolarHBondContact O-N 2.94Å; Q359-T362 PolarHBondContact O-N 3.14Å; Q359-C363 PolarHBondContact O-N 3.2Å; Q359-C363 PolarHBondContact O-SG 3.38Å; Q359-C363 VanDerWaalsContact O-SG 3.34Å; Q359-E469 PolarHBondContact N-OE1 2.87Å
360	F	82.3	Confident	79.3	Confident	100 Å²	100	55.1 Å²	55.1	44%	0.439	28%	0.277	S	S	.	.	H	α-helix	trans	-60.1	-37	-179.4	179.3	-99.5	0	0	0	112.2	I279 Y282 C363 K364	I279-F360 HydrophobicContact CG1-CZ 4.47Å; I279-F360 HydrophobicContact CG2-CE2 4.32Å; Y282-F360 HydrophobicContact CD2-CE2 4.28Å; Y282-F360 AromaticContact CD2-CZ 3.97Å; Y282-F360 HydrophobicContact CD2-CZ 3.97Å; F360-C363 PolarHBondContact O-N 2.93Å; F360-K364 WeakPolarHBondContact O-CB 3.21Å; F360-K364 PolarHBondContact O-N 2.94Å
361	D	82.2	Confident	80.2	Confident	69 Å²	69	59.9 Å²	59.9	37%	0.369	29%	0.293	S	S	.	.	H	α-helix	trans	-65.6	-44	177.8	-163.8	56.5	0	0	0	111.4	Q359 C363 K364 R365	Q359-D361 VanDerWaalsContact C-N 3.25Å; Q359-D361 PolarHBondContact O-N 2.94Å; D361-C363 PolarHBondContact O-N 3.48Å; D361-K364 PolarHBondContact O-N 2.9Å; D361-R365 WeakPolarHBondContact O-CB 3.43Å; D361-R365 WeakPolarHBondContact O-CG 3.32Å; D361-R365 PolarHBondContact O-N 3.23Å
362	T	84.6	Confident	81.1	Confident	1 Å²	1	61.2 Å²	61.2	1%	0.006	30%	0.3	C	S	.	.	H	α-helix	trans	-59.4	-45.9	173.2	-47.7	0	0	0	0	111.6	F358 Q359 K364 R365 L366 I465 K468 E469	F358-T362 HydrophobicContact CB-CG2 4.39Å; F358-T362 HydrophobicContact CD2-CG2 4.15Å; F358-T362 HydrophobicContact CG-CG2 4.33Å; Q359-T362 PolarHBondContact O-N 3.14Å; T362-K364 PolarHBondContact O-N 2.97Å; T362-R365 PolarHBondContact O-N 3.01Å; T362-L366 HydrophobicContact CG2-CD1 4.13Å; T362-L366 WeakPolarHBondContact O-CB 3.16Å; T362-L366 PolarHBondContact O-N 3.31Å; T362-I465 HydrophobicContact CG2-CG2 4.26Å; T362-K468 WeakPolarHBondContact OG1-CB 3.39Å; T362-E469 WeakPolarHBondContact CB-OE1 3.28Å; T362-E469 HydrophobicContact CG2-CG 4.16Å; T362-E469 WeakPolarHBondContact CG2-OE1 3.47Å; T362-E469 PolarHBondContact OG1-OE1 3.31Å
363	C	85.5	Confident	82.4	Confident	5 Å²	5	58 Å²	58	3%	0.034	30%	0.295	C	S	.	.	H	α-helix	trans	-62.1	-40.5	176.7	-66.8	0	0	0	0	112.4	W287 Q359 F360 D361 F367	W287-C363 HydrophobicContact CZ2-CB 4.34Å; Q359-C363 PolarHBondContact O-N 3.2Å; Q359-C363 PolarHBondContact O-SG 3.38Å; Q359-C363 VanDerWaalsContact O-SG 3.34Å; F360-C363 PolarHBondContact O-N 2.93Å; D361-C363 PolarHBondContact O-N 3.48Å; C363-F367 WeakPolarHBondContact O-CB 3.39Å; C363-F367 PolarHBondContact O-N 3.24Å
364	K	85	Confident	83.6	Confident	89 Å²	89	56.1 Å²	56.1	39%	0.387	29%	0.287	S	S	.	.	H	α-helix	trans	-65.4	-44.9	176.6	177	-172.7	172.9	-161.3	0	111.1	Y282 F360 D361 T362 F367 T368	Y282-K364 HydrophobicContact CD2-CB 4.28Å; Y282-K364 HydrophobicContact CD2-CG 4.23Å; Y282-K364 HydrophobicContact CE2-CB 4.34Å; Y282-K364 HydrophobicContact CE2-CD 4.35Å; Y282-K364 HydrophobicContact CE2-CG 3.78Å; F360-K364 WeakPolarHBondContact O-CB 3.21Å; F360-K364 PolarHBondContact O-N 2.94Å; D361-K364 PolarHBondContact O-N 2.9Å; T362-K364 PolarHBondContact O-N 2.97Å; K364-F367 PolarHBondContact O-N 2.97Å; K364-T368 PolarHBondContact O-N 3.15Å; K364-T368 VanDerWaalsContact O-N 3.14Å; K364-T368 PolarHBondContact O-OG1 2.99Å
365	R	86.1	Confident	84.7	Confident	48 Å²	48	57.4 Å²	57.4	18%	0.181	30%	0.298	C	S	.	.	H	α-helix	trans	-59	-53.2	174.6	-85.8	-170.3	96.7	-170	12	110.7	D361 T362 F367 T368 V369 G436 F464 E467	D361-R365 WeakPolarHBondContact O-CB 3.43Å; D361-R365 WeakPolarHBondContact O-CG 3.32Å; D361-R365 PolarHBondContact O-N 3.23Å; T362-R365 PolarHBondContact O-N 3.01Å; R365-F367 PolarHBondContact O-N 3.22Å; R365-T368 WeakPolarHBondContact O-CB 3.4Å; R365-T368 PolarHBondContact O-N 3.26Å; R365-V369 PolarHBondContact O-N 3.2Å; R365-G436 PolarHBondContact NH2-O 3.17Å; R365-F464 HydrophobicContact CB-CE1 3.89Å; R365-F464 HydrophobicContact CB-CZ 3.57Å; R365-F464 HydrophobicContact CG-CZ 4.13Å; R365-F464 VanDerWaalsContact NE-CE2 3.31Å; R365-F464 VanDerWaalsContact NH2-CE2 3.3Å; R365-E467 IonicContact CZ-OE2 3.2Å; R365-E467 IonicContact NH1-OE2 2.86Å; R365-E467 PolarHBondContact NH1-OE2 3.36Å; R365-E467 IonicContact NH2-OE2 3.35Å; R365-E467 PolarHBondContact NH2-OE2 3.38Å
366	L	87.6	Confident	85.7	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-54	-48.7	176.4	-84.9	166.3	0	0	0	112.2	W287 F358 T362 T368 V369 L370 L380 L383 I465	W287-L366 HydrophobicContact CH2-CD1 3.89Å; W287-L366 HydrophobicContact CZ2-CD1 4.27Å; W287-L366 HydrophobicContact CZ3-CD1 4.03Å; F358-L366 HydrophobicContact CD2-CD1 3.93Å; F358-L366 HydrophobicContact CE2-CD1 4.11Å; T362-L366 HydrophobicContact CG2-CD1 4.13Å; T362-L366 WeakPolarHBondContact O-CB 3.16Å; T362-L366 PolarHBondContact O-N 3.31Å; L366-T368 PolarHBondContact O-N 2.99Å; L366-V369 HydrophobicContact CD2-CG2 4.46Å; L366-V369 WeakPolarHBondContact O-CG2 3.47Å; L366-V369 PolarHBondContact O-N 3.36Å; L366-L370 WeakPolarHBondContact O-CB 3.36Å; L366-L370 WeakPolarHBondContact O-CD1 3.31Å; L366-L370 WeakPolarHBondContact O-CG 3.28Å; L366-L370 PolarHBondContact O-N 2.91Å; L366-L380 HydrophobicContact CD2-CD2 4.25Å; L366-L383 HydrophobicContact CD1-CD1 4.22Å; L366-I465 HydrophobicContact CD1-CD1 4.08Å; L366-I465 HydrophobicContact CD1-CG1 4.33Å; L366-I465 HydrophobicContact CD2-CD1 3.78Å; L366-I465 HydrophobicContact CD2-CG1 4.01Å; L366-I465 HydrophobicContact CG-CD1 4.38Å; L366-I465 HydrophobicContact CG-CG1 4.36Å
367	F	84.2	Confident	86.7	Confident	33 Å²	33	53.2 Å²	53.2	15%	0.145	28%	0.276	C	S	.	.	H	α-helix	trans	-61.4	-31.8	179	-174.2	-87	0	0	0	113	A281 Y282 C363 K364 R365 R371	A281-F367 HydrophobicContact CB-CE1 4.41Å; A281-F367 HydrophobicContact CB-CE2 3.56Å; A281-F367 HydrophobicContact CB-CZ 3.37Å; Y282-F367 HydrophobicContact CD1-CB 3.69Å; Y282-F367 AromaticContact CD1-CD1 3.35Å; Y282-F367 HydrophobicContact CD1-CD1 3.35Å; Y282-F367 AromaticContact CD1-CD2 3.93Å; Y282-F367 HydrophobicContact CD1-CD2 3.93Å; Y282-F367 AromaticContact CD1-CE1 3.74Å; Y282-F367 HydrophobicContact CD1-CE1 3.74Å; Y282-F367 HydrophobicContact CD1-CE2 4.31Å; Y282-F367 AromaticContact CD1-CG 3.4Å; Y282-F367 HydrophobicContact CD1-CG 3.4Å; Y282-F367 VanDerWaalsContact CD1-CG 3.4Å; Y282-F367 HydrophobicContact CD1-CZ 4.18Å; Y282-F367 HydrophobicContact CE1-CB 4.07Å; Y282-F367 AromaticContact CE1-CD1 3.14Å; Y282-F367 HydrophobicContact CE1-CD1 3.14Å; Y282-F367 AromaticContact CE1-CE1 3.47Å; Y282-F367 HydrophobicContact CE1-CE1 3.47Å; Y282-F367 VanDerWaalsContact CE1-CE1 3.47Å; Y282-F367 AromaticContact CE1-CG 3.71Å; Y282-F367 HydrophobicContact CE1-CG 3.71Å; Y282-F367 HydrophobicContact CE1-CZ 4.31Å; C363-F367 WeakPolarHBondContact O-CB 3.39Å; C363-F367 PolarHBondContact O-N 3.24Å; K364-F367 PolarHBondContact O-N 2.97Å; R365-F367 PolarHBondContact O-N 3.22Å; F367-R371 VanDerWaalsContact CE2-NH1 3.33Å; F367-R371 VanDerWaalsContact CE2-NH2 3.25Å; F367-R371 PolarHBondContact O-NH1 3.48Å
368	T	84.5	Confident	87.2	Confident	74 Å²	74	47.4 Å²	47.4	45%	0.454	25%	0.245	S	C	.	.	H	α-helix	trans	-73.1	-47.5	176.1	-51.9	0	0	0	0	110.4	K364 R365 L366 L370 R371	K364-T368 PolarHBondContact O-N 3.15Å; K364-T368 VanDerWaalsContact O-N 3.14Å; K364-T368 PolarHBondContact O-OG1 2.99Å; R365-T368 WeakPolarHBondContact O-CB 3.4Å; R365-T368 PolarHBondContact O-N 3.26Å; L366-T368 PolarHBondContact O-N 2.99Å; T368-L370 PolarHBondContact O-N 2.98Å; T368-R371 PolarHBondContact O-N 2.93Å
369	V	87.3	Confident	87.7	Confident	10 Å²	10	49.3 Å²	49.3	6%	0.061	26%	0.259	C	S	.	.	H	α-helix	trans	-72.5	-28.1	-175.7	-56.9	0	0	0	0	113.9	R365 L366 R371 L372 I437 W460 F464	R365-V369 PolarHBondContact O-N 3.2Å; L366-V369 HydrophobicContact CD2-CG2 4.46Å; L366-V369 WeakPolarHBondContact O-CG2 3.47Å; L366-V369 PolarHBondContact O-N 3.36Å; V369-R371 PolarHBondContact O-N 3.18Å; V369-R371 VanDerWaalsContact O-N 3.08Å; V369-L372 HydrophobicContact CB-CD1 3.95Å; V369-L372 HydrophobicContact CG1-CD1 3.89Å; V369-L372 WeakPolarHBondContact O-CB 3.43Å; V369-L372 PolarHBondContact O-N 2.87Å; V369-I437 HydrophobicContact CB-CD1 4.38Å; V369-I437 HydrophobicContact CG1-CD1 3.7Å; V369-W460 HydrophobicContact CB-CH2 3.65Å; V369-W460 HydrophobicContact CB-CZ3 3.87Å; V369-W460 HydrophobicContact CG1-CZ3 4.45Å; V369-W460 HydrophobicContact CG2-CH2 3.68Å; V369-W460 HydrophobicContact CG2-CZ3 3.82Å; V369-F464 HydrophobicContact CB-CZ 4.39Å; V369-F464 HydrophobicContact CG1-CE1 4.02Å; V369-F464 HydrophobicContact CG1-CE2 3.97Å; V369-F464 HydrophobicContact CG1-CZ 3.43Å; V369-F464 VanDerWaalsContact CG1-CZ 3.43Å; V369-F464 HydrophobicContact CG2-CD1 4.49Å; V369-F464 HydrophobicContact CG2-CE1 3.77Å; V369-F464 HydrophobicContact CG2-CZ 4.07Å
370	L	88.5	Confident	88.2	Confident	40 Å²	40	44.3 Å²	44.3	21%	0.209	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-12.2	171.7	-74.2	164.4	0	0	0	113.7	W287 L366 T368 L380	W287-L370 HydrophobicContact CB-CD1 3.3Å; W287-L370 HydrophobicContact CD2-CD1 4.41Å; W287-L370 HydrophobicContact CG-CD1 3.59Å; L366-L370 WeakPolarHBondContact O-CB 3.36Å; L366-L370 WeakPolarHBondContact O-CD1 3.31Å; L366-L370 WeakPolarHBondContact O-CG 3.28Å; L366-L370 PolarHBondContact O-N 2.91Å; T368-L370 PolarHBondContact O-N 2.98Å; L370-L380 HydrophobicContact CD2-CB 3.98Å; L370-L380 HydrophobicContact CD2-CD2 3.67Å; L370-L380 HydrophobicContact CD2-CG 3.63Å; L370-L380 WeakPolarHBondContact CD2-O 3.33Å; L370-L380 HydrophobicContact CG-CD2 4.3Å
371	R	85.8	Confident	88.6	Confident	154 Å²	154	41.9 Å²	41.9	58%	0.581	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.7	-0.3	175.4	-69.2	179.4	176.6	73.5	2.1	113.2	F367 T368 V369 A373	F367-R371 VanDerWaalsContact CE2-NH1 3.33Å; F367-R371 VanDerWaalsContact CE2-NH2 3.25Å; F367-R371 PolarHBondContact O-NH1 3.48Å; T368-R371 PolarHBondContact O-N 2.93Å; V369-R371 PolarHBondContact O-N 3.18Å; V369-R371 VanDerWaalsContact O-N 3.08Å; R371-A373 PolarHBondContact O-N 2.78Å
372	L	82.9	Confident	89	Confident	36 Å²	36	38.6 Å²	38.6	19%	0.188	21%	0.211	C	C	.	.			trans	-71.2	125.4	174	-67.1	175.7	0	0	0	108.5	V369 F431 H435 I437	V369-L372 HydrophobicContact CB-CD1 3.95Å; V369-L372 HydrophobicContact CG1-CD1 3.89Å; V369-L372 WeakPolarHBondContact O-CB 3.43Å; V369-L372 PolarHBondContact O-N 2.87Å; L372-F431 HydrophobicContact CB-CE1 3.97Å; L372-F431 HydrophobicContact CB-CZ 4.03Å; L372-F431 HydrophobicContact CD1-CE1 4.35Å; L372-F431 HydrophobicContact CD2-CE1 4.48Å; L372-F431 HydrophobicContact CD2-CZ 4.11Å; L372-F431 HydrophobicContact CG-CE1 4.49Å; L372-H435 HydrophobicContact CD1-CB 4.13Å; L372-H435 WeakPolarHBondContact CD2-CD2 3.35Å; L372-H435 VanDerWaalsContact CD2-NE2 3.35Å; L372-H435 WeakPolarHBondContact CD2-NE2 3.35Å; L372-I437 HydrophobicContact CD1-CD1 3.92Å
373	A	87.5	Confident	89.2	Confident	87 Å²	87	38.6 Å²	38.6	72%	0.719	21%	0.211	S	C	*	.			trans	-122.7	123.3	174.6	0	0	0	0	0	107.8	R371	R371-A373 PolarHBondContact O-N 2.78Å
374	S	93.7	Very high	89.3	Confident	20 Å²	20	38.3 Å²	38.3	14%	0.14	21%	0.21	C	C	.	.			trans	-137.6	143.8	172.5	169.6	0	0	0	0	108	N376 I377	S374-N376 PolarHBondContact O-N 2.75Å; S374-N376 PolarHBondContact OG-N 2.91Å; S374-I377 PolarHBondContact O-N 2.9Å
375	P	94	Very high	89	Confident	90 Å²	90	36.6 Å²	36.6	58%	0.584	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-27.6	174.4	22.9	-32.7	0	0	0	112.6	K456	P375-K456 WeakPolarHBondContact O-CD 3.31Å; P375-K456 WeakPolarHBondContact O-CE 3.49Å; P375-K456 WeakPolarHBondContact O-CG 3.49Å
376	N	96.3	Very high	88.5	Confident	8 Å²	8	36.4 Å²	36.4	4%	0.043	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.4	12.4	-174.4	-56.3	107.1	0	0	0	114.5	S374 D424 N427 T454 A455 K456 I457	S374-N376 PolarHBondContact O-N 2.75Å; S374-N376 PolarHBondContact OG-N 2.91Å; N376-D424 WeakPolarHBondContact CB-O 3.35Å; N376-D424 VanDerWaalsContact CG-O 3.22Å; N376-D424 VanDerWaalsContact ND2-CA 3.32Å; N376-D424 WeakPolarHBondContact ND2-CA 3.44Å; N376-D424 WeakPolarHBondContact ND2-CB 3.36Å; N376-D424 PolarHBondContact ND2-O 3.01Å; N376-D424 PolarHBondContact ND2-OD1 2.95Å; N376-N427 HydrophobicContact CB-CB 4.43Å; N376-N427 WeakPolarHBondContact OD1-CB 3.01Å; N376-T454 WeakPolarHBondContact ND2-CG2 3.44Å; N376-A455 WeakPolarHBondContact CA-O 3.4Å; N376-A455 PolarHBondContact ND2-O 2.73Å; N376-K456 WeakPolarHBondContact O-CA 3.47Å; N376-I457 PolarHBondContact O-N 3.39Å
377	I	95.4	Very high	87.9	Confident	8 Å²	8	42.3 Å²	42.3	4%	0.041	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	-123.6	132.6	175.3	-59.2	-60.9	0	0	0	109.4	S374 P379 F431 L432 I457	S374-I377 PolarHBondContact O-N 2.9Å; I377-P379 WeakPolarHBondContact O-CD 3.13Å; I377-F431 HydrophobicContact CG1-CD1 3.77Å; I377-F431 HydrophobicContact CG1-CE1 4.37Å; I377-F431 HydrophobicContact CG1-CG 4.46Å; I377-L432 HydrophobicContact CD1-CD1 3.87Å; I377-L432 HydrophobicContact CD1-CD2 3.94Å; I377-L432 HydrophobicContact CD1-CG 3.66Å; I377-L432 HydrophobicContact CG1-CD2 4.39Å; I377-L432 HydrophobicContact CG1-CG 4.46Å; I377-I457 HydrophobicContact CD1-CB 3.83Å; I377-I457 HydrophobicContact CD1-CD1 4.24Å; I377-I457 HydrophobicContact CD1-CG1 4.35Å
378	A	92.8	Very high	87.4	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-68.5	124.8	171.5	0	0	0	0	0	109.3	L380 Y394 I457 A458 W460	A378-L380 PolarHBondContact O-N 3.04Å; A378-Y394 HydrophobicContact CB-CD1 3.91Å; A378-Y394 WeakPolarHBondContact O-CD1 3.5Å; A378-I457 PolarHBondContact N-O 3.39Å; A378-A458 HydrophobicContact CB-CB 3.88Å; A378-W460 PolarHBondContact O-NE1 2.66Å
379	P	92.8	Very high	86.9	Confident	50 Å²	50	46 Å²	46	33%	0.325	25%	0.254	S	S	.	.	P	Polyproline II helix	trans	-63.9	127	179	-22.4	33.3	0	0	0	111.5	I377 V381 Y394 E395	I377-P379 WeakPolarHBondContact O-CD 3.13Å; P379-V381 PolarHBondContact O-N 3.37Å; P379-Y394 VanDerWaalsContact O-CA 3.31Å; P379-Y394 WeakPolarHBondContact O-CA 3.46Å; P379-E395 PolarHBondContact O-N 3.19Å
380	L	92.9	Very high	86.6	Confident	9 Å²	9	45.8 Å²	45.8	5%	0.047	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	122	169.9	-176.8	72.1	0	0	0	108.5	L366 L370 A378 H392 V393 Y394 W460	L366-L380 HydrophobicContact CD2-CD2 4.25Å; L370-L380 HydrophobicContact CD2-CB 3.98Å; L370-L380 HydrophobicContact CD2-CD2 3.67Å; L370-L380 HydrophobicContact CD2-CG 3.63Å; L370-L380 WeakPolarHBondContact CD2-O 3.33Å; L370-L380 HydrophobicContact CG-CD2 4.3Å; A378-L380 PolarHBondContact O-N 3.04Å; L380-H392 HydrophobicContact CD1-CB 4.31Å; L380-V393 WeakPolarHBondContact CD1-O 3.41Å; L380-Y394 HydrophobicContact CB-CD1 4.32Å; L380-Y394 HydrophobicContact CB-CE1 4.05Å; L380-Y394 HydrophobicContact CD1-CD1 4.32Å; L380-Y394 HydrophobicContact CD1-CD2 4.12Å; L380-Y394 HydrophobicContact CD1-CE1 3.96Å; L380-Y394 HydrophobicContact CD1-CE2 3.74Å; L380-Y394 HydrophobicContact CD1-CG 4.4Å; L380-W460 HydrophobicContact CB-CH2 4.14Å; L380-W460 HydrophobicContact CB-CZ2 3.8Å; L380-W460 HydrophobicContact CD2-CH2 4.17Å
381	V	91.5	Very high	86.5	Confident	48 Å²	48	45.3 Å²	45.3	29%	0.291	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	-41.5	178.6	-179.4	0	0	0	0	110.4	L289 F339 P379 V393 E395	L289-V381 HydrophobicContact CD1-CG1 4.16Å; F339-V381 HydrophobicContact CD1-CG1 3.92Å; F339-V381 HydrophobicContact CE1-CG1 3.83Å; P379-V381 PolarHBondContact O-N 3.37Å; V381-V393 WeakPolarHBondContact CA-O 3.5Å; V381-V393 HydrophobicContact CB-CG1 4.32Å; V381-V393 WeakPolarHBondContact CB-O 3.47Å; V381-V393 PolarHBondContact N-O 3.3Å; V381-E395 HydrophobicContact CG2-CB 4.35Å
382	G	90.4	Very high	86.6	Confident	0 Å²	0	38 Å²	38	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	167.1	-167.7	-175.9	0	0	0	0	0	112.9	W287 V393	W287-G382 CarbonylContact O-C 3.52Å; W287-G382 WeakPolarHBondContact O-CA 3.45Å; G382-V393 PolarHBondContact N-O 3.26Å; G382-V393 PolarHBondContact O-N 3.13Å
383	L	89.5	Confident	86.9	Confident	1 Å²	1	36.3 Å²	36.3	1%	0.005	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	141.7	177.8	-55	-179	0	0	0	109.9	W287 I288 L289 P355 F358 L366 L390 Y391 H392 I465	W287-L383 HydrophobicContact CE3-CD1 4.19Å; W287-L383 HydrophobicContact CE3-CG 4.26Å; W287-L383 HydrophobicContact CZ3-CD1 3.73Å; W287-L383 HydrophobicContact CZ3-CG 4.28Å; W287-L383 PolarHBondContact O-N 2.68Å; I288-L383 CarbonylContact C-O 3.44Å; I288-L383 WeakPolarHBondContact CA-O 3.38Å; L289-L383 PolarHBondContact N-O 3.08Å; P355-L383 HydrophobicContact CB-CD1 4.36Å; F358-L383 HydrophobicContact CE2-CD1 3.73Å; F358-L383 HydrophobicContact CZ-CD1 4.48Å; L366-L383 HydrophobicContact CD1-CD1 4.22Å; L383-L390 HydrophobicContact CB-CD1 3.95Å; L383-L390 HydrophobicContact CD1-CD1 4.32Å; L383-L390 HydrophobicContact CD1-CD2 4.47Å; L383-Y391 CarbonylContact C-O 3.59Å; L383-Y391 VanDerWaalsContact CA-O 3.32Å; L383-Y391 WeakPolarHBondContact CA-O 3.38Å; L383-H392 HydrophobicContact CD2-CB 4.15Å; L383-H392 VanDerWaalsContact CD2-ND1 3.35Å; L383-H392 WeakPolarHBondContact CD2-ND1 3.19Å; L383-I465 HydrophobicContact CD1-CD1 3.61Å; L383-I465 HydrophobicContact CD2-CD1 4.09Å; L383-I465 HydrophobicContact CG-CD1 4.49Å
384	V	85.8	Confident	87.1	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	142	173.8	65.8	0	0	0	0	109.7	L289 E291 I294 F296 Y391 V393	L289-V384 HydrophobicContact CB-CB 4.25Å; E291-V384 HydrophobicContact CB-CG2 4.15Å; I294-V384 HydrophobicContact CD1-CB 3.84Å; I294-V384 HydrophobicContact CD1-CG1 3.71Å; I294-V384 HydrophobicContact CD1-CG2 4.09Å; F296-V384 HydrophobicContact CZ-CG1 4.13Å; V384-Y391 HydrophobicContact CG1-CG 4.44Å; V384-Y391 PolarHBondContact N-O 3.21Å; V384-Y391 PolarHBondContact O-N 3.42Å; V384-V393 HydrophobicContact CB-CG2 4.41Å; V384-V393 HydrophobicContact CG1-CG2 3.74Å
385	I	80.5	Confident	87	Confident	53 Å²	53	34.7 Å²	34.7	27%	0.272	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	130.1	172.1	-51.9	170.7	0	0	0	107.5	N354 P355 T389 L390	N354-I385 HydrophobicContact CB-CD1 4.48Å; N354-I385 VanDerWaalsContact OD1-CD1 3.23Å; N354-I385 WeakPolarHBondContact OD1-CD1 3.33Å; P355-I385 VanDerWaalsContact CD-CD1 3.43Å; P355-I385 HydrophobicContact CG-CD1 3.61Å; P355-I385 HydrophobicContact CG-CG1 3.66Å; I385-T389 WeakPolarHBondContact CA-O 3.16Å; I385-L390 HydrophobicContact CG1-CD1 4.22Å
386	K	75.8	Confident	86.8	Confident	43 Å²	43	32 Å²	32	19%	0.187	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	130	170.4	172.2	167.4	-170.4	-177	0	109.4	E291 F296 L388 T389 Y391	E291-K386 HydrophobicContact CG-CB 4.19Å; E291-K386 HydrophobicContact CG-CD 4.23Å; E291-K386 HydrophobicContact CG-CG 4.37Å; E291-K386 WeakPolarHBondContact OE1-CD 3.34Å; E291-K386 VanDerWaalsContact OE1-CE 3.23Å; E291-K386 WeakPolarHBondContact OE1-CE 3.34Å; E291-K386 WeakPolarHBondContact OE1-CG 3.38Å; F296-K386 HydrophobicContact CD1-CD 3.84Å; F296-K386 HydrophobicContact CD2-CD 3.73Å; F296-K386 VanDerWaalsContact CD2-NZ 3.3Å; F296-K386 HydrophobicContact CE1-CB 4.39Å; F296-K386 HydrophobicContact CE1-CD 3.61Å; F296-K386 HydrophobicContact CE2-CD 3.49Å; F296-K386 VanDerWaalsContact CE2-CD 3.49Å; F296-K386 HydrophobicContact CG-CD 3.93Å; F296-K386 HydrophobicContact CZ-CB 3.97Å; F296-K386 HydrophobicContact CZ-CD 3.44Å; F296-K386 VanDerWaalsContact CZ-CD 3.44Å; F296-K386 HydrophobicContact CZ-CG 4.35Å; K386-L388 VanDerWaalsContact C-N 3.29Å; K386-L388 PolarHBondContact O-N 2.85Å; K386-T389 PolarHBondContact N-O 3.06Å; K386-T389 WeakPolarHBondContact O-CB 3.49Å; K386-T389 PolarHBondContact O-N 3.09Å; K386-Y391 HydrophobicContact CB-CD2 4.16Å; K386-Y391 HydrophobicContact CB-CE2 3.94Å
387	N	73.8	Confident	86.2	Confident	125 Å²	125	32.6 Å²	32.6	67%	0.668	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.1	46.6	177.8	-63.5	-27.1	0	0	0	113.8	T389	N387-T389 PolarHBondContact O-N 3.29Å; N387-T389 VanDerWaalsContact O-N 3.17Å
388	L	73.2	Confident	85.3	Confident	175 Å²	175	34.7 Å²	34.7	92%	0.916	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.9	12	-177.4	-53.3	173.5	0	0	0	115.2	K386	K386-L388 VanDerWaalsContact C-N 3.29Å; K386-L388 PolarHBondContact O-N 2.85Å
389	T	74.7	Confident	84.4	Confident	9 Å²	9	40.2 Å²	40.2	6%	0.055	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	129.8	173	-56.2	0	0	0	0	109.3	K330 F331 I385 K386 N387 Y391	K330-T389 HydrophobicContact CB-CG2 4.38Å; K330-T389 HydrophobicContact CD-CG2 3.99Å; K330-T389 WeakPolarHBondContact CD-OG1 3.2Å; K330-T389 PolarHBondContact NZ-OG1 2.83Å; F331-T389 HydrophobicContact CE1-CG2 4.4Å; I385-T389 WeakPolarHBondContact CA-O 3.16Å; K386-T389 PolarHBondContact N-O 3.06Å; K386-T389 WeakPolarHBondContact O-CB 3.49Å; K386-T389 PolarHBondContact O-N 3.09Å; N387-T389 PolarHBondContact O-N 3.29Å; N387-T389 VanDerWaalsContact O-N 3.17Å; T389-Y391 HydrophobicContact CG2-CD2 4.2Å; T389-Y391 HydrophobicContact CG2-CE1 4.38Å; T389-Y391 HydrophobicContact CG2-CE2 3.76Å
390	L	81.5	Confident	83.9	Confident	5 Å²	5	38.8 Å²	38.8	3%	0.026	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	123.6	170.2	-179.2	64.6	0	0	0	108.7	G348 S349 C351 P355 F358 L383 I385	G348-L390 CarbonylContact C-O 3.52Å; G348-L390 WeakPolarHBondContact CA-O 3.32Å; S349-L390 PolarHBondContact N-O 2.84Å; C351-L390 HydrophobicContact CB-CD2 3.66Å; P355-L390 HydrophobicContact CB-CD1 4.4Å; P355-L390 HydrophobicContact CG-CD1 3.66Å; F358-L390 HydrophobicContact CZ-CD2 3.9Å; L383-L390 HydrophobicContact CB-CD1 3.95Å; L383-L390 HydrophobicContact CD1-CD1 4.32Å; L383-L390 HydrophobicContact CD1-CD2 4.47Å; I385-L390 HydrophobicContact CG1-CD1 4.22Å
391	Y	84.8	Confident	83.8	Confident	31 Å²	31	38.7 Å²	38.7	12%	0.122	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	130.7	174.6	-70.3	-88.4	0	0	0	110.5	F296 M346 F347 L383 V384 K386 T389	F296-Y391 HydrophobicContact CE1-CD2 4.27Å; F296-Y391 HydrophobicContact CE1-CE2 4.31Å; M346-Y391 HydrophobicContact CB-CD1 4.15Å; F347-Y391 CarbonylContact O-C 3.41Å; F347-Y391 VanDerWaalsContact O-CA 3.28Å; F347-Y391 WeakPolarHBondContact O-CA 3.42Å; L383-Y391 CarbonylContact C-O 3.59Å; L383-Y391 VanDerWaalsContact CA-O 3.32Å; L383-Y391 WeakPolarHBondContact CA-O 3.38Å; V384-Y391 HydrophobicContact CG1-CG 4.44Å; V384-Y391 PolarHBondContact N-O 3.21Å; V384-Y391 PolarHBondContact O-N 3.42Å; K386-Y391 HydrophobicContact CB-CD2 4.16Å; K386-Y391 HydrophobicContact CB-CE2 3.94Å; T389-Y391 HydrophobicContact CG2-CD2 4.2Å; T389-Y391 HydrophobicContact CG2-CE1 4.38Å; T389-Y391 HydrophobicContact CG2-CE2 3.76Å
392	H	88.8	Confident	83.8	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	117.8	171.7	-59.5	-107.5	0	0	0	109.1	M346 F347 S349 L380 L383 Y394 S461 I465	M346-H392 WeakPolarHBondContact CA-O 3.11Å; F347-H392 PolarHBondContact N-O 3.46Å; F347-H392 PolarHBondContact O-N 2.96Å; S349-H392 WeakPolarHBondContact CB-NE2 3.24Å; L380-H392 HydrophobicContact CD1-CB 4.31Å; L383-H392 HydrophobicContact CD2-CB 4.15Å; L383-H392 VanDerWaalsContact CD2-ND1 3.35Å; L383-H392 WeakPolarHBondContact CD2-ND1 3.19Å; H392-Y394 HydrophobicContact CB-CD2 4.46Å; H392-Y394 HydrophobicContact CB-CE2 3.78Å; H392-S461 PolarHBondContact ND1-OG 3.26Å; H392-I465 VanDerWaalsContact CE1-CD1 3.43Å; H392-I465 WeakPolarHBondContact CE1-CD1 3.34Å
393	V	89.9	Confident	83.9	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	121.7	-171.3	-173.7	0	0	0	0	109.8	L289 I294 V344 L345 M346 L380 V381 G382 V384	L289-V393 HydrophobicContact CD1-CB 3.92Å; L289-V393 HydrophobicContact CD1-CG1 4.09Å; L289-V393 HydrophobicContact CD1-CG2 3.97Å; I294-V393 HydrophobicContact CD1-CG1 4.47Å; I294-V393 HydrophobicContact CD1-CG2 3.9Å; V344-V393 HydrophobicContact CB-CG1 3.73Å; V344-V393 HydrophobicContact CG1-CG1 3.97Å; V344-V393 HydrophobicContact CG2-CG1 3.89Å; L345-V393 CarbonylContact O-C 3.19Å; L345-V393 WeakPolarHBondContact O-CA 3.34Å; M346-V393 HydrophobicContact CG-CG1 4.45Å; M346-V393 HydrophobicContact CG-CG2 4.26Å; L380-V393 WeakPolarHBondContact CD1-O 3.41Å; V381-V393 WeakPolarHBondContact CA-O 3.5Å; V381-V393 HydrophobicContact CB-CG1 4.32Å; V381-V393 WeakPolarHBondContact CB-O 3.47Å; V381-V393 PolarHBondContact N-O 3.3Å; G382-V393 PolarHBondContact N-O 3.26Å; G382-V393 PolarHBondContact O-N 3.13Å; V384-V393 HydrophobicContact CB-CG2 4.41Å; V384-V393 HydrophobicContact CG1-CG2 3.74Å
394	Y	91.9	Very high	83.7	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	152.5	-179.3	-69.5	-97	0	0	0	111.2	V344 L345 F347 A378 P379 L380 H392 S396 N459 W460 S461	V344-Y394 CarbonylContact C-O 3.46Å; V344-Y394 WeakPolarHBondContact CA-O 3.4Å; V344-Y394 WeakPolarHBondContact CB-O 3.38Å; L345-Y394 PolarHBondContact N-O 3.35Å; L345-Y394 PolarHBondContact O-N 3.1Å; F347-Y394 AromaticContact CD2-CD2 3.6Å; F347-Y394 HydrophobicContact CD2-CD2 3.6Å; F347-Y394 AromaticContact CD2-CE2 3.78Å; F347-Y394 HydrophobicContact CD2-CE2 3.78Å; F347-Y394 AromaticContact CE2-CD2 3.77Å; F347-Y394 HydrophobicContact CE2-CD2 3.77Å; F347-Y394 HydrophobicContact CE2-CE2 4.19Å; F347-Y394 HydrophobicContact CE2-CG 4.42Å; A378-Y394 HydrophobicContact CB-CD1 3.91Å; A378-Y394 WeakPolarHBondContact O-CD1 3.5Å; P379-Y394 VanDerWaalsContact O-CA 3.31Å; P379-Y394 WeakPolarHBondContact O-CA 3.46Å; L380-Y394 HydrophobicContact CB-CD1 4.32Å; L380-Y394 HydrophobicContact CB-CE1 4.05Å; L380-Y394 HydrophobicContact CD1-CD1 4.32Å; L380-Y394 HydrophobicContact CD1-CD2 4.12Å; L380-Y394 HydrophobicContact CD1-CE1 3.96Å; L380-Y394 HydrophobicContact CD1-CE2 3.74Å; L380-Y394 HydrophobicContact CD1-CG 4.4Å; H392-Y394 HydrophobicContact CB-CD2 4.46Å; H392-Y394 HydrophobicContact CB-CE2 3.78Å; Y394-S396 PolarHBondContact O-N 3.3Å; Y394-N459 WeakPolarHBondContact OH-CA 3.46Å; Y394-W460 AromaticContact CE1-CD1 3.95Å; Y394-W460 AromaticContact CE1-CE2 3.96Å; Y394-W460 HydrophobicContact CE1-CZ2 4.41Å; Y394-W460 AromaticContact CE1-NE1 3.5Å; Y394-W460 PolarHBondContact OH-N 3.18Å; Y394-S461 WeakPolarHBondContact OH-CB 3.44Å; Y394-S461 PolarHBondContact OH-N 3.14Å; Y394-S461 PolarHBondContact OH-OG 3.04Å
395	E	91.4	Very high	83.8	Confident	73 Å²	73	42.4 Å²	42.4	34%	0.341	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	130.2	168.5	-170.9	164.7	-154.1	0	0	109.8	K342 P379 V381 P397	K342-E395 IonicContact NZ-OE1 3.74Å; K342-E395 PolarHBondContact NZ-OE1 3.32Å; P379-E395 PolarHBondContact O-N 3.19Å; V381-E395 HydrophobicContact CG2-CB 4.35Å; E395-P397 WeakPolarHBondContact O-CD 3.3Å
396	S	88.3	Confident	84.3	Confident	33 Å²	33	40 Å²	40	23%	0.231	22%	0.217	C	C	.	.			trans	-75.6	127.1	-177.9	-176.6	0	0	0	0	111.5	E343 Y394	E343-S396 WeakPolarHBondContact O-CB 3.42Å; E343-S396 PolarHBondContact O-N 3.46Å; Y394-S396 PolarHBondContact O-N 3.3Å
397	P	83.8	Confident	84.7	Confident	21 Å²	21	44.9 Å²	44.9	14%	0.136	24%	0.24	C	C	.	.			trans	-71.4	-27.8	175.9	-25.9	40.7	0	0	0	114.2	E395 F448 L449 D450 K456	E395-P397 WeakPolarHBondContact O-CD 3.3Å; P397-F448 HydrophobicContact CB-CB 4.09Å; P397-F448 HydrophobicContact CG-CB 3.62Å; P397-L449 WeakPolarHBondContact CB-O 3.13Å; P397-D450 HydrophobicContact CB-CB 3.88Å; P397-D450 WeakPolarHBondContact O-CA 3.27Å; P397-K456 HydrophobicContact CG-CB 4.41Å; P397-K456 HydrophobicContact CG-CD 4.44Å
398	G	76.3	Confident	84.9	Confident	53 Å²	53	40.6 Å²	40.6	55%	0.546	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	107.1	-23.2	166.2	0	0	0	0	0	118.2
399	R	74.2	Confident	84	Confident	115 Å²	115	36.5 Å²	36.5	43%	0.434	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	-2.1	-177.4	-72.4	-166.6	-178.2	-123.3	-0.1	116	L449 D450 K451	R399-L449 HydrophobicContact CB-CB 4.06Å; R399-L449 WeakPolarHBondContact CB-O 3.26Å; R399-L449 PolarHBondContact N-O 3.21Å; R399-L449 VanDerWaalsContact N-O 3.09Å; R399-D450 VanDerWaalsContact CD-O 3.28Å; R399-D450 WeakPolarHBondContact CD-O 3.37Å; R399-D450 PolarHBondContact NE-O 3.04Å; R399-K451 PolarHBondContact NE-O 3.3Å; R399-K451 PolarHBondContact NH2-O 3.13Å
400	G	83.8	Confident	83.1	Confident	20 Å²	20	41.2 Å²	41.2	21%	0.206	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	95.8	-174.5	-173.5	0	0	0	0	0	112.7	F448 L449	G400-F448 WeakPolarHBondContact O-CA 3.39Å; G400-F448 WeakPolarHBondContact O-CD1 3.46Å; G400-L449 PolarHBondContact O-N 3.45Å; G400-L449 VanDerWaalsContact O-N 3.13Å
401	S	89.9	Confident	82.1	Confident	8 Å²	8	45.9 Å²	45.9	6%	0.056	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	158.1	-179.2	70.7	0	0	0	0	111.9	H403 Q404 T405 I447	S401-H403 PolarHBondContact O-N 3.05Å; S401-Q404 VanDerWaalsContact N-OE1 3.14Å; S401-Q404 PolarHBondContact O-N 2.91Å; S401-Q404 WeakPolarHBondContact OG-CG 3.32Å; S401-Q404 PolarHBondContact OG-N 2.86Å; S401-T405 PolarHBondContact O-N 3.39Å; S401-T405 PolarHBondContact O-OG1 3.17Å; S401-I447 CarbonylContact C-O 3.47Å; S401-I447 WeakPolarHBondContact CA-O 3.41Å
402	L	92.4	Very high	81.2	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-60.8	-38.4	174.1	177.4	58.6	0	0	0	110.3	Q404 T405 L406 L421 T444 I447 L449 I525	L402-Q404 PolarHBondContact O-N 2.92Å; L402-T405 WeakPolarHBondContact O-CB 3.49Å; L402-T405 PolarHBondContact O-N 3.38Å; L402-T405 VanDerWaalsContact O-N 3.11Å; L402-L406 HydrophobicContact CD1-CD1 4.33Å; L402-L406 HydrophobicContact CD1-CD2 4.4Å; L402-L406 HydrophobicContact CD1-CG 4.1Å; L402-L406 HydrophobicContact CG-CD1 4.05Å; L402-L406 HydrophobicContact CG-CG 4.28Å; L402-L406 WeakPolarHBondContact O-CG 3.41Å; L402-L406 PolarHBondContact O-N 3.02Å; L402-L421 HydrophobicContact CD1-CD1 4.06Å; L402-T444 HydrophobicContact CD2-CG2 4.16Å; L402-T444 HydrophobicContact CG-CG2 4.38Å; L402-T444 PolarHBondContact N-O 2.92Å; L402-I447 HydrophobicContact CB-CB 4.01Å; L402-I447 HydrophobicContact CB-CG2 3.9Å; L402-I447 HydrophobicContact CD2-CB 4.34Å; L402-I447 HydrophobicContact CD2-CD1 4.34Å; L402-I447 HydrophobicContact CD2-CG2 3.94Å; L402-I447 PolarHBondContact N-O 3.44Å; L402-L449 HydrophobicContact CD1-CD2 4.41Å; L402-I525 HydrophobicContact CD2-CD1 4.07Å; L402-I525 HydrophobicContact CD2-CG1 4.17Å
403	H	91.2	Very high	80.7	Confident	26 Å²	26	53.7 Å²	53.7	12%	0.12	30%	0.298	C	S	.	.	H	α-helix	trans	-54.5	-51	175.3	-176.6	74	0	0	0	112.7	S401 T405 L406 E407 T444 W445 E524	S401-H403 PolarHBondContact O-N 3.05Å; H403-T405 PolarHBondContact O-N 2.95Å; H403-L406 PolarHBondContact O-N 3.42Å; H403-L406 VanDerWaalsContact O-N 3.13Å; H403-E407 PolarHBondContact O-N 3.32Å; H403-T444 PolarHBondContact N-O 3.34Å; H403-T444 VanDerWaalsContact N-O 3.12Å; H403-W445 HydrophobicContact CB-CD2 4.07Å; H403-W445 HydrophobicContact CB-CG 4.09Å; H403-W445 AromaticContact CD2-CD1 3.86Å; H403-W445 AromaticContact CD2-CE2 3.4Å; H403-W445 AromaticContact CD2-CZ2 3.67Å; H403-W445 AromaticContact CD2-NE1 3.07Å; H403-W445 PolarHBondContact CD2-NE1 2.75Å; H403-W445 AromaticContact CE1-CE2 3.66Å; H403-W445 AromaticContact CE1-CH2 3.61Å; H403-W445 AromaticContact CE1-CZ2 3.11Å; H403-W445 WeakPolarHBondContact CE1-CZ2 3.35Å; H403-W445 AromaticContact CG-CD1 3.99Å; H403-W445 AromaticContact CG-CD2 3.87Å; H403-W445 AromaticContact CG-CE2 3.41Å; H403-W445 VanDerWaalsContact CG-CE2 3.41Å; H403-W445 AromaticContact CG-CZ2 3.71Å; H403-W445 AromaticContact CG-NE1 3.44Å; H403-W445 AromaticContact ND1-CE2 3.59Å; H403-W445 AromaticContact ND1-CH2 3.68Å; H403-W445 AromaticContact ND1-CZ2 3.39Å; H403-W445 WeakPolarHBondContact ND1-CZ2 3.47Å; H403-W445 AromaticContact NE2-CE2 3.52Å; H403-W445 AromaticContact NE2-CZ2 3.26Å; H403-W445 VanDerWaalsContact NE2-CZ2 3.26Å; H403-W445 WeakPolarHBondContact NE2-CZ2 3.29Å; H403-W445 AromaticContact NE2-NE1 3.5Å; H403-E524 IonicContact CE1-OE1 2.78Å; H403-E524 IonicContact CG-OE1 2.98Å; H403-E524 IonicContact ND1-OE1 2.99Å; H403-E524 PolarHBondContact ND1-OE1 3.04Å
404	Q	86.3	Confident	80.2	Confident	89 Å²	89	56.2 Å²	56.2	42%	0.416	31%	0.311	S	S	.	.	H	α-helix	trans	-59.6	-36.5	177.9	-71.1	174	-40.9	0	0	112.1	S401 L402 S408	S401-Q404 VanDerWaalsContact N-OE1 3.14Å; S401-Q404 PolarHBondContact O-N 2.91Å; S401-Q404 WeakPolarHBondContact OG-CG 3.32Å; S401-Q404 PolarHBondContact OG-N 2.86Å; L402-Q404 PolarHBondContact O-N 2.92Å; Q404-S408 WeakPolarHBondContact O-CB 3.37Å; Q404-S408 PolarHBondContact O-N 3.21Å; Q404-S408 VanDerWaalsContact O-N 3.1Å
405	T	88	Confident	79.9	Confident	12 Å²	12	61 Å²	61	7%	0.074	33%	0.334	C	S	.	.	H	α-helix	trans	-66.8	-43.5	177.6	-56.2	0	0	0	0	111.2	S401 L402 H403 S408 L449 W453	S401-T405 PolarHBondContact O-N 3.39Å; S401-T405 PolarHBondContact O-OG1 3.17Å; L402-T405 WeakPolarHBondContact O-CB 3.49Å; L402-T405 PolarHBondContact O-N 3.38Å; L402-T405 VanDerWaalsContact O-N 3.11Å; H403-T405 PolarHBondContact O-N 2.95Å; T405-S408 PolarHBondContact O-N 3.46Å; T405-S408 PolarHBondContact O-OG 3.42Å; T405-L449 HydrophobicContact CG2-CD1 3.82Å; T405-L449 WeakPolarHBondContact OG1-CD1 3.36Å; T405-W453 HydrophobicContact CG2-CH2 4.31Å; T405-W453 HydrophobicContact CG2-CZ3 3.65Å
406	L	89.6	Confident	79.6	Confident	3 Å²	3	60.2 Å²	60.2	2%	0.016	33%	0.33	C	S	.	.	H	α-helix	trans	-66.6	-37.8	178.9	-65.9	174.9	0	0	0	112.1	L402 H403 L413 T444 E524 I525 R528	L402-L406 HydrophobicContact CD1-CD1 4.33Å; L402-L406 HydrophobicContact CD1-CD2 4.4Å; L402-L406 HydrophobicContact CD1-CG 4.1Å; L402-L406 HydrophobicContact CG-CD1 4.05Å; L402-L406 HydrophobicContact CG-CG 4.28Å; L402-L406 WeakPolarHBondContact O-CG 3.41Å; L402-L406 PolarHBondContact O-N 3.02Å; H403-L406 PolarHBondContact O-N 3.42Å; H403-L406 VanDerWaalsContact O-N 3.13Å; L406-L413 HydrophobicContact CD2-CD1 3.58Å; L406-T444 HydrophobicContact CD1-CG2 4.24Å; L406-E524 HydrophobicContact CD1-CB 4.41Å; L406-E524 HydrophobicContact CD1-CG 3.9Å; L406-I525 HydrophobicContact CD1-CG1 4.18Å; L406-R528 PolarHBondContact O-NE 3.13Å; L406-R528 PolarHBondContact O-NH2 3.37Å
407	E	85.3	Confident	79.6	Confident	145 Å²	145	58.7 Å²	58.7	68%	0.678	32%	0.319	S	S	*	.	H	α-helix	trans	-70.4	-31.4	177.3	-169.4	175.8	-157.6	0	0	112.6	H403 A409	H403-E407 PolarHBondContact O-N 3.32Å; E407-A409 PolarHBondContact O-N 3.23Å; E407-A409 VanDerWaalsContact O-N 3.1Å
408	S	76.8	Confident	79.9	Confident	35 Å²	35	59.4 Å²	59.4	25%	0.245	32%	0.32	C	S	.	.			trans	-67.7	111.6	-177.5	70.8	0	0	0	0	112.6	Q404 T405 P410 Y411 R528	Q404-S408 WeakPolarHBondContact O-CB 3.37Å; Q404-S408 PolarHBondContact O-N 3.21Å; Q404-S408 VanDerWaalsContact O-N 3.1Å; T405-S408 PolarHBondContact O-N 3.46Å; T405-S408 PolarHBondContact O-OG 3.42Å; S408-P410 WeakPolarHBondContact O-CD 3.39Å; S408-Y411 WeakPolarHBondContact OG-CD2 3.47Å; S408-R528 PolarHBondContact O-NH2 2.86Å
409	A	54.1	Low	80.7	Confident	89 Å²	89	57.2 Å²	57.2	74%	0.736	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-29.9	179.6	0	0	0	0	0	117.5	E407 Y411	E407-A409 PolarHBondContact O-N 3.23Å; E407-A409 VanDerWaalsContact O-N 3.1Å; A409-Y411 VanDerWaalsContact C-N 3.33Å; A409-Y411 PolarHBondContact O-N 3.41Å
410	P	56.8	Low	81.5	Confident	108 Å²	108	52.5 Å²	52.5	70%	0.701	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-12.8	-168.5	27	-33.4	0	0	0	115.6	S408	S408-P410 WeakPolarHBondContact O-CD 3.39Å
411	Y	60.5	Low	81.9	Confident	103 Å²	103	51.6 Å²	51.6	40%	0.404	27%	0.269	S	S	.	.			trans	-98.7	105.8	178.7	-56.7	-74.8	0	0	0	110.2	S408 A409 L413 W453 R528	S408-Y411 WeakPolarHBondContact OG-CD2 3.47Å; A409-Y411 VanDerWaalsContact C-N 3.33Å; A409-Y411 PolarHBondContact O-N 3.41Å; Y411-L413 VanDerWaalsContact C-N 3.3Å; Y411-L413 PolarHBondContact O-N 3.48Å; Y411-W453 HydrophobicContact CD1-CH2 4.11Å; Y411-W453 HydrophobicContact CD2-CH2 4.47Å; Y411-W453 HydrophobicContact CE1-CH2 4.08Å; Y411-W453 HydrophobicContact CE1-CZ2 4.2Å; Y411-W453 HydrophobicContact CE2-CH2 4.45Å; Y411-W453 HydrophobicContact CG-CH2 4.31Å; Y411-R528 PolarHBondContact O-NH1 2.87Å
412	E	64.9	Low	82.2	Confident	182 Å²	182	51.2 Å²	51.2	85%	0.85	27%	0.266	S	S	*	.			trans	-68.5	92.4	164.1	-75.9	-173.9	168.3	0	0	108.8	N414	E412-N414 PolarHBondContact O-N 3.48Å
413	L	78.6	Confident	82.3	Confident	12 Å²	12	52 Å²	52	6%	0.063	27%	0.27	C	S	.	.			trans	-70	95.4	173	-64.3	168.7	0	0	0	108.3	L406 Y411 I417 K418	L406-L413 HydrophobicContact CD2-CD1 3.58Å; Y411-L413 VanDerWaalsContact C-N 3.3Å; Y411-L413 PolarHBondContact O-N 3.48Å; L413-I417 HydrophobicContact CB-CG2 4.45Å; L413-I417 HydrophobicContact CD2-CG2 3.49Å; L413-I417 VanDerWaalsContact CD2-CG2 3.49Å; L413-K418 HydrophobicContact CB-CG 4.37Å; L413-K418 VanDerWaalsContact O-CE 3.26Å; L413-K418 WeakPolarHBondContact O-CE 3.41Å
414	N	80.8	Confident	82.5	Confident	54 Å²	54	51.9 Å²	51.9	29%	0.289	27%	0.271	S	S	.	.			trans	-63.1	164.2	173.7	71.2	9.2	0	0	0	111.2	E412 E416 I417 K418 I601	E412-N414 PolarHBondContact O-N 3.48Å; N414-E416 VanDerWaalsContact C-N 3.26Å; N414-E416 PolarHBondContact O-N 3.25Å; N414-I417 PolarHBondContact O-N 3.19Å; N414-I417 VanDerWaalsContact O-N 3.17Å; N414-I417 WeakPolarHBondContact OD1-CB 3.24Å; N414-I417 WeakPolarHBondContact OD1-CD1 3.16Å; N414-I417 WeakPolarHBondContact OD1-CG1 3.39Å; N414-I417 PolarHBondContact OD1-N 2.95Å; N414-K418 PolarHBondContact O-N 3.4Å; N414-I601 VanDerWaalsContact ND2-CG2 3.28Å; N414-I601 WeakPolarHBondContact ND2-CG2 3.2Å
415	E	85.3	Confident	83	Confident	99 Å²	99	47.6 Å²	47.6	46%	0.463	25%	0.251	S	S	.	.	H	α-helix	trans	-59.4	-36.4	-174.9	-163.8	177.6	168.3	0	0	112.7	I417 K418 Y419 F526 P562	E415-I417 PolarHBondContact O-N 3.14Å; E415-K418 WeakPolarHBondContact O-CB 3.38Å; E415-K418 PolarHBondContact O-N 2.96Å; E415-Y419 HydrophobicContact CG-CD2 4.17Å; E415-Y419 HydrophobicContact CG-CE2 4.06Å; E415-Y419 WeakPolarHBondContact O-CD2 3.43Å; E415-Y419 PolarHBondContact O-N 2.87Å; E415-F526 HydrophobicContact CG-CE1 4.26Å; E415-P562 HydrophobicContact CG-CG 4.41Å; E415-P562 WeakPolarHBondContact OE1-CG 3.23Å
416	E	85.7	Confident	83.4	Confident	57 Å²	57	47.1 Å²	47.1	27%	0.266	25%	0.248	S	C	.	.	H	α-helix	trans	-59.4	-46.4	176.2	-68.4	-178.4	-154.3	0	0	112.3	N414 K418 Y419 I420 P593 T594 I601	N414-E416 VanDerWaalsContact C-N 3.26Å; N414-E416 PolarHBondContact O-N 3.25Å; E416-K418 VanDerWaalsContact C-N 3.31Å; E416-K418 PolarHBondContact O-N 3.17Å; E416-Y419 PolarHBondContact O-N 2.88Å; E416-I420 WeakPolarHBondContact O-CG1 3.28Å; E416-I420 PolarHBondContact O-N 2.95Å; E416-P593 HydrophobicContact CG-CB 4.03Å; E416-P593 HydrophobicContact CG-CG 3.92Å; E416-T594 HydrophobicContact CG-CG2 4.15Å; E416-T594 VanDerWaalsContact OE1-CG2 3.27Å; E416-T594 WeakPolarHBondContact OE1-CG2 3.13Å; E416-T594 VanDerWaalsContact OE2-CG2 3.29Å; E416-T594 WeakPolarHBondContact OE2-CG2 3.29Å; E416-T594 PolarHBondContact OE2-OG1 3.39Å; E416-I601 HydrophobicContact CB-CD1 3.79Å; E416-I601 WeakPolarHBondContact OE2-CD1 3.39Å
417	I	87.2	Confident	83.8	Confident	1 Å²	1	49.3 Å²	49.3	1%	0.005	26%	0.259	C	S	.	.	H	α-helix	trans	-62.5	-40.4	177.4	-72.4	171.4	0	0	0	111	L413 N414 E415 Y419 I420 L421 I598 I601 L602	L413-I417 HydrophobicContact CB-CG2 4.45Å; L413-I417 HydrophobicContact CD2-CG2 3.49Å; L413-I417 VanDerWaalsContact CD2-CG2 3.49Å; N414-I417 PolarHBondContact O-N 3.19Å; N414-I417 VanDerWaalsContact O-N 3.17Å; N414-I417 WeakPolarHBondContact OD1-CB 3.24Å; N414-I417 WeakPolarHBondContact OD1-CD1 3.16Å; N414-I417 WeakPolarHBondContact OD1-CG1 3.39Å; N414-I417 PolarHBondContact OD1-N 2.95Å; E415-I417 PolarHBondContact O-N 3.14Å; I417-Y419 VanDerWaalsContact C-N 3.33Å; I417-Y419 PolarHBondContact O-N 3.47Å; I417-I420 PolarHBondContact O-N 3.5Å; I417-L421 HydrophobicContact CG2-CD1 3.97Å; I417-L421 HydrophobicContact CG2-CG 4.35Å; I417-L421 WeakPolarHBondContact O-CG 3.38Å; I417-L421 PolarHBondContact O-N 3.36Å; I417-I598 HydrophobicContact CB-CD1 4.3Å; I417-I598 HydrophobicContact CD1-CG1 4.35Å; I417-I598 HydrophobicContact CG1-CD1 4.12Å; I417-I598 HydrophobicContact CG1-CG1 3.99Å; I417-I598 HydrophobicContact CG2-CD1 3.52Å; I417-I598 HydrophobicContact CG2-CG1 4.33Å; I417-I601 HydrophobicContact CD1-CG2 4.07Å; I417-I601 HydrophobicContact CG1-CG2 4.06Å; I417-L602 HydrophobicContact CD1-CD2 3.72Å; I417-L602 HydrophobicContact CD1-CG 4.02Å
418	K	90.8	Very high	84.4	Confident	37 Å²	37	42.4 Å²	42.4	16%	0.161	23%	0.227	C	C	.	.	H	α-helix	trans	-60.1	-41.8	177	-69.2	171.8	169.9	-176.3	0	111.7	L413 N414 E415 E416 S422 I525 F526	L413-K418 HydrophobicContact CB-CG 4.37Å; L413-K418 VanDerWaalsContact O-CE 3.26Å; L413-K418 WeakPolarHBondContact O-CE 3.41Å; N414-K418 PolarHBondContact O-N 3.4Å; E415-K418 WeakPolarHBondContact O-CB 3.38Å; E415-K418 PolarHBondContact O-N 2.96Å; E416-K418 VanDerWaalsContact C-N 3.31Å; E416-K418 PolarHBondContact O-N 3.17Å; K418-S422 WeakPolarHBondContact O-CB 3.17Å; K418-S422 PolarHBondContact O-N 3.42Å; K418-S422 PolarHBondContact O-OG 3.16Å; K418-I525 HydrophobicContact CB-CG2 3.75Å; K418-I525 WeakPolarHBondContact CE-O 3.21Å; K418-I525 HydrophobicContact CG-CG2 3.95Å; K418-F526 HydrophobicContact CB-CD1 4.14Å; K418-F526 HydrophobicContact CB-CE1 3.8Å; K418-F526 HydrophobicContact CB-CE2 4.33Å; K418-F526 HydrophobicContact CB-CZ 3.91Å; K418-F526 HydrophobicContact CD-CD1 3.94Å; K418-F526 HydrophobicContact CD-CE1 4.31Å; K418-F526 HydrophobicContact CD-CG 4.43Å; K418-F526 PolarHBondContact NZ-O 3.46Å
419	Y	92.3	Very high	85.4	Confident	7 Å²	7	41 Å²	41	3%	0.027	22%	0.217	C	C	.	.	H	α-helix	trans	-64.2	-42.5	173.4	-90	-84.7	0	0	0	112.7	E415 E416 I417 S422 M423 F526 V565 L588 N591 P593	E415-Y419 HydrophobicContact CG-CD2 4.17Å; E415-Y419 HydrophobicContact CG-CE2 4.06Å; E415-Y419 WeakPolarHBondContact O-CD2 3.43Å; E415-Y419 PolarHBondContact O-N 2.87Å; E416-Y419 PolarHBondContact O-N 2.88Å; I417-Y419 VanDerWaalsContact C-N 3.33Å; I417-Y419 PolarHBondContact O-N 3.47Å; Y419-S422 WeakPolarHBondContact O-CB 3.39Å; Y419-S422 PolarHBondContact O-N 3.13Å; Y419-M423 WeakPolarHBondContact O-CB 3.39Å; Y419-M423 PolarHBondContact O-N 3.43Å; Y419-F526 HydrophobicContact CD2-CE1 4.19Å; Y419-F526 AromaticContact CD2-CZ 3.93Å; Y419-F526 HydrophobicContact CD2-CZ 3.93Å; Y419-F526 HydrophobicContact CE2-CE1 4.06Å; Y419-F526 AromaticContact CE2-CZ 3.98Å; Y419-F526 HydrophobicContact CE2-CZ 3.98Å; Y419-F526 HydrophobicContact CG-CZ 4.27Å; Y419-V565 HydrophobicContact CE1-CG2 4Å; Y419-V565 HydrophobicContact CE2-CG2 4.49Å; Y419-V565 WeakPolarHBondContact OH-CG2 3.4Å; Y419-L588 HydrophobicContact CD1-CD2 4.3Å; Y419-L588 HydrophobicContact CE1-CD2 4.27Å; Y419-N591 HydrophobicContact CE1-CB 3.9Å; Y419-P593 HydrophobicContact CD2-CG 4.11Å; Y419-P593 HydrophobicContact CE2-CG 4.42Å
420	I	91	Very high	87.4	Confident	16 Å²	16	39.1 Å²	39.1	8%	0.082	19%	0.193	C	C	.	.	H	α-helix	trans	-62	-47.4	179.3	-67.3	166.6	0	0	0	110.9	E416 I417 S422 M423 D424 K596 I598 I601	E416-I420 WeakPolarHBondContact O-CG1 3.28Å; E416-I420 PolarHBondContact O-N 2.95Å; I417-I420 PolarHBondContact O-N 3.5Å; I420-S422 VanDerWaalsContact C-N 3.32Å; I420-S422 PolarHBondContact O-N 2.93Å; I420-M423 WeakPolarHBondContact O-CB 3.34Å; I420-M423 PolarHBondContact O-N 2.75Å; I420-D424 PolarHBondContact O-N 3.4Å; I420-K596 WeakPolarHBondContact CD1-O 3.49Å; I420-I598 HydrophobicContact CD1-CB 4.23Å; I420-I598 HydrophobicContact CG2-CB 4.3Å; I420-I601 HydrophobicContact CD1-CD1 3.52Å
421	L	93	Very high	89.3	Confident	0 Å²	0	36 Å²	36	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-61.7	-42.3	177.2	-67.9	173	0	0	0	111.4	L402 I417 M423 D424 V425 L449 A455 I525 I598	L402-L421 HydrophobicContact CD1-CD1 4.06Å; I417-L421 HydrophobicContact CG2-CD1 3.97Å; I417-L421 HydrophobicContact CG2-CG 4.35Å; I417-L421 WeakPolarHBondContact O-CG 3.38Å; I417-L421 PolarHBondContact O-N 3.36Å; L421-M423 VanDerWaalsContact C-N 3.32Å; L421-M423 PolarHBondContact O-N 2.94Å; L421-D424 PolarHBondContact O-N 2.93Å; L421-V425 WeakPolarHBondContact O-CG2 3.35Å; L421-V425 PolarHBondContact O-N 2.97Å; L421-V425 VanDerWaalsContact O-N 3.13Å; L421-L449 HydrophobicContact CD2-CD2 3.74Å; L421-A455 HydrophobicContact CD2-CB 4.33Å; L421-I525 HydrophobicContact CB-CD1 4.4Å; L421-I598 HydrophobicContact CD2-CD1 4.44Å
422	S	95.4	Very high	91	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-61.3	-41.4	176.1	-59.4	0	0	0	0	111.8	K418 Y419 I420 V425 A426 F518 L522 F526	K418-S422 WeakPolarHBondContact O-CB 3.17Å; K418-S422 PolarHBondContact O-N 3.42Å; K418-S422 PolarHBondContact O-OG 3.16Å; Y419-S422 WeakPolarHBondContact O-CB 3.39Å; Y419-S422 PolarHBondContact O-N 3.13Å; I420-S422 VanDerWaalsContact C-N 3.32Å; I420-S422 PolarHBondContact O-N 2.93Å; S422-V425 PolarHBondContact O-N 2.88Å; S422-A426 WeakPolarHBondContact O-CB 3.32Å; S422-A426 PolarHBondContact O-N 2.97Å; S422-F518 WeakPolarHBondContact O-CZ 3.3Å; S422-L522 WeakPolarHBondContact OG-CD2 3.17Å; S422-F526 WeakPolarHBondContact OG-CE2 3.45Å
423	M	94	Very high	92.5	Very high	17 Å²	17	23.8 Å²	23.8	8%	0.084	12%	0.115	C	C	.	.	H	α-helix	trans	-64	-46.1	177.4	-172.4	65.6	75.2	0	0	111.9	Y419 I420 L421 V425 A426 N427 T585 L588 Q589	Y419-M423 WeakPolarHBondContact O-CB 3.39Å; Y419-M423 PolarHBondContact O-N 3.43Å; I420-M423 WeakPolarHBondContact O-CB 3.34Å; I420-M423 PolarHBondContact O-N 2.75Å; L421-M423 VanDerWaalsContact C-N 3.32Å; L421-M423 PolarHBondContact O-N 2.94Å; M423-V425 VanDerWaalsContact C-N 3.3Å; M423-V425 PolarHBondContact O-N 3.31Å; M423-A426 PolarHBondContact O-N 2.94Å; M423-N427 WeakPolarHBondContact O-CB 3.46Å; M423-N427 VanDerWaalsContact O-CG 3.29Å; M423-N427 PolarHBondContact O-N 2.81Å; M423-N427 PolarHBondContact O-ND2 3.07Å; M423-T585 HydrophobicContact SD-CG2 3.77Å; M423-L588 HydrophobicContact CE-CB 3.77Å; M423-L588 HydrophobicContact SD-CB 4.28Å; M423-Q589 HydrophobicContact CE-CB 3.52Å; M423-Q589 HydrophobicContact CE-CG 4.12Å; M423-Q589 VanDerWaalsContact CE-N 3.26Å; M423-Q589 HydrophobicContact SD-CB 4.5Å
424	D	95	Very high	93.2	Very high	23 Å²	23	31.4 Å²	31.4	12%	0.123	15%	0.148	C	C	.	.	H	α-helix	trans	-58	-45.4	178.2	-84.6	-17.2	0	0	0	111.3	N376 I420 L421 N427 G428 T454 A455	N376-D424 WeakPolarHBondContact CB-O 3.35Å; N376-D424 VanDerWaalsContact CG-O 3.22Å; N376-D424 VanDerWaalsContact ND2-CA 3.32Å; N376-D424 WeakPolarHBondContact ND2-CA 3.44Å; N376-D424 WeakPolarHBondContact ND2-CB 3.36Å; N376-D424 PolarHBondContact ND2-O 3.01Å; N376-D424 PolarHBondContact ND2-OD1 2.95Å; I420-D424 PolarHBondContact O-N 3.4Å; L421-D424 PolarHBondContact O-N 2.93Å; D424-N427 PolarHBondContact O-N 2.78Å; D424-G428 PolarHBondContact O-N 3.32Å; D424-T454 VanDerWaalsContact OD2-CA 3.32Å; D424-T454 WeakPolarHBondContact OD2-CA 3.5Å; D424-A455 HydrophobicContact CB-CB 3.7Å; D424-A455 PolarHBondContact OD2-N 3.16Å
425	V	97.7	Very high	93.8	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-66	-44.1	177.2	178.9	0	0	0	0	110.8	L421 S422 M423 N427 G428 I429 I447 A455 I457 F518	L421-V425 WeakPolarHBondContact O-CG2 3.35Å; L421-V425 PolarHBondContact O-N 2.97Å; L421-V425 VanDerWaalsContact O-N 3.13Å; S422-V425 PolarHBondContact O-N 2.88Å; M423-V425 VanDerWaalsContact C-N 3.3Å; M423-V425 PolarHBondContact O-N 3.31Å; V425-N427 PolarHBondContact O-N 2.74Å; V425-G428 PolarHBondContact O-N 3.09Å; V425-G428 VanDerWaalsContact O-N 3.13Å; V425-I429 HydrophobicContact CG1-CD1 4.1Å; V425-I429 HydrophobicContact CG1-CG1 4.47Å; V425-I429 WeakPolarHBondContact O-CG1 3.43Å; V425-I429 PolarHBondContact O-N 3.11Å; V425-I447 HydrophobicContact CB-CD1 4.48Å; V425-I447 HydrophobicContact CG1-CD1 3.78Å; V425-I447 HydrophobicContact CG2-CD1 3.76Å; V425-I447 HydrophobicContact CG2-CG1 4.45Å; V425-I447 HydrophobicContact CG2-CG2 4.01Å; V425-A455 HydrophobicContact CG2-CB 4.02Å; V425-I457 HydrophobicContact CG1-CD1 4.34Å; V425-F518 HydrophobicContact CB-CD2 4.39Å; V425-F518 HydrophobicContact CB-CE2 3.75Å; V425-F518 HydrophobicContact CG1-CD2 3.6Å; V425-F518 HydrophobicContact CG1-CE2 3.47Å; V425-F518 VanDerWaalsContact CG1-CE2 3.47Å
426	A	97.5	Very high	94.1	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.008	15%	0.148	C	C	.	.	H	α-helix	trans	-59	-44.2	176.9	0	0	0	0	0	112.4	S422 M423 G428 I429 Q430 F518 V584 L588	S422-A426 WeakPolarHBondContact O-CB 3.32Å; S422-A426 PolarHBondContact O-N 2.97Å; M423-A426 PolarHBondContact O-N 2.94Å; A426-G428 VanDerWaalsContact C-N 3.31Å; A426-G428 PolarHBondContact O-N 3Å; A426-I429 PolarHBondContact O-N 3.37Å; A426-Q430 WeakPolarHBondContact O-CB 3.41Å; A426-Q430 PolarHBondContact O-N 2.96Å; A426-F518 HydrophobicContact CB-CE1 4.18Å; A426-F518 HydrophobicContact CB-CZ 3.85Å; A426-V584 HydrophobicContact CB-CG1 4.1Å; A426-L588 HydrophobicContact CB-CD1 3.88Å
427	N	97.2	Very high	94.4	Very high	49 Å²	49	27.2 Å²	27.2	26%	0.262	14%	0.136	S	C	.	.	H	α-helix	trans	-60.6	-40	174.7	-75.6	-34.4	0	0	0	111.9	N376 M423 D424 V425 F431 T585	N376-N427 HydrophobicContact CB-CB 4.43Å; N376-N427 WeakPolarHBondContact OD1-CB 3.01Å; M423-N427 WeakPolarHBondContact O-CB 3.46Å; M423-N427 VanDerWaalsContact O-CG 3.29Å; M423-N427 PolarHBondContact O-N 2.81Å; M423-N427 PolarHBondContact O-ND2 3.07Å; D424-N427 PolarHBondContact O-N 2.78Å; V425-N427 PolarHBondContact O-N 2.74Å; N427-F431 VanDerWaalsContact O-CB 3.29Å; N427-F431 WeakPolarHBondContact O-CB 3.13Å; N427-F431 PolarHBondContact O-N 2.71Å; N427-T585 WeakPolarHBondContact OD1-CG2 3.25Å
428	G	97.2	Very high	94.7	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-60.7	-50.5	173.7	0	0	0	0	0	112	D424 V425 A426 Q430 F431 L432	D424-G428 PolarHBondContact O-N 3.32Å; V425-G428 PolarHBondContact O-N 3.09Å; V425-G428 VanDerWaalsContact O-N 3.13Å; A426-G428 VanDerWaalsContact C-N 3.31Å; A426-G428 PolarHBondContact O-N 3Å; G428-Q430 PolarHBondContact O-N 2.78Å; G428-F431 WeakPolarHBondContact O-CB 3.49Å; G428-F431 PolarHBondContact O-N 3.35Å; G428-L432 PolarHBondContact O-N 3.08Å
429	I	97.7	Very high	94.8	Very high	5 Å²	5	26.4 Å²	26.4	3%	0.026	13%	0.134	C	C	.	.	H	α-helix	trans	-60.7	-48	178.7	-62.3	169.4	0	0	0	110.5	V425 A426 F431 L432 H433 L442 I457 D514 F518 A581	V425-I429 HydrophobicContact CG1-CD1 4.1Å; V425-I429 HydrophobicContact CG1-CG1 4.47Å; V425-I429 WeakPolarHBondContact O-CG1 3.43Å; V425-I429 PolarHBondContact O-N 3.11Å; A426-I429 PolarHBondContact O-N 3.37Å; I429-F431 VanDerWaalsContact C-N 3.26Å; I429-F431 PolarHBondContact O-N 3.11Å; I429-L432 PolarHBondContact O-N 2.87Å; I429-L432 VanDerWaalsContact O-N 3.14Å; I429-H433 VanDerWaalsContact CG2-CE1 3.46Å; I429-H433 WeakPolarHBondContact CG2-CE1 3.43Å; I429-H433 PolarHBondContact O-CD2 2.8Å; I429-H433 PolarHBondContact O-N 2.85Å; I429-L442 HydrophobicContact CD1-CD2 3.52Å; I429-L442 HydrophobicContact CG1-CD2 3.81Å; I429-I457 HydrophobicContact CG1-CD1 3.79Å; I429-D514 HydrophobicContact CG2-CB 4.4Å; I429-F518 HydrophobicContact CD1-CB 3.61Å; I429-F518 HydrophobicContact CD1-CD1 4.41Å; I429-F518 HydrophobicContact CD1-CD2 3.5Å; I429-F518 VanDerWaalsContact CD1-CD2 3.5Å; I429-F518 HydrophobicContact CD1-CE2 4.31Å; I429-F518 HydrophobicContact CD1-CG 3.56Å; I429-A581 HydrophobicContact CG2-CB 3.95Å
430	Q	97.2	Very high	94.6	Very high	50 Å²	50	26.1 Å²	26.1	23%	0.234	13%	0.133	C	C	.	.	H	α-helix	trans	-56.7	-42.7	177.2	-173.3	-168.6	15.9	0	0	111.2	A426 G428 H433 K434 A581 E582	A426-Q430 WeakPolarHBondContact O-CB 3.41Å; A426-Q430 PolarHBondContact O-N 2.96Å; G428-Q430 PolarHBondContact O-N 2.78Å; Q430-H433 PolarHBondContact O-N 2.86Å; Q430-K434 VanDerWaalsContact O-CB 3.25Å; Q430-K434 WeakPolarHBondContact O-CB 3.37Å; Q430-K434 PolarHBondContact O-N 2.92Å; Q430-A581 HydrophobicContact CB-CB 4.04Å; Q430-E582 HydrophobicContact CG-CB 4.29Å; Q430-E582 VanDerWaalsContact NE2-CB 3.35Å; Q430-E582 VanDerWaalsContact NE2-CG 3.35Å
431	F	97	Very high	94.5	Very high	43 Å²	43	25.6 Å²	25.6	19%	0.189	13%	0.13	C	C	.	.	H	α-helix	trans	-62.7	-43.9	177.6	-178.6	-88.1	0	0	0	112.1	L372 I377 N427 G428 I429 H435	L372-F431 HydrophobicContact CB-CE1 3.97Å; L372-F431 HydrophobicContact CB-CZ 4.03Å; L372-F431 HydrophobicContact CD1-CE1 4.35Å; L372-F431 HydrophobicContact CD2-CE1 4.48Å; L372-F431 HydrophobicContact CD2-CZ 4.11Å; L372-F431 HydrophobicContact CG-CE1 4.49Å; I377-F431 HydrophobicContact CG1-CD1 3.77Å; I377-F431 HydrophobicContact CG1-CE1 4.37Å; I377-F431 HydrophobicContact CG1-CG 4.46Å; N427-F431 VanDerWaalsContact O-CB 3.29Å; N427-F431 WeakPolarHBondContact O-CB 3.13Å; N427-F431 PolarHBondContact O-N 2.71Å; G428-F431 WeakPolarHBondContact O-CB 3.49Å; G428-F431 PolarHBondContact O-N 3.35Å; I429-F431 VanDerWaalsContact C-N 3.26Å; I429-F431 PolarHBondContact O-N 3.11Å; F431-H435 AromaticContact CD2-CE1 3.95Å; F431-H435 AromaticContact CE1-CE1 3.95Å; F431-H435 AromaticContact CE1-ND1 3.83Å; F431-H435 AromaticContact CE2-CE1 3.48Å; F431-H435 VanDerWaalsContact CE2-CE1 3.48Å; F431-H435 WeakPolarHBondContact CE2-CE1 3.47Å; F431-H435 AromaticContact CZ-CE1 3.48Å; F431-H435 VanDerWaalsContact CZ-CE1 3.48Å; F431-H435 WeakPolarHBondContact CZ-CE1 3.32Å; F431-H435 AromaticContact CZ-ND1 3.85Å; F431-H435 PolarHBondContact O-N 3.5Å; F431-H435 PolarHBondContact O-ND1 3.11Å
432	L	95.6	Very high	94.5	Very high	3 Å²	3	25.6 Å²	25.6	2%	0.016	13%	0.131	C	C	.	.	H	α-helix	trans	-64.2	-48.5	176.8	-68.4	175.1	0	0	0	111.4	I377 G428 I429 K434 H435 G436 I437 H439 I457 W460	I377-L432 HydrophobicContact CD1-CD1 3.87Å; I377-L432 HydrophobicContact CD1-CD2 3.94Å; I377-L432 HydrophobicContact CD1-CG 3.66Å; I377-L432 HydrophobicContact CG1-CD2 4.39Å; I377-L432 HydrophobicContact CG1-CG 4.46Å; G428-L432 PolarHBondContact O-N 3.08Å; I429-L432 PolarHBondContact O-N 2.87Å; I429-L432 VanDerWaalsContact O-N 3.14Å; L432-K434 VanDerWaalsContact C-N 3.32Å; L432-K434 PolarHBondContact O-N 2.82Å; L432-H435 CarbonylContact O-C 3.6Å; L432-H435 WeakPolarHBondContact O-CA 3.33Å; L432-H435 PolarHBondContact O-N 2.85Å; L432-G436 PolarHBondContact O-N 3.13Å; L432-I437 CarbonylContact C-O 3.53Å; L432-I437 VanDerWaalsContact C-O 3.32Å; L432-I437 HydrophobicContact CB-CB 4.18Å; L432-I437 HydrophobicContact CD2-CB 4.22Å; L432-I437 HydrophobicContact CD2-CD1 4.16Å; L432-I437 HydrophobicContact CD2-CG2 4.09Å; L432-I437 PolarHBondContact O-N 2.79Å; L432-H439 HydrophobicContact CD1-CB 4.37Å; L432-I457 HydrophobicContact CD1-CG2 4.32Å; L432-W460 HydrophobicContact CD1-CB 3.9Å; L432-W460 HydrophobicContact CD1-CG 4.35Å; L432-W460 HydrophobicContact CD2-CB 4.22Å; L432-W460 HydrophobicContact CD2-CD2 4.09Å; L432-W460 HydrophobicContact CD2-CE3 4.49Å; L432-W460 HydrophobicContact CD2-CG 3.96Å
433	H	95.9	Very high	94.5	Very high	25 Å²	25	25.6 Å²	25.6	12%	0.116	13%	0.131	C	C	.	.	H	α-helix	trans	-61	-41	-179.6	-71.1	-169.4	0	0	0	111.7	I429 Q430 H435 G436 F511 D514	I429-H433 VanDerWaalsContact CG2-CE1 3.46Å; I429-H433 WeakPolarHBondContact CG2-CE1 3.43Å; I429-H433 PolarHBondContact O-CD2 2.8Å; I429-H433 PolarHBondContact O-N 2.85Å; Q430-H433 PolarHBondContact O-N 2.86Å; H433-H435 PolarHBondContact O-N 2.83Å; H433-G436 PolarHBondContact O-N 2.87Å; H433-F511 HydrophobicContact CB-CD1 4.13Å; H433-F511 HydrophobicContact CB-CE1 4.14Å; H433-F511 AromaticContact CD2-CD1 3.44Å; H433-F511 VanDerWaalsContact CD2-CD1 3.44Å; H433-F511 WeakPolarHBondContact CD2-CD1 3.35Å; H433-F511 AromaticContact CD2-CE1 3.92Å; H433-F511 AromaticContact CE1-CD1 3.88Å; H433-F511 AromaticContact CG-CD1 3.56Å; H433-F511 AromaticContact ND1-CD1 3.85Å; H433-F511 AromaticContact ND1-CG 3.97Å; H433-F511 AromaticContact NE2-CD1 3.64Å; H433-D514 IonicContact CD2-OD2 3.73Å; H433-D514 IonicContact CE1-OD2 3.93Å; H433-D514 WeakPolarHBondContact NE2-CB 3.4Å; H433-D514 IonicContact NE2-OD2 3.9Å; H433-D514 PolarHBondContact NE2-OD2 3.12Å
434	K	94.6	Very high	94.4	Very high	173 Å²	173	24.8 Å²	24.8	75%	0.752	13%	0.127	S	C	*	.	H	α-helix	trans	-59.7	-27.5	174.5	-175.6	174.8	-179.6	175.1	0	113.2	Q430 L432	Q430-K434 VanDerWaalsContact O-CB 3.25Å; Q430-K434 WeakPolarHBondContact O-CB 3.37Å; Q430-K434 PolarHBondContact O-N 2.92Å; L432-K434 VanDerWaalsContact C-N 3.32Å; L432-K434 PolarHBondContact O-N 2.82Å
435	H	92.7	Very high	94.3	Very high	83 Å²	83	24.8 Å²	24.8	38%	0.384	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.6	8.8	175.8	-67.9	90	0	0	0	113.5	L372 F431 L432 H433 I437	L372-H435 HydrophobicContact CD1-CB 4.13Å; L372-H435 WeakPolarHBondContact CD2-CD2 3.35Å; L372-H435 VanDerWaalsContact CD2-NE2 3.35Å; L372-H435 WeakPolarHBondContact CD2-NE2 3.35Å; F431-H435 AromaticContact CD2-CE1 3.95Å; F431-H435 AromaticContact CE1-CE1 3.95Å; F431-H435 AromaticContact CE1-ND1 3.83Å; F431-H435 AromaticContact CE2-CE1 3.48Å; F431-H435 VanDerWaalsContact CE2-CE1 3.48Å; F431-H435 WeakPolarHBondContact CE2-CE1 3.47Å; F431-H435 AromaticContact CZ-CE1 3.48Å; F431-H435 VanDerWaalsContact CZ-CE1 3.48Å; F431-H435 WeakPolarHBondContact CZ-CE1 3.32Å; F431-H435 AromaticContact CZ-ND1 3.85Å; F431-H435 PolarHBondContact O-N 3.5Å; F431-H435 PolarHBondContact O-ND1 3.11Å; L432-H435 CarbonylContact O-C 3.6Å; L432-H435 WeakPolarHBondContact O-CA 3.33Å; L432-H435 PolarHBondContact O-N 2.85Å; H433-H435 PolarHBondContact O-N 2.83Å; H435-I437 VanDerWaalsContact C-N 3.32Å; H435-I437 HydrophobicContact CB-CD1 4.21Å; H435-I437 HydrophobicContact CB-CG1 4.27Å
436	G	91.5	Very high	94	Very high	37 Å²	37	24.8 Å²	24.8	38%	0.381	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.8	33.4	-179.3	0	0	0	0	0	113.1	R365 L432 H433	R365-G436 PolarHBondContact NH2-O 3.17Å; L432-G436 PolarHBondContact O-N 3.13Å; H433-G436 PolarHBondContact O-N 2.87Å
437	I	92.8	Very high	93.9	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.005	13%	0.125	C	C	.	.			trans	-110.8	121.4	176.7	-53.7	175.4	0	0	0	107.7	V369 L372 L432 H435 W460 F464	V369-I437 HydrophobicContact CB-CD1 4.38Å; V369-I437 HydrophobicContact CG1-CD1 3.7Å; L372-I437 HydrophobicContact CD1-CD1 3.92Å; L432-I437 CarbonylContact C-O 3.53Å; L432-I437 VanDerWaalsContact C-O 3.32Å; L432-I437 HydrophobicContact CB-CB 4.18Å; L432-I437 HydrophobicContact CD2-CB 4.22Å; L432-I437 HydrophobicContact CD2-CD1 4.16Å; L432-I437 HydrophobicContact CD2-CG2 4.09Å; L432-I437 PolarHBondContact O-N 2.79Å; H435-I437 VanDerWaalsContact C-N 3.32Å; H435-I437 HydrophobicContact CB-CD1 4.21Å; H435-I437 HydrophobicContact CB-CG1 4.27Å; I437-W460 HydrophobicContact CD1-CE3 4.17Å; I437-W460 HydrophobicContact CD1-CZ3 4Å; I437-W460 HydrophobicContact CG2-CE3 3.94Å; I437-F464 HydrophobicContact CB-CD2 4.41Å; I437-F464 HydrophobicContact CD1-CE2 4.37Å; I437-F464 HydrophobicContact CG1-CD2 3.91Å; I437-F464 HydrophobicContact CG1-CE2 3.86Å; I437-F464 HydrophobicContact CG2-CB 4.39Å; I437-F464 HydrophobicContact CG2-CD2 4.08Å
438	V	93.1	Very high	93.7	Very high	21 Å²	21	23 Å²	23	13%	0.127	12%	0.115	C	C	.	.			trans	-96.5	128.5	167.6	-176.3	0	0	0	0	107	F509 G510 F511 D514	V438-F509 HydrophobicContact CB-CB 4.37Å; V438-F509 HydrophobicContact CG1-CB 3.85Å; V438-G510 VanDerWaalsContact CG1-O 3.3Å; V438-G510 WeakPolarHBondContact CG1-O 3.45Å; V438-F511 HydrophobicContact CG2-CD1 3.55Å; V438-F511 HydrophobicContact CG2-CE1 3.61Å; V438-D514 WeakPolarHBondContact CA-OD2 3.4Å
439	H	93.2	Very high	93.4	Very high	1 Å²	1	23 Å²	23	1%	0.005	12%	0.115	C	C	.	.			trans	-70.9	-45.5	176.9	-175.2	-56.9	0	0	0	110.5	L432 L441 L442 I457 A458 W460 V463 D514	L432-H439 HydrophobicContact CD1-CB 4.37Å; H439-L441 PolarHBondContact CE1-O 3.11Å; H439-L441 PolarHBondContact ND1-N 3.36Å; H439-L441 VanDerWaalsContact ND1-N 3.19Å; H439-L441 PolarHBondContact O-N 3.24Å; H439-L442 HydrophobicContact CB-CB 4.29Å; H439-L442 PolarHBondContact CE1-N 3.38Å; H439-L442 PolarHBondContact ND1-N 3.19Å; H439-I457 WeakPolarHBondContact CD2-CG2 3.25Å; H439-A458 PolarHBondContact CD2-O 3.28Å; H439-A458 PolarHBondContact NE2-O 3.15Å; H439-W460 HydrophobicContact CB-CB 4.48Å; H439-V463 WeakPolarHBondContact O-CG2 3.39Å; H439-D514 WeakPolarHBondContact CB-OD1 3.2Å; H439-D514 PolarHBondContact N-OD1 3.01Å; H439-D514 PolarHBondContact N-OD2 3.44Å
440	G	88.3	Confident	93	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.118	C	C	.	.	S	Bend	trans	70.5	-30.5	176.9	0	0	0	0	0	115	F509 D514	G440-F509 VanDerWaalsContact CA-CD1 3.49Å; G440-D514 PolarHBondContact N-OD1 2.9Å
441	L	87.7	Confident	92.4	Very high	5 Å²	5	28.6 Å²	28.6	3%	0.026	14%	0.139	C	C	.	.	S	Bend	trans	-110.1	25.5	178.3	-58.7	178.6	0	0	0	114.1	Y332 H439 D443 N446 V463 L475 R497	Y332-L441 HydrophobicContact CE1-CD1 4.32Å; Y332-L441 HydrophobicContact CE1-CD2 4.2Å; H439-L441 PolarHBondContact CE1-O 3.11Å; H439-L441 PolarHBondContact ND1-N 3.36Å; H439-L441 VanDerWaalsContact ND1-N 3.19Å; H439-L441 PolarHBondContact O-N 3.24Å; L441-D443 PolarHBondContact O-N 2.96Å; L441-N446 PolarHBondContact O-ND2 3.06Å; L441-V463 HydrophobicContact CD1-CG2 4.33Å; L441-V463 HydrophobicContact CG-CG2 4Å; L441-L475 HydrophobicContact CD1-CD2 4.39Å; L441-R497 VanDerWaalsContact C-CZ 3.4Å; L441-R497 VanDerWaalsContact C-NH2 3.26Å; L441-R497 VanDerWaalsContact CA-NH1 3.28Å; L441-R497 PolarHBondContact O-NH1 2.84Å; L441-R497 PolarHBondContact O-NH2 2.91Å
442	L	93.7	Very high	91.8	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.005	15%	0.152	C	C	.	.			trans	-67.5	132.7	-173	-170.8	71.1	0	0	0	111.1	I429 H439 I447 I457 R497 S517 I521	I429-L442 HydrophobicContact CD1-CD2 3.52Å; I429-L442 HydrophobicContact CG1-CD2 3.81Å; H439-L442 HydrophobicContact CB-CB 4.29Å; H439-L442 PolarHBondContact CE1-N 3.38Å; H439-L442 PolarHBondContact ND1-N 3.19Å; L442-I447 HydrophobicContact CD1-CD1 4.47Å; L442-I447 HydrophobicContact CD1-CG1 4.44Å; L442-I457 HydrophobicContact CD1-CD1 4.16Å; L442-I457 HydrophobicContact CD1-CG1 4.35Å; L442-I457 HydrophobicContact CD1-CG2 3.66Å; L442-R497 VanDerWaalsContact N-NH1 3.19Å; L442-R497 PolarHBondContact O-NH1 3.44Å; L442-S517 WeakPolarHBondContact O-CB 3.11Å; L442-S517 PolarHBondContact O-OG 3.23Å; L442-I521 HydrophobicContact CD1-CD1 4.48Å; L442-I521 HydrophobicContact CD2-CD1 3.78Å; L442-I521 HydrophobicContact CG-CD1 3.66Å
443	D	93.9	Very high	91.3	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.154	C	C	.	.			trans	-162.4	172.1	174.4	57.2	37.7	0	0	0	109	L441 W445 N446 R493 F496 R497	L441-D443 PolarHBondContact O-N 2.96Å; D443-W445 HydrophobicContact CB-CE3 4.05Å; D443-W445 PolarHBondContact O-N 3.19Å; D443-W445 WeakPolarHBondContact OD1-CB 3.39Å; D443-W445 PolarHBondContact OD1-N 2.82Å; D443-W445 VanDerWaalsContact OD1-N 3.16Å; D443-N446 PolarHBondContact O-N 3.16Å; D443-N446 WeakPolarHBondContact OD1-CB 3.41Å; D443-N446 PolarHBondContact OD1-N 3.03Å; D443-N446 PolarHBondContact OD1-ND2 3.18Å; D443-R493 IonicContact OD1-CZ 3.75Å; D443-R493 IonicContact OD1-NH2 2.82Å; D443-R493 PolarHBondContact OD1-NH2 2.88Å; D443-R493 IonicContact OD2-CZ 2.8Å; D443-R493 VanDerWaalsContact OD2-CZ 3.26Å; D443-R493 IonicContact OD2-NE 3.48Å; D443-R493 PolarHBondContact OD2-NE 3.17Å; D443-R493 IonicContact OD2-NH2 2.73Å; D443-R493 PolarHBondContact OD2-NH2 3.26Å; D443-F496 HydrophobicContact CB-CB 4.07Å; D443-F496 HydrophobicContact CB-CD1 3.9Å; D443-F496 HydrophobicContact CB-CD2 4.23Å; D443-F496 HydrophobicContact CB-CE1 4.48Å; D443-F496 HydrophobicContact CB-CG 3.78Å; D443-R497 IonicContact OD2-NH2 2.72Å; D443-R497 PolarHBondContact OD2-NH2 3.43Å
444	T	94	Very high	91.1	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-17.5	-179.7	49.2	0	0	0	0	114.1	L402 H403 L406 I521 E524	L402-T444 HydrophobicContact CD2-CG2 4.16Å; L402-T444 HydrophobicContact CG-CG2 4.38Å; L402-T444 PolarHBondContact N-O 2.92Å; H403-T444 PolarHBondContact N-O 3.34Å; H403-T444 VanDerWaalsContact N-O 3.12Å; L406-T444 HydrophobicContact CD1-CG2 4.24Å; T444-I521 HydrophobicContact CG2-CB 4.34Å; T444-I521 HydrophobicContact CG2-CG1 3.96Å; T444-I521 HydrophobicContact CG2-CG2 4.02Å; T444-E524 VanDerWaalsContact CB-OE2 3.28Å; T444-E524 WeakPolarHBondContact CB-OE2 3.4Å; T444-E524 HydrophobicContact CG2-CB 4.41Å; T444-E524 HydrophobicContact CG2-CG 4.48Å; T444-E524 WeakPolarHBondContact CG2-OE2 3.33Å; T444-E524 VanDerWaalsContact OG1-CD 3.26Å; T444-E524 PolarHBondContact OG1-OE1 3.38Å; T444-E524 PolarHBondContact OG1-OE2 3.04Å
445	W	91.4	Very high	91	Very high	23 Å²	23	23.5 Å²	23.5	9%	0.087	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-28.2	172.1	-67.7	-94.1	0	0	0	112.4	H403 D443 I447 F448 Y489 K492 R493 F496	H403-W445 HydrophobicContact CB-CD2 4.07Å; H403-W445 HydrophobicContact CB-CG 4.09Å; H403-W445 AromaticContact CD2-CD1 3.86Å; H403-W445 AromaticContact CD2-CE2 3.4Å; H403-W445 AromaticContact CD2-CZ2 3.67Å; H403-W445 AromaticContact CD2-NE1 3.07Å; H403-W445 PolarHBondContact CD2-NE1 2.75Å; H403-W445 AromaticContact CE1-CE2 3.66Å; H403-W445 AromaticContact CE1-CH2 3.61Å; H403-W445 AromaticContact CE1-CZ2 3.11Å; H403-W445 WeakPolarHBondContact CE1-CZ2 3.35Å; H403-W445 AromaticContact CG-CD1 3.99Å; H403-W445 AromaticContact CG-CD2 3.87Å; H403-W445 AromaticContact CG-CE2 3.41Å; H403-W445 VanDerWaalsContact CG-CE2 3.41Å; H403-W445 AromaticContact CG-CZ2 3.71Å; H403-W445 AromaticContact CG-NE1 3.44Å; H403-W445 AromaticContact ND1-CE2 3.59Å; H403-W445 AromaticContact ND1-CH2 3.68Å; H403-W445 AromaticContact ND1-CZ2 3.39Å; H403-W445 WeakPolarHBondContact ND1-CZ2 3.47Å; H403-W445 AromaticContact NE2-CE2 3.52Å; H403-W445 AromaticContact NE2-CZ2 3.26Å; H403-W445 VanDerWaalsContact NE2-CZ2 3.26Å; H403-W445 WeakPolarHBondContact NE2-CZ2 3.29Å; H403-W445 AromaticContact NE2-NE1 3.5Å; D443-W445 HydrophobicContact CB-CE3 4.05Å; D443-W445 PolarHBondContact O-N 3.19Å; D443-W445 WeakPolarHBondContact OD1-CB 3.39Å; D443-W445 PolarHBondContact OD1-N 2.82Å; D443-W445 VanDerWaalsContact OD1-N 3.16Å; W445-I447 VanDerWaalsContact C-N 3.33Å; W445-F448 WeakPolarHBondContact O-CE2 3.19Å; W445-Y489 AromaticContact CD1-CE2 3.97Å; W445-Y489 AromaticContact CE2-CE2 3.94Å; W445-Y489 HydrophobicContact CZ2-CE2 4.35Å; W445-Y489 AromaticContact NE1-CE2 3.41Å; W445-K492 HydrophobicContact CH2-CB 4.38Å; W445-R493 HydrophobicContact CD2-CG 4.06Å; W445-R493 HydrophobicContact CE3-CG 3.75Å; W445-R493 HydrophobicContact CH2-CG 4.06Å; W445-R493 HydrophobicContact CZ2-CG 4.32Å; W445-R493 HydrophobicContact CZ3-CG 3.76Å; W445-F496 HydrophobicContact CH2-CE2 4.37Å; W445-F496 HydrophobicContact CZ3-CD2 4.25Å; W445-F496 AromaticContact CZ3-CE2 3.68Å; W445-F496 HydrophobicContact CZ3-CE2 3.68Å; W445-F496 HydrophobicContact CZ3-CZ 4.15Å
446	N	92	Very high	91.2	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.113	C	C	.	.	S	Bend	trans	-89.2	3.4	176.9	-70.3	-30.3	0	0	0	113.4	L441 D443 A458 N459 R493	L441-N446 PolarHBondContact O-ND2 3.06Å; D443-N446 PolarHBondContact O-N 3.16Å; D443-N446 WeakPolarHBondContact OD1-CB 3.41Å; D443-N446 PolarHBondContact OD1-N 3.03Å; D443-N446 PolarHBondContact OD1-ND2 3.18Å; N446-A458 PolarHBondContact O-N 3.08Å; N446-N459 HydrophobicContact CB-CB 4.44Å; N446-R493 PolarHBondContact ND2-NH2 2.98Å; N446-R493 PolarHBondContact OD1-NH2 3.26Å
447	I	94.9	Very high	91.4	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	131.4	175	-62.9	161.9	0	0	0	108.2	S401 L402 V425 L442 W445 A455 K456 I457 I521	S401-I447 CarbonylContact C-O 3.47Å; S401-I447 WeakPolarHBondContact CA-O 3.41Å; L402-I447 HydrophobicContact CB-CB 4.01Å; L402-I447 HydrophobicContact CB-CG2 3.9Å; L402-I447 HydrophobicContact CD2-CB 4.34Å; L402-I447 HydrophobicContact CD2-CD1 4.34Å; L402-I447 HydrophobicContact CD2-CG2 3.94Å; L402-I447 PolarHBondContact N-O 3.44Å; V425-I447 HydrophobicContact CB-CD1 4.48Å; V425-I447 HydrophobicContact CG1-CD1 3.78Å; V425-I447 HydrophobicContact CG2-CD1 3.76Å; V425-I447 HydrophobicContact CG2-CG1 4.45Å; V425-I447 HydrophobicContact CG2-CG2 4.01Å; L442-I447 HydrophobicContact CD1-CD1 4.47Å; L442-I447 HydrophobicContact CD1-CG1 4.44Å; W445-I447 VanDerWaalsContact C-N 3.33Å; I447-A455 HydrophobicContact CG2-CB 3.86Å; I447-K456 WeakPolarHBondContact CA-O 3.4Å; I447-I457 HydrophobicContact CG1-CG1 4.33Å; I447-I521 HydrophobicContact CD1-CD1 3.71Å; I447-I521 HydrophobicContact CD1-CG1 4.36Å; I447-I521 HydrophobicContact CD1-CG2 4.22Å
448	F	93.3	Very high	91.4	Very high	13 Å²	13	19.7 Å²	19.7	6%	0.057	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	144.9	-176.3	-73.3	-98	0	0	0	111	A334 L345 F347 P397 G400 W445 K456 A458	A334-F448 HydrophobicContact CB-CE1 4.47Å; A334-F448 HydrophobicContact CB-CE2 4.48Å; A334-F448 HydrophobicContact CB-CZ 3.66Å; L345-F448 HydrophobicContact CD1-CD1 3.7Å; L345-F448 HydrophobicContact CD1-CD2 3.86Å; L345-F448 HydrophobicContact CD1-CE1 3.77Å; L345-F448 HydrophobicContact CD1-CE2 3.94Å; L345-F448 HydrophobicContact CD1-CG 3.76Å; L345-F448 HydrophobicContact CD1-CZ 3.89Å; L345-F448 HydrophobicContact CD2-CD1 4.31Å; L345-F448 HydrophobicContact CD2-CE1 3.76Å; L345-F448 HydrophobicContact CD2-CZ 4.13Å; L345-F448 HydrophobicContact CG-CE1 4.44Å; F347-F448 HydrophobicContact CE1-CE2 4.49Å; F347-F448 AromaticContact CZ-CE2 3.83Å; F347-F448 HydrophobicContact CZ-CE2 3.83Å; F347-F448 HydrophobicContact CZ-CZ 4.23Å; P397-F448 HydrophobicContact CB-CB 4.09Å; P397-F448 HydrophobicContact CG-CB 3.62Å; G400-F448 WeakPolarHBondContact O-CA 3.39Å; G400-F448 WeakPolarHBondContact O-CD1 3.46Å; W445-F448 WeakPolarHBondContact O-CE2 3.19Å; F448-K456 PolarHBondContact N-O 2.7Å; F448-K456 PolarHBondContact O-N 3.26Å; F448-A458 HydrophobicContact CD2-CB 3.87Å; F448-A458 HydrophobicContact CE2-CB 4.09Å
449	L	90.8	Very high	91.2	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	134.8	176.8	-58.8	-175.7	0	0	0	110.2	P397 R399 G400 L402 T405 L421 W453 A455	P397-L449 WeakPolarHBondContact CB-O 3.13Å; R399-L449 HydrophobicContact CB-CB 4.06Å; R399-L449 WeakPolarHBondContact CB-O 3.26Å; R399-L449 PolarHBondContact N-O 3.21Å; R399-L449 VanDerWaalsContact N-O 3.09Å; G400-L449 PolarHBondContact O-N 3.45Å; G400-L449 VanDerWaalsContact O-N 3.13Å; L402-L449 HydrophobicContact CD1-CD2 4.41Å; T405-L449 HydrophobicContact CG2-CD1 3.82Å; T405-L449 WeakPolarHBondContact OG1-CD1 3.36Å; L421-L449 HydrophobicContact CD2-CD2 3.74Å; L449-W453 HydrophobicContact CD1-CE3 3.69Å; L449-W453 HydrophobicContact CD1-CZ3 4Å; L449-A455 HydrophobicContact CD2-CB 3.78Å
450	D	90.1	Very high	91.1	Very high	16 Å²	16	18.9 Å²	18.9	9%	0.086	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	178.5	170.7	81.7	7.5	0	0	0	112.7	P397 R399 N452 W453 T454 K456	P397-D450 HydrophobicContact CB-CB 3.88Å; P397-D450 WeakPolarHBondContact O-CA 3.27Å; R399-D450 VanDerWaalsContact CD-O 3.28Å; R399-D450 WeakPolarHBondContact CD-O 3.37Å; R399-D450 PolarHBondContact NE-O 3.04Å; D450-N452 PolarHBondContact O-N 2.97Å; D450-N452 VanDerWaalsContact O-N 3.11Å; D450-N452 WeakPolarHBondContact OD1-CA 3.29Å; D450-N452 WeakPolarHBondContact OD1-CB 3.27Å; D450-N452 PolarHBondContact OD1-N 2.85Å; D450-W453 PolarHBondContact O-N 3.47Å; D450-W453 PolarHBondContact OD1-N 3.44Å; D450-T454 PolarHBondContact N-O 2.97Å; D450-T454 VanDerWaalsContact N-O 3.08Å; D450-T454 PolarHBondContact OD1-N 3.03Å; D450-T454 VanDerWaalsContact OD1-N 3.09Å; D450-K456 WeakPolarHBondContact OD2-CE 3.39Å; D450-K456 IonicContact OD2-NZ 3.72Å; D450-K456 PolarHBondContact OD2-NZ 2.77Å
451	K	83.9	Confident	91.2	Very high	156 Å²	156	18.9 Å²	18.9	68%	0.678	9%	0.089	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-28.4	178.1	61.5	179.7	-177.9	178.3	0	114.2	R399 W453	R399-K451 PolarHBondContact NE-O 3.3Å; R399-K451 PolarHBondContact NH2-O 3.13Å; K451-W453 VanDerWaalsContact C-N 3.34Å
452	N	84.1	Confident	91	Very high	87 Å²	87	18.7 Å²	18.7	47%	0.465	9%	0.088	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93	8.8	179.3	-60.5	-20.4	0	0	0	112.4	D450 T454 I598	D450-N452 PolarHBondContact O-N 2.97Å; D450-N452 VanDerWaalsContact O-N 3.11Å; D450-N452 WeakPolarHBondContact OD1-CA 3.29Å; D450-N452 WeakPolarHBondContact OD1-CB 3.27Å; D450-N452 PolarHBondContact OD1-N 2.85Å; N452-T454 PolarHBondContact O-N 2.94Å; N452-I598 WeakPolarHBondContact O-CG2 3.5Å
453	W	84.6	Confident	90.6	Very high	17 Å²	17	19 Å²	19	6%	0.064	9%	0.089	C	C	.	.			trans	62.2	22.3	-174.5	-64.1	83.6	0	0	0	114.6	T405 Y411 L449 D450 K451 I598 L602	T405-W453 HydrophobicContact CG2-CH2 4.31Å; T405-W453 HydrophobicContact CG2-CZ3 3.65Å; Y411-W453 HydrophobicContact CD1-CH2 4.11Å; Y411-W453 HydrophobicContact CD2-CH2 4.47Å; Y411-W453 HydrophobicContact CE1-CH2 4.08Å; Y411-W453 HydrophobicContact CE1-CZ2 4.2Å; Y411-W453 HydrophobicContact CE2-CH2 4.45Å; Y411-W453 HydrophobicContact CG-CH2 4.31Å; L449-W453 HydrophobicContact CD1-CE3 3.69Å; L449-W453 HydrophobicContact CD1-CZ3 4Å; D450-W453 PolarHBondContact O-N 3.47Å; D450-W453 PolarHBondContact OD1-N 3.44Å; K451-W453 VanDerWaalsContact C-N 3.34Å; W453-I598 HydrophobicContact CB-CB 4.46Å; W453-I598 HydrophobicContact CB-CD1 3.78Å; W453-I598 HydrophobicContact CB-CG1 4.03Å; W453-I598 HydrophobicContact CB-CG2 3.59Å; W453-I598 HydrophobicContact CD2-CD1 4.43Å; W453-I598 HydrophobicContact CE3-CD1 4.24Å; W453-I598 HydrophobicContact CG-CD1 4.3Å; W453-I598 HydrophobicContact CG-CG1 4.38Å; W453-I598 HydrophobicContact CG-CG2 4.49Å; W453-L602 HydrophobicContact CD2-CD1 4.19Å; W453-L602 HydrophobicContact CG-CD1 4.41Å; W453-L602 HydrophobicContact CZ2-CD1 4.14Å
454	T	91.5	Very high	90.3	Very high	32 Å²	32	19.3 Å²	19.3	20%	0.196	9%	0.091	C	C	.	.			trans	-77.4	128.8	171.6	-58.1	0	0	0	0	109.5	N376 D424 D450 N452	N376-T454 WeakPolarHBondContact ND2-CG2 3.44Å; D424-T454 VanDerWaalsContact OD2-CA 3.32Å; D424-T454 WeakPolarHBondContact OD2-CA 3.5Å; D450-T454 PolarHBondContact N-O 2.97Å; D450-T454 VanDerWaalsContact N-O 3.08Å; D450-T454 PolarHBondContact OD1-N 3.03Å; D450-T454 VanDerWaalsContact OD1-N 3.09Å; N452-T454 PolarHBondContact O-N 2.94Å
455	A	94.5	Very high	89.9	Confident	0 Å²	0	19.4 Å²	19.4	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	130.2	177.4	0	0	0	0	0	111.4	N376 L421 D424 V425 I447 L449	N376-A455 WeakPolarHBondContact CA-O 3.4Å; N376-A455 PolarHBondContact ND2-O 2.73Å; L421-A455 HydrophobicContact CD2-CB 4.33Å; D424-A455 HydrophobicContact CB-CB 3.7Å; D424-A455 PolarHBondContact OD2-N 3.16Å; V425-A455 HydrophobicContact CG2-CB 4.02Å; I447-A455 HydrophobicContact CG2-CB 3.86Å; L449-A455 HydrophobicContact CD2-CB 3.78Å
456	K	95.6	Very high	89.4	Confident	42 Å²	42	18.3 Å²	18.3	18%	0.183	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	123.8	-177.9	-55.3	-164.4	-174	-175.5	0	111.4	P375 N376 P397 I447 F448 D450	P375-K456 WeakPolarHBondContact O-CD 3.31Å; P375-K456 WeakPolarHBondContact O-CE 3.49Å; P375-K456 WeakPolarHBondContact O-CG 3.49Å; N376-K456 WeakPolarHBondContact O-CA 3.47Å; P397-K456 HydrophobicContact CG-CB 4.41Å; P397-K456 HydrophobicContact CG-CD 4.44Å; I447-K456 WeakPolarHBondContact CA-O 3.4Å; F448-K456 PolarHBondContact N-O 2.7Å; F448-K456 PolarHBondContact O-N 3.26Å; D450-K456 WeakPolarHBondContact OD2-CE 3.39Å; D450-K456 IonicContact OD2-NZ 3.72Å; D450-K456 PolarHBondContact OD2-NZ 2.77Å
457	I	96	Very high	88.7	Confident	0 Å²	0	21.6 Å²	21.6	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	123.2	176.9	-55	177.4	0	0	0	109.3	N376 I377 A378 V425 I429 L432 H439 L442 I447	N376-I457 PolarHBondContact O-N 3.39Å; I377-I457 HydrophobicContact CD1-CB 3.83Å; I377-I457 HydrophobicContact CD1-CD1 4.24Å; I377-I457 HydrophobicContact CD1-CG1 4.35Å; A378-I457 PolarHBondContact N-O 3.39Å; V425-I457 HydrophobicContact CG1-CD1 4.34Å; I429-I457 HydrophobicContact CG1-CD1 3.79Å; L432-I457 HydrophobicContact CD1-CG2 4.32Å; H439-I457 WeakPolarHBondContact CD2-CG2 3.25Å; L442-I457 HydrophobicContact CD1-CD1 4.16Å; L442-I457 HydrophobicContact CD1-CG1 4.35Å; L442-I457 HydrophobicContact CD1-CG2 3.66Å; I447-I457 HydrophobicContact CG1-CG1 4.33Å
458	A	92.3	Very high	88	Confident	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.119	C	C	.	.			trans	-105.7	-174.2	173.5	0	0	0	0	0	110.7	F347 A378 H439 N446 F448 W460	F347-A458 HydrophobicContact CE2-CB 3.87Å; F347-A458 HydrophobicContact CZ-CB 3.8Å; A378-A458 HydrophobicContact CB-CB 3.88Å; H439-A458 PolarHBondContact CD2-O 3.28Å; H439-A458 PolarHBondContact NE2-O 3.15Å; N446-A458 PolarHBondContact O-N 3.08Å; F448-A458 HydrophobicContact CD2-CB 3.87Å; F448-A458 HydrophobicContact CE2-CB 4.09Å; A458-W460 PolarHBondContact O-N 3.43Å
459	N	89.1	Confident	87.4	Confident	0 Å²	0	25.6 Å²	25.6	0%	0	12%	0.12	C	C	.	.			trans	53.3	14.9	173	-155	18	0	0	0	118.1	F347 Y394 N446 S461	F347-N459 VanDerWaalsContact CB-OD1 3.3Å; F347-N459 WeakPolarHBondContact CB-OD1 3.49Å; F347-N459 HydrophobicContact CD1-CB 3.69Å; F347-N459 VanDerWaalsContact CD1-CG 3.44Å; F347-N459 WeakPolarHBondContact CD1-ND2 3.41Å; F347-N459 HydrophobicContact CD2-CB 4.04Å; F347-N459 HydrophobicContact CE1-CB 3.76Å; F347-N459 HydrophobicContact CE2-CB 4.13Å; F347-N459 HydrophobicContact CG-CB 3.82Å; F347-N459 HydrophobicContact CZ-CB 4Å; Y394-N459 WeakPolarHBondContact OH-CA 3.46Å; N446-N459 HydrophobicContact CB-CB 4.44Å; N459-S461 PolarHBondContact O-N 3.36Å
460	W	91.8	Very high	86.7	Confident	4 Å²	4	26.9 Å²	26.9	2%	0.015	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-18.5	179.4	55.6	-99.1	0	0	0	113.6	V369 A378 L380 Y394 L432 I437 H439 A458 H462	V369-W460 HydrophobicContact CB-CH2 3.65Å; V369-W460 HydrophobicContact CB-CZ3 3.87Å; V369-W460 HydrophobicContact CG1-CZ3 4.45Å; V369-W460 HydrophobicContact CG2-CH2 3.68Å; V369-W460 HydrophobicContact CG2-CZ3 3.82Å; A378-W460 PolarHBondContact O-NE1 2.66Å; L380-W460 HydrophobicContact CB-CH2 4.14Å; L380-W460 HydrophobicContact CB-CZ2 3.8Å; L380-W460 HydrophobicContact CD2-CH2 4.17Å; Y394-W460 AromaticContact CE1-CD1 3.95Å; Y394-W460 AromaticContact CE1-CE2 3.96Å; Y394-W460 HydrophobicContact CE1-CZ2 4.41Å; Y394-W460 AromaticContact CE1-NE1 3.5Å; Y394-W460 PolarHBondContact OH-N 3.18Å; L432-W460 HydrophobicContact CD1-CB 3.9Å; L432-W460 HydrophobicContact CD1-CG 4.35Å; L432-W460 HydrophobicContact CD2-CB 4.22Å; L432-W460 HydrophobicContact CD2-CD2 4.09Å; L432-W460 HydrophobicContact CD2-CE3 4.49Å; L432-W460 HydrophobicContact CD2-CG 3.96Å; I437-W460 HydrophobicContact CD1-CE3 4.17Å; I437-W460 HydrophobicContact CD1-CZ3 4Å; I437-W460 HydrophobicContact CG2-CE3 3.94Å; H439-W460 HydrophobicContact CB-CB 4.48Å; A458-W460 PolarHBondContact O-N 3.43Å; W460-H462 PolarHBondContact O-N 3.43Å
461	S	89.4	Confident	85.8	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-76.6	-16.9	-174.5	62	0	0	0	0	114.7	H392 Y394 N459 I465	H392-S461 PolarHBondContact ND1-OG 3.26Å; Y394-S461 WeakPolarHBondContact OH-CB 3.44Å; Y394-S461 PolarHBondContact OH-N 3.14Å; Y394-S461 PolarHBondContact OH-OG 3.04Å; N459-S461 PolarHBondContact O-N 3.36Å; S461-I465 WeakPolarHBondContact O-CG1 3.24Å; S461-I465 PolarHBondContact O-N 2.86Å; S461-I465 VanDerWaalsContact O-N 3.13Å
462	H	84.8	Confident	85.1	Confident	1 Å²	1	22.7 Å²	22.7	1%	0.005	11%	0.114	C	C	.	.	H	α-helix	trans	-64.8	-60.4	-173.8	-176.8	-165.7	0	0	0	111	S349 W460 F464 I465 C466 H474	S349-H462 VanDerWaalsContact CB-CD2 3.46Å; S349-H462 WeakPolarHBondContact CB-CD2 3.08Å; S349-H462 WeakPolarHBondContact CB-NE2 3.37Å; S349-H462 PolarHBondContact OG-CD2 3.46Å; S349-H462 PolarHBondContact OG-NE2 3.09Å; W460-H462 PolarHBondContact O-N 3.43Å; H462-F464 VanDerWaalsContact C-N 3.25Å; H462-F464 PolarHBondContact O-N 3.3Å; H462-I465 PolarHBondContact O-N 3.02Å; H462-C466 VanDerWaalsContact CD2-SG 3.57Å; H462-C466 PolarHBondContact O-N 3.25Å; H462-C466 VanDerWaalsContact O-N 3.1Å; H462-C466 PolarHBondContact O-SG 3.08Å; H462-H474 AromaticContact NE2-NE2 3.98Å
463	V	84.6	Confident	84.1	Confident	7 Å²	7	24.6 Å²	24.6	4%	0.042	12%	0.12	C	C	.	.	H	α-helix	trans	-59	-40.1	177.7	176.2	0	0	0	0	111	H439 L441 I465 C466 E467 L475 F509	H439-V463 WeakPolarHBondContact O-CG2 3.39Å; L441-V463 HydrophobicContact CD1-CG2 4.33Å; L441-V463 HydrophobicContact CG-CG2 4Å; V463-I465 VanDerWaalsContact C-N 3.32Å; V463-I465 PolarHBondContact O-N 3.25Å; V463-C466 PolarHBondContact O-N 3.43Å; V463-E467 WeakPolarHBondContact O-CB 3.47Å; V463-E467 PolarHBondContact O-N 2.79Å; V463-L475 HydrophobicContact CG2-CD1 4.3Å; V463-F509 HydrophobicContact CG1-CB 3.87Å; V463-F509 HydrophobicContact CG1-CD1 4.4Å; V463-F509 HydrophobicContact CG1-CD2 3.51Å; V463-F509 HydrophobicContact CG1-CE2 4.14Å; V463-F509 HydrophobicContact CG1-CG 3.67Å; V463-F509 HydrophobicContact CG2-CD2 4.49Å; V463-F509 HydrophobicContact CG2-CE2 4.39Å; V463-F509 HydrophobicContact CG2-CZ 4.43Å
464	F	86.7	Confident	82.9	Confident	8 Å²	8	25.6 Å²	25.6	4%	0.035	13%	0.125	C	C	.	.	H	α-helix	trans	-57.2	-38.6	178.4	177.5	-97.1	0	0	0	114.2	R365 V369 I437 H462	R365-F464 HydrophobicContact CB-CE1 3.89Å; R365-F464 HydrophobicContact CB-CZ 3.57Å; R365-F464 HydrophobicContact CG-CZ 4.13Å; R365-F464 VanDerWaalsContact NE-CE2 3.31Å; R365-F464 VanDerWaalsContact NH2-CE2 3.3Å; V369-F464 HydrophobicContact CB-CZ 4.39Å; V369-F464 HydrophobicContact CG1-CE1 4.02Å; V369-F464 HydrophobicContact CG1-CE2 3.97Å; V369-F464 HydrophobicContact CG1-CZ 3.43Å; V369-F464 VanDerWaalsContact CG1-CZ 3.43Å; V369-F464 HydrophobicContact CG2-CD1 4.49Å; V369-F464 HydrophobicContact CG2-CE1 3.77Å; V369-F464 HydrophobicContact CG2-CZ 4.07Å; I437-F464 HydrophobicContact CB-CD2 4.41Å; I437-F464 HydrophobicContact CD1-CE2 4.37Å; I437-F464 HydrophobicContact CG1-CD2 3.91Å; I437-F464 HydrophobicContact CG1-CE2 3.86Å; I437-F464 HydrophobicContact CG2-CB 4.39Å; I437-F464 HydrophobicContact CG2-CD2 4.08Å; H462-F464 VanDerWaalsContact C-N 3.25Å; H462-F464 PolarHBondContact O-N 3.3Å
465	I	85.7	Confident	81.5	Confident	1 Å²	1	24.2 Å²	24.2	1%	0.005	12%	0.116	C	C	.	.	H	α-helix	trans	-77.6	-49.9	176.9	-65.8	-179.7	0	0	0	110.2	F358 T362 L366 L383 H392 S461 H462 V463 E467 K468 E469	F358-I465 HydrophobicContact CE1-CG2 4.32Å; F358-I465 HydrophobicContact CE2-CD1 4.27Å; F358-I465 HydrophobicContact CE2-CG2 3.85Å; F358-I465 HydrophobicContact CZ-CG2 3.68Å; T362-I465 HydrophobicContact CG2-CG2 4.26Å; L366-I465 HydrophobicContact CD1-CD1 4.08Å; L366-I465 HydrophobicContact CD1-CG1 4.33Å; L366-I465 HydrophobicContact CD2-CD1 3.78Å; L366-I465 HydrophobicContact CD2-CG1 4.01Å; L366-I465 HydrophobicContact CG-CD1 4.38Å; L366-I465 HydrophobicContact CG-CG1 4.36Å; L383-I465 HydrophobicContact CD1-CD1 3.61Å; L383-I465 HydrophobicContact CD2-CD1 4.09Å; L383-I465 HydrophobicContact CG-CD1 4.49Å; H392-I465 VanDerWaalsContact CE1-CD1 3.43Å; H392-I465 WeakPolarHBondContact CE1-CD1 3.34Å; S461-I465 WeakPolarHBondContact O-CG1 3.24Å; S461-I465 PolarHBondContact O-N 2.86Å; S461-I465 VanDerWaalsContact O-N 3.13Å; H462-I465 PolarHBondContact O-N 3.02Å; V463-I465 VanDerWaalsContact C-N 3.32Å; V463-I465 PolarHBondContact O-N 3.25Å; I465-E467 PolarHBondContact O-N 3.39Å; I465-K468 PolarHBondContact O-N 3.17Å; I465-E469 HydrophobicContact CG2-CG 4.18Å; I465-E469 PolarHBondContact O-N 3.06Å; I465-E469 VanDerWaalsContact O-N 3.14Å
466	C	80.7	Confident	79.8	Confident	0 Å²	0	25.8 Å²	25.8	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-58	-34	-177.9	-66.8	0	0	0	0	112.3	H462 V463 K468 G470 E471 L475	H462-C466 VanDerWaalsContact CD2-SG 3.57Å; H462-C466 PolarHBondContact O-N 3.25Å; H462-C466 VanDerWaalsContact O-N 3.1Å; H462-C466 PolarHBondContact O-SG 3.08Å; V463-C466 PolarHBondContact O-N 3.43Å; C466-K468 VanDerWaalsContact C-N 3.3Å; C466-K468 PolarHBondContact O-N 2.92Å; C466-G470 PolarHBondContact O-N 3.42Å; C466-E471 PolarHBondContact O-N 2.99Å; C466-L475 HydrophobicContact CB-CD1 4.04Å
467	E	79.4	Confident	78.1	Confident	69 Å²	69	27.2 Å²	27.2	32%	0.322	13%	0.133	S	C	.	.	H	α-helix	trans	-56.5	-39.5	176.2	-166	-161	-167.2	0	0	113.6	R365 V463 I465 Y472	R365-E467 IonicContact CZ-OE2 3.2Å; R365-E467 IonicContact NH1-OE2 2.86Å; R365-E467 PolarHBondContact NH1-OE2 3.36Å; R365-E467 IonicContact NH2-OE2 3.35Å; R365-E467 PolarHBondContact NH2-OE2 3.38Å; V463-E467 WeakPolarHBondContact O-CB 3.47Å; V463-E467 PolarHBondContact O-N 2.79Å; I465-E467 PolarHBondContact O-N 3.39Å; E467-Y472 HydrophobicContact CB-CD1 4.46Å; E467-Y472 HydrophobicContact CB-CE1 4.48Å; E467-Y472 HydrophobicContact CG-CE1 4.31Å; E467-Y472 VanDerWaalsContact O-CE1 3.24Å; E467-Y472 WeakPolarHBondContact O-CE1 3.5Å
468	K	78.7	Confident	76.5	Confident	81 Å²	81	27.5 Å²	27.5	35%	0.352	14%	0.135	S	C	.	.	H	α-helix	trans	-93.6	-28.3	-175.7	-69.2	-69.1	174.1	-171.4	0	113.7	T362 I465 C466 G470	T362-K468 WeakPolarHBondContact OG1-CB 3.39Å; I465-K468 PolarHBondContact O-N 3.17Å; C466-K468 VanDerWaalsContact C-N 3.3Å; C466-K468 PolarHBondContact O-N 2.92Å; K468-G470 PolarHBondContact O-N 3.24Å
469	E	81.4	Confident	74.9	Confident	17 Å²	17	29.8 Å²	29.8	8%	0.079	15%	0.151	C	C	.	.	H	α-helix	trans	-77.9	-8.5	173.2	-62.7	-61.5	133.5	0	0	111.9	N353 F358 Q359 T362 I465 E471	N353-E469 PolarHBondContact ND2-OE2 2.93Å; N353-E469 VanDerWaalsContact ND2-OE2 3.09Å; F358-E469 HydrophobicContact CD1-CG 3.92Å; F358-E469 HydrophobicContact CE1-CG 4.11Å; F358-E469 HydrophobicContact CG-CG 4.5Å; Q359-E469 PolarHBondContact N-OE1 2.87Å; T362-E469 WeakPolarHBondContact CB-OE1 3.28Å; T362-E469 HydrophobicContact CG2-CG 4.16Å; T362-E469 WeakPolarHBondContact CG2-OE1 3.47Å; T362-E469 PolarHBondContact OG1-OE1 3.31Å; I465-E469 HydrophobicContact CG2-CG 4.18Å; I465-E469 PolarHBondContact O-N 3.06Å; I465-E469 VanDerWaalsContact O-N 3.14Å; E469-E471 VanDerWaalsContact C-N 3.28Å; E469-E471 HydrophobicContact CB-CG 4.18Å
470	G	75	Confident	73.8	Confident	27 Å²	27	34.7 Å²	34.7	28%	0.278	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.2	19.1	178.5	0	0	0	0	0	113.2	C466 K468	C466-G470 PolarHBondContact O-N 3.42Å; K468-G470 PolarHBondContact O-N 3.24Å
471	E	72	Confident	72.5	Confident	24 Å²	24	34.9 Å²	34.9	11%	0.112	18%	0.175	C	C	.	.			trans	-101.1	17.9	-170.1	-65.7	-168.1	166.6	0	0	113.3	C351 L352 N353 C466 E469 H473 H474	C351-E471 VanDerWaalsContact C-OE2 3.31Å; C351-E471 WeakPolarHBondContact CA-OE2 3.44Å; C351-E471 PolarHBondContact SG-OE2 3.19Å; L352-E471 PolarHBondContact N-OE2 3.34Å; N353-E471 WeakPolarHBondContact CB-OE1 3.36Å; N353-E471 PolarHBondContact N-OE1 3.17Å; N353-E471 PolarHBondContact ND2-OE1 2.75Å; N353-E471 PolarHBondContact OD1-OE1 3.42Å; C466-E471 PolarHBondContact O-N 2.99Å; E469-E471 VanDerWaalsContact C-N 3.28Å; E469-E471 HydrophobicContact CB-CG 4.18Å; E471-H473 PolarHBondContact O-N 3.3Å; E471-H473 VanDerWaalsContact O-N 3.11Å; E471-H474 PolarHBondContact O-CE1 3.18Å; E471-H474 PolarHBondContact O-ND1 3.14Å
472	Y	68.7	Low	71.7	Confident	59 Å²	59	35.7 Å²	35.7	23%	0.231	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-0.2	-179.6	27.4	-123.4	0	0	0	115.9	E467 H474 L475 K476	E467-Y472 HydrophobicContact CB-CD1 4.46Å; E467-Y472 HydrophobicContact CB-CE1 4.48Å; E467-Y472 HydrophobicContact CG-CE1 4.31Å; E467-Y472 VanDerWaalsContact O-CE1 3.24Å; E467-Y472 WeakPolarHBondContact O-CE1 3.5Å; Y472-H474 VanDerWaalsContact C-N 3.33Å; Y472-H474 PolarHBondContact O-N 3.25Å; Y472-L475 PolarHBondContact O-N 3.42Å; Y472-K476 WeakPolarHBondContact O-CG 3.41Å; Y472-K476 PolarHBondContact O-N 3.14Å; Y472-K476 VanDerWaalsContact O-N 3.16Å
473	H	63	Low	71.2	Confident	128 Å²	128	42.8 Å²	42.8	59%	0.593	21%	0.212	S	C	*	.	H	α-helix	trans	-55.1	-47.5	-175.7	-71.2	-73.9	0	0	0	112.2	E471 L475 K476 D477	E471-H473 PolarHBondContact O-N 3.3Å; E471-H473 VanDerWaalsContact O-N 3.11Å; H473-L475 VanDerWaalsContact C-N 3.26Å; H473-L475 PolarHBondContact O-N 2.9Å; H473-K476 PolarHBondContact O-N 3.35Å; H473-K476 VanDerWaalsContact O-N 3.07Å; H473-D477 PolarHBondContact O-N 3.45Å
474	H	60.6	Low	70.6	Confident	37 Å²	37	46 Å²	46	17%	0.171	23%	0.229	C	C	.	.	H	α-helix	trans	-66.3	-23.9	177.8	62.7	-88.2	0	0	0	114.2	E350 H462 E471 Y472	E350-H474 WeakPolarHBondContact OE2-CB 3.29Å; E350-H474 IonicContact OE2-CD2 2.71Å; E350-H474 PolarHBondContact OE2-CD2 2.97Å; E350-H474 IonicContact OE2-CG 3.14Å; E350-H474 VanDerWaalsContact OE2-CG 3.23Å; H462-H474 AromaticContact NE2-NE2 3.98Å; E471-H474 PolarHBondContact O-CE1 3.18Å; E471-H474 PolarHBondContact O-ND1 3.14Å; Y472-H474 VanDerWaalsContact C-N 3.33Å; Y472-H474 PolarHBondContact O-N 3.25Å
475	L	62.1	Low	70	Confident	4 Å²	4	46 Å²	46	2%	0.021	23%	0.23	C	C	.	.	H	α-helix	trans	-82.5	-14.9	175.9	-65.5	172.6	0	0	0	112.8	L441 V463 C466 Y472 H473 C478 F509	L441-L475 HydrophobicContact CD1-CD2 4.39Å; V463-L475 HydrophobicContact CG2-CD1 4.3Å; C466-L475 HydrophobicContact CB-CD1 4.04Å; Y472-L475 PolarHBondContact O-N 3.42Å; H473-L475 VanDerWaalsContact C-N 3.26Å; H473-L475 PolarHBondContact O-N 2.9Å; L475-C478 PolarHBondContact O-SG 3.38Å; L475-F509 HydrophobicContact CB-CE2 3.95Å; L475-F509 HydrophobicContact CB-CZ 3.99Å; L475-F509 HydrophobicContact CD1-CE2 4.25Å
476	K	58.5	Low	69.5	Low	32 Å²	32	51.4 Å²	51.4	14%	0.139	27%	0.267	C	S	.	.	H	α-helix	trans	-92.5	-22.5	-179.5	-71.6	169.6	179.5	172.6	0	112.7	Y472 H473 C478 G504 V506 T507	Y472-K476 WeakPolarHBondContact O-CG 3.41Å; Y472-K476 PolarHBondContact O-N 3.14Å; Y472-K476 VanDerWaalsContact O-N 3.16Å; H473-K476 PolarHBondContact O-N 3.35Å; H473-K476 VanDerWaalsContact O-N 3.07Å; K476-C478 PolarHBondContact O-N 2.78Å; K476-G504 VanDerWaalsContact O-CA 3.28Å; K476-G504 WeakPolarHBondContact O-CA 3.39Å; K476-V506 WeakPolarHBondContact CD-O 3.39Å; K476-V506 VanDerWaalsContact CE-O 3.26Å; K476-V506 WeakPolarHBondContact CE-O 3.41Å; K476-T507 VanDerWaalsContact CE-C 3.46Å; K476-T507 WeakPolarHBondContact CE-O 3.4Å; K476-T507 VanDerWaalsContact NZ-C 3.35Å; K476-T507 PolarHBondContact NZ-O 2.88Å
477	D	59.4	Low	69.4	Low	73 Å²	73	54.4 Å²	54.4	39%	0.39	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	30.3	178.7	-66.3	-29.5	0	0	0	112.7	H473 S479 E480 M481	H473-D477 PolarHBondContact O-N 3.45Å; D477-S479 PolarHBondContact O-N 2.81Å; D477-S479 VanDerWaalsContact O-N 3.12Å; D477-E480 HydrophobicContact CB-CB 4.36Å; D477-E480 HydrophobicContact CB-CG 4.44Å; D477-E480 WeakPolarHBondContact O-CB 3.11Å; D477-E480 PolarHBondContact O-N 3.17Å; D477-M481 WeakPolarHBondContact O-CG 3.27Å; D477-M481 PolarHBondContact O-N 3.31Å
478	C	62.3	Low	69.6	Low	6 Å²	6	56.3 Å²	56.3	4%	0.041	29%	0.292	C	S	.	.	H	α-helix	trans	-58.4	-24.3	174.3	-69.7	0	0	0	0	112.9	L475 K476 M481 I482 L501 L502	L475-C478 PolarHBondContact O-SG 3.38Å; K476-C478 PolarHBondContact O-N 2.78Å; C478-M481 HydrophobicContact CB-SD 4.2Å; C478-M481 WeakPolarHBondContact O-CB 3.42Å; C478-M481 PolarHBondContact O-N 2.95Å; C478-I482 PolarHBondContact O-N 2.91Å; C478-L501 WeakPolarHBondContact CB-O 3.34Å; C478-L502 HydrophobicContact CB-CD2 4.16Å
479	S	60	Low	69.8	Low	47 Å²	47	55.8 Å²	55.8	33%	0.329	29%	0.289	S	S	.	.	H	α-helix	trans	-65.4	-44.6	172	55.4	0	0	0	0	111.7	D477 M481 I482 L502	D477-S479 PolarHBondContact O-N 2.81Å; D477-S479 VanDerWaalsContact O-N 3.12Å; S479-M481 PolarHBondContact O-N 3.47Å; S479-I482 PolarHBondContact O-N 3.46Å; S479-L502 WeakPolarHBondContact CA-O 3.44Å; S479-L502 WeakPolarHBondContact CB-O 3.41Å; S479-L502 PolarHBondContact N-O 3.01Å; S479-L502 VanDerWaalsContact N-O 3.12Å
480	E	64.6	Low	69.7	Low	104 Å²	104	56.2 Å²	56.2	49%	0.486	29%	0.291	S	S	.	.	H	α-helix	trans	-65.3	-31.8	173.6	-65.1	-167.7	166.9	0	0	110.7	D477 I482 E483 N484	D477-E480 HydrophobicContact CB-CB 4.36Å; D477-E480 HydrophobicContact CB-CG 4.44Å; D477-E480 WeakPolarHBondContact O-CB 3.11Å; D477-E480 PolarHBondContact O-N 3.17Å; E480-I482 VanDerWaalsContact C-N 3.33Å; E480-I482 PolarHBondContact O-N 3.34Å; E480-E483 PolarHBondContact O-N 3.13Å; E480-E483 VanDerWaalsContact O-N 3.16Å; E480-N484 VanDerWaalsContact O-CB 3.29Å; E480-N484 WeakPolarHBondContact O-CB 3.2Å; E480-N484 PolarHBondContact O-N 3.34Å; E480-N484 PolarHBondContact O-ND2 2.89Å; E480-N484 VanDerWaalsContact O-ND2 3.16Å
481	M	65.6	Low	70.3	Confident	8 Å²	8	55.8 Å²	55.8	4%	0.039	28%	0.281	C	S	.	.	H	α-helix	trans	-62.4	-36.6	175.6	-60.4	174	67.8	0	0	113	Y328 D477 C478 S479 E483 N484 V485 L494	Y328-M481 HydrophobicContact CD1-CE 4.28Å; Y328-M481 HydrophobicContact CE1-CE 3.12Å; Y328-M481 HydrophobicContact CE1-SD 4.34Å; Y328-M481 HydrophobicContact CE2-CE 4.3Å; Y328-M481 WeakPolarHBondContact OH-CE 3.5Å; Y328-M481 PolarHBondContact OH-SD 3.22Å; D477-M481 WeakPolarHBondContact O-CG 3.27Å; D477-M481 PolarHBondContact O-N 3.31Å; C478-M481 HydrophobicContact CB-SD 4.2Å; C478-M481 WeakPolarHBondContact O-CB 3.42Å; C478-M481 PolarHBondContact O-N 2.95Å; S479-M481 PolarHBondContact O-N 3.47Å; M481-E483 PolarHBondContact O-N 3.41Å; M481-N484 PolarHBondContact O-N 2.85Å; M481-V485 HydrophobicContact CB-CG2 4.17Å; M481-V485 WeakPolarHBondContact O-CB 3.35Å; M481-V485 WeakPolarHBondContact O-CG2 3.48Å; M481-V485 PolarHBondContact O-N 3.24Å; M481-L494 HydrophobicContact CB-CD1 4.29Å; M481-L494 HydrophobicContact CE-CD2 3.95Å; M481-L494 HydrophobicContact SD-CD2 4.41Å
482	I	73	Confident	71.2	Confident	17 Å²	17	57 Å²	57	9%	0.087	29%	0.286	C	S	.	.	H	α-helix	trans	-62	-36	176.5	-63.7	171.7	0	0	0	110.6	C478 S479 E480 L502 L545 V549	C478-I482 PolarHBondContact O-N 2.91Å; S479-I482 PolarHBondContact O-N 3.46Å; E480-I482 VanDerWaalsContact C-N 3.33Å; E480-I482 PolarHBondContact O-N 3.34Å; I482-L502 HydrophobicContact CD1-CB 4.18Å; I482-L502 HydrophobicContact CD1-CD2 4.34Å; I482-L545 HydrophobicContact CD1-CB 4.37Å; I482-L545 HydrophobicContact CG1-CB 4.45Å; I482-L545 HydrophobicContact CG1-CD1 4.42Å; I482-L545 HydrophobicContact CG2-CB 4.29Å; I482-V549 HydrophobicContact CD1-CG2 3.87Å
483	E	72.9	Confident	72.1	Confident	150 Å²	150	54.6 Å²	54.6	70%	0.701	28%	0.277	S	S	*	.	H	α-helix	trans	-76.2	-39.2	177.9	-65.6	-171.1	171.8	0	0	112.4	E480 M481	E480-E483 PolarHBondContact O-N 3.13Å; E480-E483 VanDerWaalsContact O-N 3.16Å; M481-E483 PolarHBondContact O-N 3.41Å
484	N	71.9	Confident	73.3	Confident	73 Å²	73	48.9 Å²	48.9	39%	0.39	25%	0.25	S	S	.	.	H	α-helix	trans	-90.3	-21.5	-170.7	-66.9	-29	0	0	0	114.6	F323 E480 M481 S486	F323-N484 HydrophobicContact CD1-CB 3.92Å; F323-N484 HydrophobicContact CE1-CB 3.8Å; F323-N484 HydrophobicContact CG-CB 4.47Å; F323-N484 HydrophobicContact CZ-CB 4.27Å; E480-N484 VanDerWaalsContact O-CB 3.29Å; E480-N484 WeakPolarHBondContact O-CB 3.2Å; E480-N484 PolarHBondContact O-N 3.34Å; E480-N484 PolarHBondContact O-ND2 2.89Å; E480-N484 VanDerWaalsContact O-ND2 3.16Å; M481-N484 PolarHBondContact O-N 2.85Å; N484-S486 PolarHBondContact O-N 3.26Å
485	V	74.2	Confident	74.8	Confident	10 Å²	10	47.1 Å²	47.1	6%	0.061	24%	0.242	C	C	.	.			trans	-86.6	111.8	-179.7	176	0	0	0	0	110.1	M481 H490 Q491	M481-V485 HydrophobicContact CB-CG2 4.17Å; M481-V485 WeakPolarHBondContact O-CB 3.35Å; M481-V485 WeakPolarHBondContact O-CG2 3.48Å; M481-V485 PolarHBondContact O-N 3.24Å; V485-H490 HydrophobicContact CG1-CB 3.43Å; V485-H490 VanDerWaalsContact CG1-CB 3.43Å; V485-Q491 HydrophobicContact CG1-CG 3.97Å; V485-Q491 PolarHBondContact O-NE2 3.22Å
486	S	74.8	Confident	76.3	Confident	113 Å²	113	46.9 Å²	46.9	79%	0.79	24%	0.241	S	C	*	.			trans	-95.9	-18.6	179.1	57.6	0	0	0	0	114.2	N484	N484-S486 PolarHBondContact O-N 3.26Å
487	D	80.3	Confident	77.8	Confident	63 Å²	63	45.6 Å²	45.6	34%	0.337	24%	0.236	S	C	.	.	S	Bend	trans	-87.9	139.5	-177.3	75.1	-88.4	0	0	0	112.8	Y489 H490 Q491	D487-Y489 VanDerWaalsContact C-N 3.26Å; D487-Y489 PolarHBondContact O-N 2.92Å; D487-Y489 WeakPolarHBondContact OD2-CB 3.22Å; D487-Y489 PolarHBondContact OD2-N 3.32Å; D487-H490 IonicContact OD1-CE1 2.85Å; D487-H490 IonicContact OD1-CG 3.17Å; D487-H490 IonicContact OD1-ND1 3.64Å; D487-H490 PolarHBondContact OD1-ND1 3.12Å; D487-H490 IonicContact OD2-CE1 2.99Å; D487-H490 IonicContact OD2-CG 3.97Å; D487-H490 PolarHBondContact OD2-N 3.16Å; D487-H490 IonicContact OD2-ND1 2.87Å; D487-H490 PolarHBondContact OD2-ND1 3.46Å; D487-Q491 WeakPolarHBondContact O-CG 3.43Å; D487-Q491 PolarHBondContact O-N 3.44Å
488	E	83.7	Confident	79.2	Confident	109 Å²	109	42.7 Å²	42.7	51%	0.509	22%	0.22	S	C	.	.	H	α-helix	trans	-62.8	-31.3	-178.6	-71.4	-164	166.7	0	0	113.3	Q491 K492	E488-Q491 PolarHBondContact O-N 2.82Å; E488-K492 WeakPolarHBondContact O-CB 3.37Å; E488-K492 WeakPolarHBondContact O-CG 3.48Å; E488-K492 PolarHBondContact O-N 3.45Å; E488-K492 IonicContact OE2-NZ 3.23Å; E488-K492 PolarHBondContact OE2-NZ 3.07Å
489	Y	82.5	Confident	80.4	Confident	71 Å²	71	45.7 Å²	45.7	28%	0.278	23%	0.23	S	C	.	.	H	α-helix	trans	-62.3	-49.2	-176.1	168.5	-92.8	0	0	0	110.9	W445 D487 K492 R493	W445-Y489 AromaticContact CD1-CE2 3.97Å; W445-Y489 AromaticContact CE2-CE2 3.94Å; W445-Y489 HydrophobicContact CZ2-CE2 4.35Å; W445-Y489 AromaticContact NE1-CE2 3.41Å; D487-Y489 VanDerWaalsContact C-N 3.26Å; D487-Y489 PolarHBondContact O-N 2.92Å; D487-Y489 WeakPolarHBondContact OD2-CB 3.22Å; D487-Y489 PolarHBondContact OD2-N 3.32Å; Y489-K492 PolarHBondContact O-N 3Å; Y489-R493 PolarHBondContact O-N 3.27Å; Y489-R493 PolarHBondContact OH-NH1 3.26Å
490	H	79.5	Confident	81.7	Confident	26 Å²	26	44.5 Å²	44.5	12%	0.12	22%	0.222	C	C	.	.	H	α-helix	trans	-71.5	-35.6	177.1	-68.1	99.6	0	0	0	112	V485 D487 K492 R493 L494	V485-H490 HydrophobicContact CG1-CB 3.43Å; V485-H490 VanDerWaalsContact CG1-CB 3.43Å; D487-H490 IonicContact OD1-CE1 2.85Å; D487-H490 IonicContact OD1-CG 3.17Å; D487-H490 IonicContact OD1-ND1 3.64Å; D487-H490 PolarHBondContact OD1-ND1 3.12Å; D487-H490 IonicContact OD2-CE1 2.99Å; D487-H490 IonicContact OD2-CG 3.97Å; D487-H490 PolarHBondContact OD2-N 3.16Å; D487-H490 IonicContact OD2-ND1 2.87Å; D487-H490 PolarHBondContact OD2-ND1 3.46Å; H490-K492 VanDerWaalsContact C-N 3.32Å; H490-K492 PolarHBondContact O-N 3.43Å; H490-R493 PolarHBondContact O-N 3Å; H490-R493 VanDerWaalsContact O-N 3.12Å; H490-L494 WeakPolarHBondContact O-CG 3.37Å; H490-L494 PolarHBondContact O-N 3.27Å
491	Q	86.6	Confident	82.7	Confident	17 Å²	17	39.9 Å²	39.9	8%	0.079	20%	0.2	C	C	.	.	H	α-helix	trans	-59	-43.5	173.8	-69.2	172.1	4.9	0	0	111.5	V485 D487 E488 R493 L494 I495 W541 L545	V485-Q491 HydrophobicContact CG1-CG 3.97Å; V485-Q491 PolarHBondContact O-NE2 3.22Å; D487-Q491 WeakPolarHBondContact O-CG 3.43Å; D487-Q491 PolarHBondContact O-N 3.44Å; E488-Q491 PolarHBondContact O-N 2.82Å; Q491-R493 VanDerWaalsContact C-N 3.32Å; Q491-R493 PolarHBondContact O-N 3.17Å; Q491-L494 PolarHBondContact O-N 2.63Å; Q491-I495 PolarHBondContact O-N 3.41Å; Q491-W541 HydrophobicContact CB-CB 3.85Å; Q491-W541 VanDerWaalsContact OE1-CB 3.24Å; Q491-L545 HydrophobicContact CB-CD1 3.97Å; Q491-L545 HydrophobicContact CG-CD1 4.1Å
492	K	90.4	Very high	83.7	Confident	51 Å²	51	39.5 Å²	39.5	22%	0.222	20%	0.199	C	C	.	.	H	α-helix	trans	-59.7	-39	173.8	-73.9	167.5	-174.7	169.6	0	112.3	W445 E488 Y489 H490 I495 F496 V530 W541	W445-K492 HydrophobicContact CH2-CB 4.38Å; E488-K492 WeakPolarHBondContact O-CB 3.37Å; E488-K492 WeakPolarHBondContact O-CG 3.48Å; E488-K492 PolarHBondContact O-N 3.45Å; E488-K492 IonicContact OE2-NZ 3.23Å; E488-K492 PolarHBondContact OE2-NZ 3.07Å; Y489-K492 PolarHBondContact O-N 3Å; H490-K492 VanDerWaalsContact C-N 3.32Å; H490-K492 PolarHBondContact O-N 3.43Å; K492-I495 WeakPolarHBondContact O-CB 3.47Å; K492-I495 PolarHBondContact O-N 3.43Å; K492-F496 WeakPolarHBondContact O-CD2 3.41Å; K492-V530 HydrophobicContact CB-CG1 4.13Å; K492-V530 HydrophobicContact CD-CG2 4.45Å; K492-V530 HydrophobicContact CG-CG1 4.19Å; K492-W541 HydrophobicContact CD-CZ2 4.15Å; K492-W541 HydrophobicContact CG-CD2 3.68Å; K492-W541 HydrophobicContact CG-CE3 4Å; K492-W541 HydrophobicContact CG-CG 4.23Å; K492-W541 HydrophobicContact CG-CH2 4.11Å; K492-W541 HydrophobicContact CG-CZ2 3.79Å; K492-W541 HydrophobicContact CG-CZ3 4.2Å
493	R	88.8	Confident	84.2	Confident	7 Å²	7	41.1 Å²	41.1	3%	0.026	21%	0.207	C	C	.	.	H	α-helix	trans	-70	-31.4	176.2	-67.5	-171.8	72.9	158.4	-2.5	113.3	Y332 D443 W445 N446 Y489 H490 Q491 I495 F496	Y332-R493 PolarHBondContact O-NH1 3.46Å; Y332-R493 PolarHBondContact O-NH2 2.71Å; D443-R493 IonicContact OD1-CZ 3.75Å; D443-R493 IonicContact OD1-NH2 2.82Å; D443-R493 PolarHBondContact OD1-NH2 2.88Å; D443-R493 IonicContact OD2-CZ 2.8Å; D443-R493 VanDerWaalsContact OD2-CZ 3.26Å; D443-R493 IonicContact OD2-NE 3.48Å; D443-R493 PolarHBondContact OD2-NE 3.17Å; D443-R493 IonicContact OD2-NH2 2.73Å; D443-R493 PolarHBondContact OD2-NH2 3.26Å; W445-R493 HydrophobicContact CD2-CG 4.06Å; W445-R493 HydrophobicContact CE3-CG 3.75Å; W445-R493 HydrophobicContact CH2-CG 4.06Å; W445-R493 HydrophobicContact CZ2-CG 4.32Å; W445-R493 HydrophobicContact CZ3-CG 3.76Å; N446-R493 PolarHBondContact ND2-NH2 2.98Å; N446-R493 PolarHBondContact OD1-NH2 3.26Å; Y489-R493 PolarHBondContact O-N 3.27Å; Y489-R493 PolarHBondContact OH-NH1 3.26Å; H490-R493 PolarHBondContact O-N 3Å; H490-R493 VanDerWaalsContact O-N 3.12Å; Q491-R493 VanDerWaalsContact C-N 3.32Å; Q491-R493 PolarHBondContact O-N 3.17Å; R493-I495 VanDerWaalsContact C-N 3.26Å; R493-I495 PolarHBondContact O-N 3.22Å; R493-F496 PolarHBondContact O-N 3.43Å
494	L	88.3	Confident	84.4	Confident	8 Å²	8	35.6 Å²	35.6	4%	0.042	19%	0.191	C	C	.	.	H	α-helix	trans	-67.5	-25.6	176.3	-73.1	173.6	0	0	0	112.9	M481 H490 Q491 F496 R497 L502 L545	M481-L494 HydrophobicContact CB-CD1 4.29Å; M481-L494 HydrophobicContact CE-CD2 3.95Å; M481-L494 HydrophobicContact SD-CD2 4.41Å; H490-L494 WeakPolarHBondContact O-CG 3.37Å; H490-L494 PolarHBondContact O-N 3.27Å; Q491-L494 PolarHBondContact O-N 2.63Å; L494-F496 PolarHBondContact O-N 3.06Å; L494-F496 VanDerWaalsContact O-N 3.15Å; L494-R497 HydrophobicContact CD2-CG 4.29Å; L494-R497 VanDerWaalsContact O-CB 3.27Å; L494-R497 WeakPolarHBondContact O-CB 3.28Å; L494-R497 WeakPolarHBondContact O-CG 3.46Å; L494-R497 PolarHBondContact O-N 3.39Å; L494-L502 HydrophobicContact CB-CD2 4.39Å; L494-L502 HydrophobicContact CD2-CD2 4.18Å; L494-L545 HydrophobicContact CB-CD1 4.16Å; L494-L545 HydrophobicContact CB-CD2 3.6Å; L494-L545 HydrophobicContact CD1-CD1 4.2Å
495	I	91.8	Very high	84.4	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-25.4	174.2	-67.2	-71.7	0	0	0	112	Q491 K492 R493 R497 M520 P531 F532 W541 M544 L545 V548	Q491-I495 PolarHBondContact O-N 3.41Å; K492-I495 WeakPolarHBondContact O-CB 3.47Å; K492-I495 PolarHBondContact O-N 3.43Å; R493-I495 VanDerWaalsContact C-N 3.26Å; R493-I495 PolarHBondContact O-N 3.22Å; I495-R497 PolarHBondContact O-N 3.17Å; I495-M520 HydrophobicContact CG2-SD 4.34Å; I495-P531 HydrophobicContact CG2-CB 4.08Å; I495-F532 HydrophobicContact CD1-CD2 4.49Å; I495-F532 HydrophobicContact CG2-CD2 3.7Å; I495-F532 HydrophobicContact CG2-CE2 4.06Å; I495-W541 HydrophobicContact CG1-CE3 4.12Å; I495-W541 HydrophobicContact CG1-CZ3 4.11Å; I495-M544 HydrophobicContact CD1-CB 4.3Å; I495-M544 HydrophobicContact CD1-CG 3.84Å; I495-L545 HydrophobicContact CD1-CD2 3.66Å; I495-L545 HydrophobicContact CD1-CG 4.05Å; I495-L545 HydrophobicContact CG1-CD2 3.98Å; I495-V548 HydrophobicContact CD1-CG2 4.16Å
496	F	93.1	Very high	84.4	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-7	176.1	-67.5	-101.7	0	0	0	113.1	D443 W445 K492 R493 L494 S517 M520 I521 E524 V530 P531	D443-F496 HydrophobicContact CB-CB 4.07Å; D443-F496 HydrophobicContact CB-CD1 3.9Å; D443-F496 HydrophobicContact CB-CD2 4.23Å; D443-F496 HydrophobicContact CB-CE1 4.48Å; D443-F496 HydrophobicContact CB-CG 3.78Å; W445-F496 HydrophobicContact CH2-CE2 4.37Å; W445-F496 HydrophobicContact CZ3-CD2 4.25Å; W445-F496 AromaticContact CZ3-CE2 3.68Å; W445-F496 HydrophobicContact CZ3-CE2 3.68Å; W445-F496 HydrophobicContact CZ3-CZ 4.15Å; K492-F496 WeakPolarHBondContact O-CD2 3.41Å; R493-F496 PolarHBondContact O-N 3.43Å; L494-F496 PolarHBondContact O-N 3.06Å; L494-F496 VanDerWaalsContact O-N 3.15Å; F496-S517 WeakPolarHBondContact O-CA 3.14Å; F496-S517 WeakPolarHBondContact O-CB 3.41Å; F496-S517 PolarHBondContact O-OG 3.33Å; F496-M520 HydrophobicContact CD1-CB 3.41Å; F496-M520 VanDerWaalsContact CD1-CB 3.41Å; F496-M520 HydrophobicContact CD1-CG 4.44Å; F496-M520 HydrophobicContact CE1-CB 3.65Å; F496-M520 HydrophobicContact CG-CB 4.04Å; F496-M520 HydrophobicContact CZ-CB 4.42Å; F496-I521 HydrophobicContact CD1-CG1 4.04Å; F496-I521 HydrophobicContact CE1-CG1 3.92Å; F496-E524 WeakPolarHBondContact CZ-OE2 3.35Å; F496-V530 HydrophobicContact CE2-CG1 4.4Å; F496-P531 HydrophobicContact CE1-CG 4.47Å; F496-P531 HydrophobicContact CZ-CG 4.1Å
497	R	89.2	Confident	84.1	Confident	5 Å²	5	40 Å²	40	2%	0.019	21%	0.205	C	C	.	.	S	Bend	trans	-93.8	134.9	-175.5	-55	-66.5	164.3	-116.3	-8.1	110.7	L441 L442 D443 L494 I495 L502 Y516	L441-R497 VanDerWaalsContact C-CZ 3.4Å; L441-R497 VanDerWaalsContact C-NH2 3.26Å; L441-R497 VanDerWaalsContact CA-NH1 3.28Å; L441-R497 PolarHBondContact O-NH1 2.84Å; L441-R497 PolarHBondContact O-NH2 2.91Å; L442-R497 VanDerWaalsContact N-NH1 3.19Å; L442-R497 PolarHBondContact O-NH1 3.44Å; D443-R497 IonicContact OD2-NH2 2.72Å; D443-R497 PolarHBondContact OD2-NH2 3.43Å; L494-R497 HydrophobicContact CD2-CG 4.29Å; L494-R497 VanDerWaalsContact O-CB 3.27Å; L494-R497 WeakPolarHBondContact O-CB 3.28Å; L494-R497 WeakPolarHBondContact O-CG 3.46Å; L494-R497 PolarHBondContact O-N 3.39Å; I495-R497 PolarHBondContact O-N 3.17Å; R497-L502 HydrophobicContact CB-CD2 3.82Å; R497-L502 HydrophobicContact CB-CG 4.04Å; R497-L502 HydrophobicContact CG-CD2 4.43Å; R497-Y516 VanDerWaalsContact C-CE1 3.47Å; R497-Y516 VanDerWaalsContact O-CE1 3.22Å; R497-Y516 WeakPolarHBondContact O-CE1 3.49Å
498	H	89.6	Confident	84.1	Confident	12 Å²	12	39.6 Å²	39.6	6%	0.056	21%	0.207	C	C	.	.			trans	-60.9	142.9	174.8	-175.2	-103.5	0	0	0	111	S500 L501 L502 H513 Y516	H498-S500 WeakPolarHBondContact ND1-CB 3.16Å; H498-S500 PolarHBondContact ND1-N 3.22Å; H498-S500 PolarHBondContact ND1-OG 3.47Å; H498-S500 PolarHBondContact O-N 2.79Å; H498-L501 WeakPolarHBondContact O-CB 3.5Å; H498-L501 PolarHBondContact O-N 3.32Å; H498-L502 PolarHBondContact O-N 3.32Å; H498-H513 HydrophobicContact CB-CB 4.43Å; H498-H513 AromaticContact CG-CD2 3.98Å; H498-H513 AromaticContact ND1-CD2 3.8Å; H498-Y516 HydrophobicContact CB-CD1 4.07Å; H498-Y516 HydrophobicContact CB-CG 3.96Å; H498-Y516 AromaticContact CD2-CD2 3.66Å; H498-Y516 AromaticContact CD2-CG 3.78Å
499	R	88.7	Confident	84.3	Confident	68 Å²	68	35.3 Å²	35.3	26%	0.257	19%	0.187	S	C	.	.	H	α-helix	trans	-52.6	-34.1	-175.7	73.7	178.7	-67.4	-127.8	5.7	114.1	L501 L502 L503 V549	R499-L501 VanDerWaalsContact C-N 3.28Å; R499-L501 PolarHBondContact O-N 2.97Å; R499-L502 PolarHBondContact O-N 3.19Å; R499-L503 WeakPolarHBondContact O-CB 3.38Å; R499-L503 WeakPolarHBondContact O-CG 3.34Å; R499-L503 PolarHBondContact O-N 3.06Å; R499-V549 PolarHBondContact NE-O 3.02Å; R499-V549 PolarHBondContact NH2-O 3.27Å
500	S	87.3	Confident	84.6	Confident	23 Å²	23	32.5 Å²	32.5	16%	0.161	18%	0.18	C	C	.	.	H	α-helix	trans	-66	-34.2	-177.9	65.5	0	0	0	0	111.9	H498 Q505 V506 H513	H498-S500 WeakPolarHBondContact ND1-CB 3.16Å; H498-S500 PolarHBondContact ND1-N 3.22Å; H498-S500 PolarHBondContact ND1-OG 3.47Å; H498-S500 PolarHBondContact O-N 2.79Å; S500-Q505 PolarHBondContact O-N 3.37Å; S500-V506 WeakPolarHBondContact O-CG2 3.28Å; S500-V506 WeakPolarHBondContact OG-CG2 3.31Å; S500-H513 PolarHBondContact OG-NE2 3.11Å
501	L	85.3	Confident	85.3	Confident	6 Å²	6	35.6 Å²	35.6	3%	0.031	19%	0.193	C	C	.	.	H	α-helix	trans	-69.7	-46.5	173.2	-65.1	172.4	0	0	0	110.1	C478 H498 R499 L503 G504 V506 F509 H513	C478-L501 WeakPolarHBondContact CB-O 3.34Å; H498-L501 WeakPolarHBondContact O-CB 3.5Å; H498-L501 PolarHBondContact O-N 3.32Å; R499-L501 VanDerWaalsContact C-N 3.28Å; R499-L501 PolarHBondContact O-N 2.97Å; L501-L503 PolarHBondContact O-N 3.41Å; L501-G504 PolarHBondContact O-N 3.03Å; L501-V506 HydrophobicContact CD2-CB 4.49Å; L501-V506 HydrophobicContact CD2-CG2 4Å; L501-F509 HydrophobicContact CD1-CD1 3.88Å; L501-F509 HydrophobicContact CD1-CE1 3.6Å; L501-F509 HydrophobicContact CD2-CD1 3.77Å; L501-F509 HydrophobicContact CD2-CE1 3.57Å; L501-F509 HydrophobicContact CD2-CG 4.42Å; L501-F509 HydrophobicContact CD2-CZ 4.03Å; L501-F509 HydrophobicContact CG-CD1 4.49Å; L501-F509 HydrophobicContact CG-CE1 4.23Å; L501-H513 HydrophobicContact CD1-CB 3.85Å
502	L	85.1	Confident	85.6	Confident	1 Å²	1	37.7 Å²	37.7	1%	0.005	20%	0.203	C	C	.	.	H	α-helix	trans	-60.4	-27.6	177.3	-64.1	-179.6	0	0	0	113.4	C478 S479 I482 L494 R497 H498 R499 L545 V548 V549	C478-L502 HydrophobicContact CB-CD2 4.16Å; S479-L502 WeakPolarHBondContact CA-O 3.44Å; S479-L502 WeakPolarHBondContact CB-O 3.41Å; S479-L502 PolarHBondContact N-O 3.01Å; S479-L502 VanDerWaalsContact N-O 3.12Å; I482-L502 HydrophobicContact CD1-CB 4.18Å; I482-L502 HydrophobicContact CD1-CD2 4.34Å; L494-L502 HydrophobicContact CB-CD2 4.39Å; L494-L502 HydrophobicContact CD2-CD2 4.18Å; R497-L502 HydrophobicContact CB-CD2 3.82Å; R497-L502 HydrophobicContact CB-CG 4.04Å; R497-L502 HydrophobicContact CG-CD2 4.43Å; H498-L502 PolarHBondContact O-N 3.32Å; R499-L502 PolarHBondContact O-N 3.19Å; L502-L545 HydrophobicContact CD1-CD2 4.44Å; L502-V548 HydrophobicContact CD1-CG1 4.16Å; L502-V549 HydrophobicContact CB-CG2 3.72Å; L502-V549 HydrophobicContact CD1-CG2 3.99Å
503	L	84	Confident	85.7	Confident	51 Å²	51	35.3 Å²	35.3	27%	0.267	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-7.5	175.7	-77.2	167.6	0	0	0	114	R499 L501 Q505 V549	R499-L503 WeakPolarHBondContact O-CB 3.38Å; R499-L503 WeakPolarHBondContact O-CG 3.34Å; R499-L503 PolarHBondContact O-N 3.06Å; L501-L503 PolarHBondContact O-N 3.41Å; L503-Q505 HydrophobicContact CB-CB 4.34Å; L503-Q505 HydrophobicContact CB-CG 3.88Å; L503-Q505 PolarHBondContact O-N 3.25Å; L503-V549 HydrophobicContact CD1-CG1 4.46Å; L503-V549 HydrophobicContact CD2-CG1 3.37Å; L503-V549 HydrophobicContact CG-CG1 3.81Å
504	G	77.7	Confident	86.1	Confident	34 Å²	34	35 Å²	35	35%	0.351	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.4	16.1	-174.3	0	0	0	0	0	114.5	K476 L501	K476-G504 VanDerWaalsContact O-CA 3.28Å; K476-G504 WeakPolarHBondContact O-CA 3.39Å; L501-G504 PolarHBondContact O-N 3.03Å
505	Q	71.8	Confident	86.4	Confident	148 Å²	148	35.1 Å²	35.1	69%	0.692	19%	0.192	S	C	*	.			trans	-85.7	-5.5	-172.2	-74.9	177.1	-0.5	0	0	114	S500 L503	S500-Q505 PolarHBondContact O-N 3.37Å; L503-Q505 HydrophobicContact CB-CB 4.34Å; L503-Q505 HydrophobicContact CB-CG 3.88Å; L503-Q505 PolarHBondContact O-N 3.25Å
506	V	73.6	Confident	86.6	Confident	31 Å²	31	35.6 Å²	35.6	19%	0.188	19%	0.194	C	C	.	.			trans	-103.6	136.6	-171.6	-137.5	0	0	0	0	112.2	K476 S500 L501 S508	K476-V506 WeakPolarHBondContact CD-O 3.39Å; K476-V506 VanDerWaalsContact CE-O 3.26Å; K476-V506 WeakPolarHBondContact CE-O 3.41Å; S500-V506 WeakPolarHBondContact O-CG2 3.28Å; S500-V506 WeakPolarHBondContact OG-CG2 3.31Å; L501-V506 HydrophobicContact CD2-CB 4.49Å; L501-V506 HydrophobicContact CD2-CG2 4Å; V506-S508 WeakPolarHBondContact CG1-O 3.42Å
507	T	69.4	Low	86.7	Confident	109 Å²	109	35.6 Å²	35.6	67%	0.669	19%	0.194	S	C	*	.	S	Bend	trans	-87.6	-15.3	176.5	53.5	0	0	0	0	113.4	K476	K476-T507 VanDerWaalsContact CE-C 3.46Å; K476-T507 WeakPolarHBondContact CE-O 3.4Å; K476-T507 VanDerWaalsContact NZ-C 3.35Å; K476-T507 PolarHBondContact NZ-O 2.88Å
508	S	80.2	Confident	87.1	Confident	54 Å²	54	35.4 Å²	35.4	38%	0.378	19%	0.193	S	C	.	.	S	Bend	trans	-152.9	156.2	177.4	56.1	0	0	0	0	111.2	V506	V506-S508 WeakPolarHBondContact CG1-O 3.42Å
509	F	87.2	Confident	87.4	Confident	19 Å²	19	34.9 Å²	34.9	8%	0.083	19%	0.191	C	C	.	.			trans	-75.9	138.4	169.9	-72	-96.7	0	0	0	110	V438 G440 V463 L475 L501 H513	V438-F509 HydrophobicContact CB-CB 4.37Å; V438-F509 HydrophobicContact CG1-CB 3.85Å; G440-F509 VanDerWaalsContact CA-CD1 3.49Å; V463-F509 HydrophobicContact CG1-CB 3.87Å; V463-F509 HydrophobicContact CG1-CD1 4.4Å; V463-F509 HydrophobicContact CG1-CD2 3.51Å; V463-F509 HydrophobicContact CG1-CE2 4.14Å; V463-F509 HydrophobicContact CG1-CG 3.67Å; V463-F509 HydrophobicContact CG2-CD2 4.49Å; V463-F509 HydrophobicContact CG2-CE2 4.39Å; V463-F509 HydrophobicContact CG2-CZ 4.43Å; L475-F509 HydrophobicContact CB-CE2 3.95Å; L475-F509 HydrophobicContact CB-CZ 3.99Å; L475-F509 HydrophobicContact CD1-CE2 4.25Å; L501-F509 HydrophobicContact CD1-CD1 3.88Å; L501-F509 HydrophobicContact CD1-CE1 3.6Å; L501-F509 HydrophobicContact CD2-CD1 3.77Å; L501-F509 HydrophobicContact CD2-CE1 3.57Å; L501-F509 HydrophobicContact CD2-CG 4.42Å; L501-F509 HydrophobicContact CD2-CZ 4.03Å; L501-F509 HydrophobicContact CG-CD1 4.49Å; L501-F509 HydrophobicContact CG-CE1 4.23Å; F509-H513 WeakPolarHBondContact CA-ND1 3.39Å; F509-H513 AromaticContact CD1-ND1 3.92Å
510	G	89.8	Confident	87.8	Confident	13 Å²	13	31.6 Å²	31.6	13%	0.134	18%	0.179	C	C	.	.			trans	-121.4	164.1	-179.2	0	0	0	0	0	111.7	V438 E512 H513	V438-G510 VanDerWaalsContact CG1-O 3.3Å; V438-G510 WeakPolarHBondContact CG1-O 3.45Å; G510-E512 VanDerWaalsContact C-OE2 3.22Å; G510-E512 VanDerWaalsContact CA-OE2 3.29Å; G510-E512 WeakPolarHBondContact CA-OE2 3.49Å; G510-E512 PolarHBondContact O-N 3.13Å; G510-H513 PolarHBondContact N-CE1 3.19Å; G510-H513 PolarHBondContact N-ND1 3.34Å; G510-H513 WeakPolarHBondContact O-CB 3.32Å; G510-H513 PolarHBondContact O-N 3.33Å; G510-H513 VanDerWaalsContact O-N 3.08Å
511	F	94	Very high	88.3	Confident	90 Å²	90	30.5 Å²	30.5	40%	0.395	17%	0.171	S	C	.	.	H	α-helix	trans	-62	-28.6	-179.6	-61.9	-43.6	0	0	0	112.3	H433 V438 H513 D514 L515	H433-F511 HydrophobicContact CB-CD1 4.13Å; H433-F511 HydrophobicContact CB-CE1 4.14Å; H433-F511 AromaticContact CD2-CD1 3.44Å; H433-F511 VanDerWaalsContact CD2-CD1 3.44Å; H433-F511 WeakPolarHBondContact CD2-CD1 3.35Å; H433-F511 AromaticContact CD2-CE1 3.92Å; H433-F511 AromaticContact CE1-CD1 3.88Å; H433-F511 AromaticContact CG-CD1 3.56Å; H433-F511 AromaticContact ND1-CD1 3.85Å; H433-F511 AromaticContact ND1-CG 3.97Å; H433-F511 AromaticContact NE2-CD1 3.64Å; V438-F511 HydrophobicContact CG2-CD1 3.55Å; V438-F511 HydrophobicContact CG2-CE1 3.61Å; F511-H513 PolarHBondContact O-N 2.86Å; F511-D514 PolarHBondContact O-N 3.4Å; F511-L515 WeakPolarHBondContact O-CG 3.25Å; F511-L515 PolarHBondContact O-N 2.97Å; F511-L515 VanDerWaalsContact O-N 3.15Å
512	E	93	Very high	88.8	Confident	62 Å²	62	30.2 Å²	30.2	29%	0.29	17%	0.169	S	C	.	.	H	α-helix	trans	-61.5	-28	175.5	72.2	-73.8	176.4	0	0	113.1	G510 L515 Y516 P577	G510-E512 VanDerWaalsContact C-OE2 3.22Å; G510-E512 VanDerWaalsContact CA-OE2 3.29Å; G510-E512 WeakPolarHBondContact CA-OE2 3.49Å; G510-E512 PolarHBondContact O-N 3.13Å; E512-L515 PolarHBondContact O-N 3.07Å; E512-Y516 PolarHBondContact O-N 3.03Å; E512-P577 HydrophobicContact CB-CG 3.88Å
513	H	92.7	Very high	89.3	Confident	1 Å²	1	30.2 Å²	30.2	1%	0.005	17%	0.169	C	C	.	.	H	α-helix	trans	-69.8	-41.7	177.4	-54	145.7	0	0	0	111.3	H498 S500 L501 F509 G510 F511 L515 Y516 S517	H498-H513 HydrophobicContact CB-CB 4.43Å; H498-H513 AromaticContact CG-CD2 3.98Å; H498-H513 AromaticContact ND1-CD2 3.8Å; S500-H513 PolarHBondContact OG-NE2 3.11Å; L501-H513 HydrophobicContact CD1-CB 3.85Å; F509-H513 WeakPolarHBondContact CA-ND1 3.39Å; F509-H513 AromaticContact CD1-ND1 3.92Å; G510-H513 PolarHBondContact N-CE1 3.19Å; G510-H513 PolarHBondContact N-ND1 3.34Å; G510-H513 WeakPolarHBondContact O-CB 3.32Å; G510-H513 PolarHBondContact O-N 3.33Å; G510-H513 VanDerWaalsContact O-N 3.08Å; F511-H513 PolarHBondContact O-N 2.86Å; H513-L515 VanDerWaalsContact C-N 3.33Å; H513-Y516 PolarHBondContact O-N 3.1Å; H513-S517 PolarHBondContact O-N 2.97Å; H513-S517 PolarHBondContact O-OG 3.35Å
514	D	95.7	Very high	89.7	Confident	1 Å²	1	28 Å²	28	1%	0.005	16%	0.158	C	C	.	.	H	α-helix	trans	-66.8	-36.7	175.4	-71.2	-16	0	0	0	111.6	I429 H433 V438 H439 G440 F511 S517 F518	I429-D514 HydrophobicContact CG2-CB 4.4Å; H433-D514 IonicContact CD2-OD2 3.73Å; H433-D514 IonicContact CE1-OD2 3.93Å; H433-D514 WeakPolarHBondContact NE2-CB 3.4Å; H433-D514 IonicContact NE2-OD2 3.9Å; H433-D514 PolarHBondContact NE2-OD2 3.12Å; V438-D514 WeakPolarHBondContact CA-OD2 3.4Å; H439-D514 WeakPolarHBondContact CB-OD1 3.2Å; H439-D514 PolarHBondContact N-OD1 3.01Å; H439-D514 PolarHBondContact N-OD2 3.44Å; G440-D514 PolarHBondContact N-OD1 2.9Å; F511-D514 PolarHBondContact O-N 3.4Å; D514-S517 PolarHBondContact O-N 3.09Å; D514-F518 WeakPolarHBondContact O-CB 3.45Å; D514-F518 PolarHBondContact O-N 3.44Å
515	L	96.3	Very high	90.5	Very high	9 Å²	9	26.4 Å²	26.4	5%	0.047	14%	0.141	C	C	.	.	H	α-helix	trans	-65	-41.6	177	-68.8	178.2	0	0	0	111.8	F511 E512 H513 F518 A519 L572 P577 I579 A581 V584	F511-L515 WeakPolarHBondContact O-CG 3.25Å; F511-L515 PolarHBondContact O-N 2.97Å; F511-L515 VanDerWaalsContact O-N 3.15Å; E512-L515 PolarHBondContact O-N 3.07Å; H513-L515 VanDerWaalsContact C-N 3.33Å; L515-F518 WeakPolarHBondContact O-CB 3.48Å; L515-F518 PolarHBondContact O-N 3.18Å; L515-A519 PolarHBondContact O-N 2.83Å; L515-A519 VanDerWaalsContact O-N 3.08Å; L515-L572 HydrophobicContact CB-CD2 3.81Å; L515-L572 HydrophobicContact CD2-CD2 3.87Å; L515-L572 HydrophobicContact CG-CD2 4.27Å; L515-P577 HydrophobicContact CB-CG 4.33Å; L515-P577 HydrophobicContact CD1-CB 4.27Å; L515-P577 HydrophobicContact CD1-CG 3.78Å; L515-I579 VanDerWaalsContact CD1-O 3.24Å; L515-I579 WeakPolarHBondContact CD1-O 3.22Å; L515-A581 HydrophobicContact CD2-CB 4.36Å; L515-V584 HydrophobicContact CD2-CG2 4.21Å
516	Y	95.3	Very high	91.5	Very high	10 Å²	10	19.6 Å²	19.6	4%	0.039	11%	0.109	C	C	.	.	H	α-helix	trans	-61.7	-48	172.1	179.6	-87.9	0	0	0	111.5	R497 H498 E512 H513 F518 A519 M520 V548 T573	R497-Y516 VanDerWaalsContact C-CE1 3.47Å; R497-Y516 VanDerWaalsContact O-CE1 3.22Å; R497-Y516 WeakPolarHBondContact O-CE1 3.49Å; H498-Y516 HydrophobicContact CB-CD1 4.07Å; H498-Y516 HydrophobicContact CB-CG 3.96Å; H498-Y516 AromaticContact CD2-CD2 3.66Å; H498-Y516 AromaticContact CD2-CG 3.78Å; E512-Y516 PolarHBondContact O-N 3.03Å; H513-Y516 PolarHBondContact O-N 3.1Å; Y516-F518 PolarHBondContact O-N 3.48Å; Y516-A519 VanDerWaalsContact O-CB 3.25Å; Y516-A519 WeakPolarHBondContact O-CB 3.39Å; Y516-A519 PolarHBondContact O-N 2.84Å; Y516-M520 HydrophobicContact CD1-CG 4.29Å; Y516-M520 HydrophobicContact CD2-CE 4.42Å; Y516-M520 HydrophobicContact CE1-CE 3.94Å; Y516-M520 HydrophobicContact CE1-CG 3.9Å; Y516-M520 HydrophobicContact CE1-SD 4.35Å; Y516-M520 HydrophobicContact CE2-CE 3.81Å; Y516-M520 PolarHBondContact O-N 3.1Å; Y516-V548 WeakPolarHBondContact OH-CG1 3.45Å; Y516-T573 HydrophobicContact CD2-CG2 4.32Å; Y516-T573 HydrophobicContact CE2-CG2 4.23Å
517	S	95.6	Very high	92.3	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.007	11%	0.108	C	C	.	.	H	α-helix	trans	-58.1	-36.5	176.1	-62.8	0	0	0	0	111.8	L442 F496 H513 D514 A519 M520 I521	L442-S517 WeakPolarHBondContact O-CB 3.11Å; L442-S517 PolarHBondContact O-OG 3.23Å; F496-S517 WeakPolarHBondContact O-CA 3.14Å; F496-S517 WeakPolarHBondContact O-CB 3.41Å; F496-S517 PolarHBondContact O-OG 3.33Å; H513-S517 PolarHBondContact O-N 2.97Å; H513-S517 PolarHBondContact O-OG 3.35Å; D514-S517 PolarHBondContact O-N 3.09Å; S517-A519 VanDerWaalsContact C-N 3.35Å; S517-M520 WeakPolarHBondContact O-CB 3.34Å; S517-M520 PolarHBondContact O-N 3.08Å; S517-I521 WeakPolarHBondContact O-CD1 3.4Å; S517-I521 WeakPolarHBondContact O-CG1 3.45Å; S517-I521 PolarHBondContact O-N 3.44Å
518	F	97.5	Very high	93.3	Very high	1 Å²	1	17.5 Å²	17.5	0%	0.004	9%	0.089	C	C	.	.	H	α-helix	trans	-66.8	-34.7	175.6	-170.7	-119.4	0	0	0	113	S422 V425 A426 I429 D514 L515 Y516 M520 I521 L522 L572 V584 L588	S422-F518 WeakPolarHBondContact O-CZ 3.3Å; V425-F518 HydrophobicContact CB-CD2 4.39Å; V425-F518 HydrophobicContact CB-CE2 3.75Å; V425-F518 HydrophobicContact CG1-CD2 3.6Å; V425-F518 HydrophobicContact CG1-CE2 3.47Å; V425-F518 VanDerWaalsContact CG1-CE2 3.47Å; A426-F518 HydrophobicContact CB-CE1 4.18Å; A426-F518 HydrophobicContact CB-CZ 3.85Å; I429-F518 HydrophobicContact CD1-CB 3.61Å; I429-F518 HydrophobicContact CD1-CD1 4.41Å; I429-F518 HydrophobicContact CD1-CD2 3.5Å; I429-F518 VanDerWaalsContact CD1-CD2 3.5Å; I429-F518 HydrophobicContact CD1-CE2 4.31Å; I429-F518 HydrophobicContact CD1-CG 3.56Å; D514-F518 WeakPolarHBondContact O-CB 3.45Å; D514-F518 PolarHBondContact O-N 3.44Å; L515-F518 WeakPolarHBondContact O-CB 3.48Å; L515-F518 PolarHBondContact O-N 3.18Å; Y516-F518 PolarHBondContact O-N 3.48Å; F518-M520 VanDerWaalsContact C-N 3.29Å; F518-M520 PolarHBondContact O-N 3.37Å; F518-I521 HydrophobicContact CD2-CB 4.41Å; F518-I521 HydrophobicContact CD2-CG2 4.47Å; F518-I521 PolarHBondContact O-N 3.07Å; F518-L522 HydrophobicContact CD1-CD1 3.99Å; F518-L522 HydrophobicContact CD1-CG 4.21Å; F518-L522 HydrophobicContact CE1-CD1 3.64Å; F518-L522 HydrophobicContact CE1-CD2 4.03Å; F518-L522 HydrophobicContact CE1-CG 3.79Å; F518-L522 HydrophobicContact CE2-CD2 4.31Å; F518-L522 HydrophobicContact CE2-CG 4.26Å; F518-L522 HydrophobicContact CZ-CD1 4.19Å; F518-L522 HydrophobicContact CZ-CD2 3.71Å; F518-L522 HydrophobicContact CZ-CG 3.83Å; F518-L522 WeakPolarHBondContact O-CG 3.1Å; F518-L522 PolarHBondContact O-N 2.92Å; F518-L572 HydrophobicContact CD1-CD1 3.88Å; F518-V584 HydrophobicContact CD1-CG1 3.73Å; F518-V584 HydrophobicContact CE1-CG1 3.29Å; F518-V584 HydrophobicContact CZ-CG1 4.33Å; F518-L588 HydrophobicContact CE1-CD1 4.16Å; F518-L588 HydrophobicContact CZ-CD1 3.96Å
519	A	96.1	Very high	93.8	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-60.1	-42.2	172.7	0	0	0	0	0	111.7	L515 Y516 S517 L522 T523 I569 L572 T573	L515-A519 PolarHBondContact O-N 2.83Å; L515-A519 VanDerWaalsContact O-N 3.08Å; Y516-A519 VanDerWaalsContact O-CB 3.25Å; Y516-A519 WeakPolarHBondContact O-CB 3.39Å; Y516-A519 PolarHBondContact O-N 2.84Å; S517-A519 VanDerWaalsContact C-N 3.35Å; A519-L522 PolarHBondContact O-N 3.02Å; A519-T523 PolarHBondContact O-N 3.26Å; A519-T523 PolarHBondContact O-OG1 3.11Å; A519-I569 HydrophobicContact CB-CG2 4.29Å; A519-L572 HydrophobicContact CB-CB 3.66Å; A519-L572 HydrophobicContact CB-CD1 4.25Å; A519-T573 HydrophobicContact CB-CG2 3.68Å
520	M	96.4	Very high	94	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-64.8	-42.5	175.9	-60.6	-58.1	126	0	0	111.4	I495 F496 Y516 S517 F518 T523 E524 P531 F532 P556 T573	I495-M520 HydrophobicContact CG2-SD 4.34Å; F496-M520 HydrophobicContact CD1-CB 3.41Å; F496-M520 VanDerWaalsContact CD1-CB 3.41Å; F496-M520 HydrophobicContact CD1-CG 4.44Å; F496-M520 HydrophobicContact CE1-CB 3.65Å; F496-M520 HydrophobicContact CG-CB 4.04Å; F496-M520 HydrophobicContact CZ-CB 4.42Å; Y516-M520 HydrophobicContact CD1-CG 4.29Å; Y516-M520 HydrophobicContact CD2-CE 4.42Å; Y516-M520 HydrophobicContact CE1-CE 3.94Å; Y516-M520 HydrophobicContact CE1-CG 3.9Å; Y516-M520 HydrophobicContact CE1-SD 4.35Å; Y516-M520 HydrophobicContact CE2-CE 3.81Å; Y516-M520 PolarHBondContact O-N 3.1Å; S517-M520 WeakPolarHBondContact O-CB 3.34Å; S517-M520 PolarHBondContact O-N 3.08Å; F518-M520 VanDerWaalsContact C-N 3.29Å; F518-M520 PolarHBondContact O-N 3.37Å; M520-T523 PolarHBondContact O-N 3.39Å; M520-E524 PolarHBondContact O-N 2.8Å; M520-P531 HydrophobicContact CB-CG 3.92Å; M520-P531 WeakPolarHBondContact O-CG 3.41Å; M520-P531 HydrophobicContact SD-CB 3.78Å; M520-P531 HydrophobicContact SD-CG 4.2Å; M520-F532 HydrophobicContact CE-CE2 4.44Å; M520-F532 HydrophobicContact SD-CE2 3.9Å; M520-P556 HydrophobicContact CE-CB 4.49Å; M520-P556 HydrophobicContact CE-CG 3.52Å; M520-P556 HydrophobicContact SD-CB 4.25Å; M520-P556 HydrophobicContact SD-CG 3.73Å; M520-T573 HydrophobicContact CE-CG2 3.64Å
521	I	96.9	Very high	94.2	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-62.9	-42.4	175.4	-69.4	159.7	0	0	0	111.5	L442 T444 I447 F496 S517 F518 E524 I525	L442-I521 HydrophobicContact CD1-CD1 4.48Å; L442-I521 HydrophobicContact CD2-CD1 3.78Å; L442-I521 HydrophobicContact CG-CD1 3.66Å; T444-I521 HydrophobicContact CG2-CB 4.34Å; T444-I521 HydrophobicContact CG2-CG1 3.96Å; T444-I521 HydrophobicContact CG2-CG2 4.02Å; I447-I521 HydrophobicContact CD1-CD1 3.71Å; I447-I521 HydrophobicContact CD1-CG1 4.36Å; I447-I521 HydrophobicContact CD1-CG2 4.22Å; F496-I521 HydrophobicContact CD1-CG1 4.04Å; F496-I521 HydrophobicContact CE1-CG1 3.92Å; S517-I521 WeakPolarHBondContact O-CD1 3.4Å; S517-I521 WeakPolarHBondContact O-CG1 3.45Å; S517-I521 PolarHBondContact O-N 3.44Å; F518-I521 HydrophobicContact CD2-CB 4.41Å; F518-I521 HydrophobicContact CD2-CG2 4.47Å; F518-I521 PolarHBondContact O-N 3.07Å; I521-E524 PolarHBondContact O-N 3.02Å; I521-I525 HydrophobicContact CG2-CD1 3.7Å; I521-I525 HydrophobicContact CG2-CG1 4.25Å; I521-I525 VanDerWaalsContact O-CG1 3.31Å; I521-I525 WeakPolarHBondContact O-CG1 3.38Å; I521-I525 PolarHBondContact O-N 2.69Å
522	L	96.1	Very high	94.2	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-59.9	-46.3	175.6	-76.2	175.2	0	0	0	110.9	S422 F518 A519 E524 I525 F526 V565 L568 I569 L572 L588	S422-L522 WeakPolarHBondContact OG-CD2 3.17Å; F518-L522 HydrophobicContact CD1-CD1 3.99Å; F518-L522 HydrophobicContact CD1-CG 4.21Å; F518-L522 HydrophobicContact CE1-CD1 3.64Å; F518-L522 HydrophobicContact CE1-CD2 4.03Å; F518-L522 HydrophobicContact CE1-CG 3.79Å; F518-L522 HydrophobicContact CE2-CD2 4.31Å; F518-L522 HydrophobicContact CE2-CG 4.26Å; F518-L522 HydrophobicContact CZ-CD1 4.19Å; F518-L522 HydrophobicContact CZ-CD2 3.71Å; F518-L522 HydrophobicContact CZ-CG 3.83Å; F518-L522 WeakPolarHBondContact O-CG 3.1Å; F518-L522 PolarHBondContact O-N 2.92Å; A519-L522 PolarHBondContact O-N 3.02Å; L522-E524 VanDerWaalsContact C-N 3.35Å; L522-E524 PolarHBondContact O-N 3.24Å; L522-I525 PolarHBondContact O-N 2.88Å; L522-F526 HydrophobicContact CD2-CE2 4.36Å; L522-F526 VanDerWaalsContact O-CD2 3.32Å; L522-F526 WeakPolarHBondContact O-CD2 3.36Å; L522-F526 PolarHBondContact O-N 3.17Å; L522-V565 HydrophobicContact CB-CG1 4.44Å; L522-V565 HydrophobicContact CD1-CG1 4.49Å; L522-V565 HydrophobicContact CD2-CG1 4.46Å; L522-L568 HydrophobicContact CD1-CD2 3.98Å; L522-L568 HydrophobicContact CD1-CG 4.25Å; L522-I569 HydrophobicContact CB-CD1 4Å; L522-I569 HydrophobicContact CB-CG1 3.92Å; L522-I569 HydrophobicContact CD1-CG1 4.09Å; L522-L572 HydrophobicContact CD1-CD1 4.01Å; L522-L588 HydrophobicContact CD2-CD2 4.38Å
523	T	95.4	Very high	94.1	Very high	1 Å²	1	13.7 Å²	13.7	1%	0.006	7%	0.068	C	C	.	.	H	α-helix	trans	-56	-51.9	174.4	-68.3	0	0	0	0	110.6	A519 M520 I525 F526 T527 P531 P556 I561	A519-T523 PolarHBondContact O-N 3.26Å; A519-T523 PolarHBondContact O-OG1 3.11Å; M520-T523 PolarHBondContact O-N 3.39Å; T523-I525 VanDerWaalsContact C-N 3.34Å; T523-I525 PolarHBondContact O-N 2.92Å; T523-F526 PolarHBondContact O-N 3.5Å; T523-F526 VanDerWaalsContact O-N 3.14Å; T523-T527 HydrophobicContact CG2-CG2 4.07Å; T523-T527 PolarHBondContact O-N 3.19Å; T523-T527 PolarHBondContact O-OG1 3.49Å; T523-P531 HydrophobicContact CG2-CB 4.22Å; T523-P531 HydrophobicContact CG2-CG 4.18Å; T523-P556 HydrophobicContact CG2-CB 4.09Å; T523-P556 HydrophobicContact CG2-CG 4.43Å; T523-P556 WeakPolarHBondContact CG2-O 2.91Å; T523-P556 VanDerWaalsContact OG1-CG 3.27Å; T523-P556 WeakPolarHBondContact OG1-CG 3.08Å; T523-P556 PolarHBondContact OG1-O 2.99Å; T523-I561 HydrophobicContact CG2-CD1 4.2Å
524	E	94.2	Very high	93.9	Very high	4 Å²	4	17.9 Å²	17.9	2%	0.019	9%	0.091	C	C	.	.	H	α-helix	trans	-61.7	-38.7	-177.5	-162.6	-176.8	174.5	0	0	112.8	H403 L406 T444 F496 M520 I521 L522 F526 R528 E529 P531	H403-E524 IonicContact CE1-OE1 2.78Å; H403-E524 IonicContact CG-OE1 2.98Å; H403-E524 IonicContact ND1-OE1 2.99Å; H403-E524 PolarHBondContact ND1-OE1 3.04Å; L406-E524 HydrophobicContact CD1-CB 4.41Å; L406-E524 HydrophobicContact CD1-CG 3.9Å; T444-E524 VanDerWaalsContact CB-OE2 3.28Å; T444-E524 WeakPolarHBondContact CB-OE2 3.4Å; T444-E524 HydrophobicContact CG2-CB 4.41Å; T444-E524 HydrophobicContact CG2-CG 4.48Å; T444-E524 WeakPolarHBondContact CG2-OE2 3.33Å; T444-E524 VanDerWaalsContact OG1-CD 3.26Å; T444-E524 PolarHBondContact OG1-OE1 3.38Å; T444-E524 PolarHBondContact OG1-OE2 3.04Å; F496-E524 WeakPolarHBondContact CZ-OE2 3.35Å; M520-E524 PolarHBondContact O-N 2.8Å; I521-E524 PolarHBondContact O-N 3.02Å; L522-E524 VanDerWaalsContact C-N 3.35Å; L522-E524 PolarHBondContact O-N 3.24Å; E524-F526 PolarHBondContact O-N 3.33Å; E524-R528 WeakPolarHBondContact O-CA 3.44Å; E524-R528 PolarHBondContact O-N 3.5Å; E524-E529 WeakPolarHBondContact CA-O 3.06Å; E524-P531 HydrophobicContact CB-CG 4.48Å
525	I	94.2	Very high	93.6	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-63	-43.8	176	-71.3	169.9	0	0	0	110.9	L402 L406 K418 L421 I521 L522 T523	L402-I525 HydrophobicContact CD2-CD1 4.07Å; L402-I525 HydrophobicContact CD2-CG1 4.17Å; L406-I525 HydrophobicContact CD1-CG1 4.18Å; K418-I525 HydrophobicContact CB-CG2 3.75Å; K418-I525 WeakPolarHBondContact CE-O 3.21Å; K418-I525 HydrophobicContact CG-CG2 3.95Å; L421-I525 HydrophobicContact CB-CD1 4.4Å; I521-I525 HydrophobicContact CG2-CD1 3.7Å; I521-I525 HydrophobicContact CG2-CG1 4.25Å; I521-I525 VanDerWaalsContact O-CG1 3.31Å; I521-I525 WeakPolarHBondContact O-CG1 3.38Å; I521-I525 PolarHBondContact O-N 2.69Å; L522-I525 PolarHBondContact O-N 2.88Å; T523-I525 VanDerWaalsContact C-N 3.34Å; T523-I525 PolarHBondContact O-N 2.92Å
526	F	92.4	Very high	93.4	Very high	6 Å²	6	23.1 Å²	23.1	3%	0.026	11%	0.11	C	C	.	.	H	α-helix	trans	-82.1	-34.2	-173.3	-81.3	-88.5	0	0	0	113.5	E415 K418 Y419 S422 L522 T523 E524 I561 P562 V565	E415-F526 HydrophobicContact CG-CE1 4.26Å; K418-F526 HydrophobicContact CB-CD1 4.14Å; K418-F526 HydrophobicContact CB-CE1 3.8Å; K418-F526 HydrophobicContact CB-CE2 4.33Å; K418-F526 HydrophobicContact CB-CZ 3.91Å; K418-F526 HydrophobicContact CD-CD1 3.94Å; K418-F526 HydrophobicContact CD-CE1 4.31Å; K418-F526 HydrophobicContact CD-CG 4.43Å; K418-F526 PolarHBondContact NZ-O 3.46Å; Y419-F526 HydrophobicContact CD2-CE1 4.19Å; Y419-F526 AromaticContact CD2-CZ 3.93Å; Y419-F526 HydrophobicContact CD2-CZ 3.93Å; Y419-F526 HydrophobicContact CE2-CE1 4.06Å; Y419-F526 AromaticContact CE2-CZ 3.98Å; Y419-F526 HydrophobicContact CE2-CZ 3.98Å; Y419-F526 HydrophobicContact CG-CZ 4.27Å; S422-F526 WeakPolarHBondContact OG-CE2 3.45Å; L522-F526 HydrophobicContact CD2-CE2 4.36Å; L522-F526 VanDerWaalsContact O-CD2 3.32Å; L522-F526 WeakPolarHBondContact O-CD2 3.36Å; L522-F526 PolarHBondContact O-N 3.17Å; T523-F526 PolarHBondContact O-N 3.5Å; T523-F526 VanDerWaalsContact O-N 3.14Å; E524-F526 PolarHBondContact O-N 3.33Å; F526-I561 HydrophobicContact CB-CG1 4.24Å; F526-I561 HydrophobicContact CB-CG2 4.49Å; F526-P562 VanDerWaalsContact CD1-CD 3.47Å; F526-P562 HydrophobicContact CD1-CG 3.9Å; F526-P562 HydrophobicContact CE1-CG 3.8Å; F526-V565 HydrophobicContact CD2-CG1 3.89Å; F526-V565 HydrophobicContact CE1-CG2 4.29Å; F526-V565 HydrophobicContact CE2-CG1 3.82Å; F526-V565 HydrophobicContact CE2-CG2 4.02Å; F526-V565 HydrophobicContact CZ-CG1 4.39Å; F526-V565 HydrophobicContact CZ-CG2 3.79Å
527	T	91	Very high	93.1	Very high	27 Å²	27	26.8 Å²	26.8	17%	0.166	14%	0.143	C	C	.	.	H	α-helix	trans	-90.9	-22.5	177.2	64.2	0	0	0	0	113	T523 E529 C558 I561	T523-T527 HydrophobicContact CG2-CG2 4.07Å; T523-T527 PolarHBondContact O-N 3.19Å; T523-T527 PolarHBondContact O-OG1 3.49Å; T527-E529 PolarHBondContact O-N 2.84Å; T527-E529 PolarHBondContact OG1-N 3.28Å; T527-E529 VanDerWaalsContact OG1-N 3.14Å; T527-E529 PolarHBondContact OG1-O 2.93Å; T527-E529 VanDerWaalsContact OG1-O 3.12Å; T527-C558 HydrophobicContact CG2-CB 3.79Å; T527-I561 HydrophobicContact CG2-CD1 4.12Å; T527-I561 HydrophobicContact CG2-CG1 3.94Å
528	R	90	Very high	93	Very high	68 Å²	68	32.7 Å²	32.7	26%	0.257	18%	0.179	S	C	.	.	S	Bend	trans	60.2	19.2	-167	-55.6	-178.2	62.3	162.4	7.2	114	L406 S408 Y411 E524	L406-R528 PolarHBondContact O-NE 3.13Å; L406-R528 PolarHBondContact O-NH2 3.37Å; S408-R528 PolarHBondContact O-NH2 2.86Å; Y411-R528 PolarHBondContact O-NH1 2.87Å; E524-R528 WeakPolarHBondContact O-CA 3.44Å; E524-R528 PolarHBondContact O-N 3.5Å
529	E	90	Very high	92.7	Very high	111 Å²	111	36.8 Å²	36.8	52%	0.519	20%	0.2	S	C	.	.	S	Bend	trans	-124.8	146.8	176.8	-64.7	-171.2	165.9	0	0	109.7	E524 T527 A533	E524-E529 WeakPolarHBondContact CA-O 3.06Å; T527-E529 PolarHBondContact O-N 2.84Å; T527-E529 PolarHBondContact OG1-N 3.28Å; T527-E529 VanDerWaalsContact OG1-N 3.14Å; T527-E529 PolarHBondContact OG1-O 2.93Å; T527-E529 VanDerWaalsContact OG1-O 3.12Å; E529-A533 HydrophobicContact CB-CB 4.1Å
530	V	91.9	Very high	92.6	Very high	20 Å²	20	38.4 Å²	38.4	12%	0.121	22%	0.216	C	C	.	.			trans	-55.8	136	173.8	-179.3	0	0	0	0	109	K492 F496 F532 A533 W541	K492-V530 HydrophobicContact CB-CG1 4.13Å; K492-V530 HydrophobicContact CD-CG2 4.45Å; K492-V530 HydrophobicContact CG-CG1 4.19Å; F496-V530 HydrophobicContact CE2-CG1 4.4Å; V530-F532 PolarHBondContact O-N 2.68Å; V530-A533 WeakPolarHBondContact O-CB 3.49Å; V530-A533 PolarHBondContact O-N 2.92Å; V530-W541 HydrophobicContact CB-CH2 3.84Å; V530-W541 HydrophobicContact CB-CZ2 4.38Å; V530-W541 HydrophobicContact CG1-CH2 3.59Å; V530-W541 HydrophobicContact CG1-CZ2 4.38Å; V530-W541 HydrophobicContact CG1-CZ3 3.98Å
531	P	93.6	Very high	92.3	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.006	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	135.6	-178.5	-29.9	38.4	0	0	0	112.3	I495 F496 M520 T523 E524 A533 P556	I495-P531 HydrophobicContact CG2-CB 4.08Å; F496-P531 HydrophobicContact CE1-CG 4.47Å; F496-P531 HydrophobicContact CZ-CG 4.1Å; M520-P531 HydrophobicContact CB-CG 3.92Å; M520-P531 WeakPolarHBondContact O-CG 3.41Å; M520-P531 HydrophobicContact SD-CB 3.78Å; M520-P531 HydrophobicContact SD-CG 4.2Å; T523-P531 HydrophobicContact CG2-CB 4.22Å; T523-P531 HydrophobicContact CG2-CG 4.18Å; E524-P531 HydrophobicContact CB-CG 4.48Å; P531-A533 VanDerWaalsContact C-N 3.31Å; P531-A533 PolarHBondContact O-N 3.13Å; P531-P556 HydrophobicContact CB-CB 3.83Å; P531-P556 HydrophobicContact CB-CG 4.43Å
532	F	93.7	Very high	92	Very high	5 Å²	5	43.5 Å²	43.5	2%	0.022	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.2	20.3	-174.5	-46.1	-78.4	0	0	0	115.8	I495 M520 V530 D534 R535 S536 M544 V548 L554 P556	I495-F532 HydrophobicContact CD1-CD2 4.49Å; I495-F532 HydrophobicContact CG2-CD2 3.7Å; I495-F532 HydrophobicContact CG2-CE2 4.06Å; M520-F532 HydrophobicContact CE-CE2 4.44Å; M520-F532 HydrophobicContact SD-CE2 3.9Å; V530-F532 PolarHBondContact O-N 2.68Å; F532-D534 VanDerWaalsContact C-N 3.31Å; F532-D534 PolarHBondContact O-N 2.98Å; F532-R535 PolarHBondContact O-N 2.61Å; F532-S536 VanDerWaalsContact O-CB 3.29Å; F532-S536 WeakPolarHBondContact O-CB 2.86Å; F532-S536 PolarHBondContact O-N 2.93Å; F532-S536 PolarHBondContact O-OG 2.97Å; F532-M544 HydrophobicContact CB-CE 3.94Å; F532-M544 HydrophobicContact CB-CG 3.73Å; F532-M544 HydrophobicContact CB-SD 3.59Å; F532-M544 VanDerWaalsContact CB-SD 3.59Å; F532-M544 HydrophobicContact CD1-CE 3.68Å; F532-M544 HydrophobicContact CD1-SD 4.33Å; F532-M544 HydrophobicContact CD2-CE 4.1Å; F532-M544 HydrophobicContact CE1-CE 4.12Å; F532-M544 HydrophobicContact CG-CE 3.66Å; F532-M544 HydrophobicContact CG-CG 4.27Å; F532-M544 HydrophobicContact CG-SD 4.03Å; F532-V548 HydrophobicContact CD2-CG2 4.44Å; F532-V548 HydrophobicContact CE2-CG2 4.02Å; F532-V548 HydrophobicContact CZ-CG2 4.4Å; F532-L554 HydrophobicContact CE1-CD2 4.34Å; F532-L554 HydrophobicContact CE1-CG 3.91Å; F532-L554 HydrophobicContact CZ-CD2 4.49Å; F532-L554 HydrophobicContact CZ-CG 4.18Å; F532-P556 HydrophobicContact CD1-CB 4.06Å; F532-P556 HydrophobicContact CD2-CB 4.18Å; F532-P556 VanDerWaalsContact CE1-CA 3.46Å; F532-P556 HydrophobicContact CE1-CB 3.73Å; F532-P556 HydrophobicContact CE2-CB 3.85Å; F532-P556 HydrophobicContact CE2-CG 4.49Å; F532-P556 HydrophobicContact CG-CB 4.29Å; F532-P556 HydrophobicContact CZ-CB 3.63Å; F532-P556 HydrophobicContact CZ-CG 4.22Å
533	A	90.8	Very high	91.8	Very high	22 Å²	22	44.2 Å²	44.2	18%	0.182	25%	0.246	C	C	.	.	H	α-helix	trans	-51.7	-47	177	0	0	0	0	0	112.8	E529 V530 P531 R535 S536 A537 W541	E529-A533 HydrophobicContact CB-CB 4.1Å; V530-A533 WeakPolarHBondContact O-CB 3.49Å; V530-A533 PolarHBondContact O-N 2.92Å; P531-A533 VanDerWaalsContact C-N 3.31Å; P531-A533 PolarHBondContact O-N 3.13Å; A533-R535 PolarHBondContact O-N 3.26Å; A533-S536 WeakPolarHBondContact CA-OG 3.42Å; A533-S536 PolarHBondContact O-N 3.22Å; A533-S536 PolarHBondContact O-OG 3.18Å; A533-A537 PolarHBondContact O-N 2.78Å; A533-W541 HydrophobicContact CB-CH2 4.42Å
534	D	88.5	Confident	91.6	Very high	89 Å²	89	44.3 Å²	44.3	48%	0.476	25%	0.246	S	C	.	.	H	α-helix	trans	-54.3	-48	177.4	64.2	-33.9	0	0	0	113.2	F532	F532-D534 VanDerWaalsContact C-N 3.31Å; F532-D534 PolarHBondContact O-N 2.98Å
535	R	90.4	Very high	91.5	Very high	113 Å²	113	44.1 Å²	44.1	43%	0.426	25%	0.245	S	C	.	.	H	α-helix	trans	-73.7	-41.9	179.3	-61.6	-175.5	-169.4	-166.3	3.9	111.4	F532 A533 A537 V538 I539 M544	F532-R535 PolarHBondContact O-N 2.61Å; A533-R535 PolarHBondContact O-N 3.26Å; R535-A537 PolarHBondContact O-N 2.86Å; R535-V538 PolarHBondContact O-N 3.03Å; R535-I539 PolarHBondContact O-N 2.99Å; R535-M544 HydrophobicContact CB-SD 3.81Å
536	S	90.6	Very high	91.3	Very high	6 Å²	6	49.3 Å²	49.3	4%	0.042	27%	0.269	C	S	.	.	H	α-helix	trans	-62.5	-28.6	179.4	76.6	0	0	0	0	112.5	F532 A533 V538 G540 W541	F532-S536 VanDerWaalsContact O-CB 3.29Å; F532-S536 WeakPolarHBondContact O-CB 2.86Å; F532-S536 PolarHBondContact O-N 2.93Å; F532-S536 PolarHBondContact O-OG 2.97Å; A533-S536 WeakPolarHBondContact CA-OG 3.42Å; A533-S536 PolarHBondContact O-N 3.22Å; A533-S536 PolarHBondContact O-OG 3.18Å; S536-V538 PolarHBondContact O-N 3.42Å; S536-G540 CarbonylContact O-C 3.57Å; S536-G540 WeakPolarHBondContact O-CA 3.41Å; S536-G540 PolarHBondContact O-N 3.12Å; S536-W541 VanDerWaalsContact OG-CE2 3.31Å; S536-W541 WeakPolarHBondContact OG-CH2 3.48Å; S536-W541 WeakPolarHBondContact OG-CZ2 3.34Å
537	A	90.5	Very high	91.3	Very high	88 Å²	88	52.5 Å²	52.5	73%	0.727	28%	0.284	S	S	*	.	H	α-helix	trans	-62.9	-23.7	174.2	0	0	0	0	0	112.8	A533 R535	A533-A537 PolarHBondContact O-N 2.78Å; R535-A537 PolarHBondContact O-N 2.86Å
538	V	92	Very high	91.3	Very high	125 Å²	125	51.3 Å²	51.3	76%	0.758	28%	0.277	S	S	*	.	H	α-helix	trans	-93.7	-45.4	179.5	-175.9	0	0	0	0	111.9	R535 S536	R535-V538 PolarHBondContact O-N 3.03Å; S536-V538 PolarHBondContact O-N 3.42Å
539	I	92.7	Very high	91.2	Very high	87 Å²	87	49.3 Å²	49.3	45%	0.446	27%	0.272	S	S	.	.	H	α-helix	trans	-105.5	-2.7	-172.1	66.7	177.4	0	0	0	114.4	R535 M544 E547	R535-I539 PolarHBondContact O-N 2.99Å; I539-M544 HydrophobicContact CD1-CB 4.4Å; I539-M544 HydrophobicContact CD1-SD 4.2Å; I539-E547 HydrophobicContact CD1-CG 4.21Å
540	G	92.5	Very high	91.2	Very high	33 Å²	33	51.2 Å²	51.2	34%	0.34	28%	0.279	S	S	.	.	H	α-helix	trans	75.7	159.7	-171.6	0	0	0	0	0	113.2	S536 K542 G543 M544	S536-G540 CarbonylContact O-C 3.57Å; S536-G540 WeakPolarHBondContact O-CA 3.41Å; S536-G540 PolarHBondContact O-N 3.12Å; G540-K542 PolarHBondContact O-N 2.82Å; G540-G543 PolarHBondContact O-N 2.93Å; G540-M544 PolarHBondContact O-N 2.99Å
541	W	91.6	Very high	91.2	Very high	22 Å²	22	52.7 Å²	52.7	8%	0.083	29%	0.286	C	S	.	.	H	α-helix	trans	-64.2	-36.9	-179.6	-73.9	106.7	0	0	0	113.4	Q491 K492 I495 V530 A533 S536 M544 L545	Q491-W541 HydrophobicContact CB-CB 3.85Å; Q491-W541 VanDerWaalsContact OE1-CB 3.24Å; K492-W541 HydrophobicContact CD-CZ2 4.15Å; K492-W541 HydrophobicContact CG-CD2 3.68Å; K492-W541 HydrophobicContact CG-CE3 4Å; K492-W541 HydrophobicContact CG-CG 4.23Å; K492-W541 HydrophobicContact CG-CH2 4.11Å; K492-W541 HydrophobicContact CG-CZ2 3.79Å; K492-W541 HydrophobicContact CG-CZ3 4.2Å; I495-W541 HydrophobicContact CG1-CE3 4.12Å; I495-W541 HydrophobicContact CG1-CZ3 4.11Å; V530-W541 HydrophobicContact CB-CH2 3.84Å; V530-W541 HydrophobicContact CB-CZ2 4.38Å; V530-W541 HydrophobicContact CG1-CH2 3.59Å; V530-W541 HydrophobicContact CG1-CZ2 4.38Å; V530-W541 HydrophobicContact CG1-CZ3 3.98Å; A533-W541 HydrophobicContact CB-CH2 4.42Å; S536-W541 VanDerWaalsContact OG-CE2 3.31Å; S536-W541 WeakPolarHBondContact OG-CH2 3.48Å; S536-W541 WeakPolarHBondContact OG-CZ2 3.34Å; W541-M544 WeakPolarHBondContact O-CB 3.37Å; W541-M544 PolarHBondContact O-N 3.35Å; W541-L545 PolarHBondContact O-N 3.37Å
542	K	89.7	Confident	90.7	Very high	85 Å²	85	54.8 Å²	54.8	37%	0.37	30%	0.3	S	S	.	.	H	α-helix	trans	-61.9	-47.3	173.3	-174.2	171.2	-179.3	168.4	0	112.3	G540 M544 L545 E546	G540-K542 PolarHBondContact O-N 2.82Å; K542-M544 PolarHBondContact O-N 3.5Å; K542-L545 WeakPolarHBondContact O-CB 2.92Å; K542-L545 PolarHBondContact O-N 3.15Å; K542-L545 VanDerWaalsContact O-N 3.17Å; K542-E546 PolarHBondContact O-N 3.29Å; K542-E546 VanDerWaalsContact O-N 3.14Å
543	G	91.3	Very high	90.4	Very high	16 Å²	16	59.8 Å²	59.8	17%	0.165	33%	0.331	C	S	.	.	H	α-helix	trans	-62	-34.2	176.2	0	0	0	0	0	112.4	G540 E546 E547	G540-G543 PolarHBondContact O-N 2.93Å; G543-E546 PolarHBondContact O-N 3.25Å; G543-E547 PolarHBondContact O-N 2.79Å; G543-E547 VanDerWaalsContact O-N 3.09Å
544	M	92.9	Very high	90.3	Very high	2 Å²	2	59.5 Å²	59.5	1%	0.01	33%	0.326	C	S	.	.	H	α-helix	trans	-65.4	-41.2	174.7	-167.1	62.5	-122.6	0	0	112.5	I495 F532 R535 I539 G540 W541 K542 E546 E547 V548 L554	I495-M544 HydrophobicContact CD1-CB 4.3Å; I495-M544 HydrophobicContact CD1-CG 3.84Å; F532-M544 HydrophobicContact CB-CE 3.94Å; F532-M544 HydrophobicContact CB-CG 3.73Å; F532-M544 HydrophobicContact CB-SD 3.59Å; F532-M544 VanDerWaalsContact CB-SD 3.59Å; F532-M544 HydrophobicContact CD1-CE 3.68Å; F532-M544 HydrophobicContact CD1-SD 4.33Å; F532-M544 HydrophobicContact CD2-CE 4.1Å; F532-M544 HydrophobicContact CE1-CE 4.12Å; F532-M544 HydrophobicContact CG-CE 3.66Å; F532-M544 HydrophobicContact CG-CG 4.27Å; F532-M544 HydrophobicContact CG-SD 4.03Å; R535-M544 HydrophobicContact CB-SD 3.81Å; I539-M544 HydrophobicContact CD1-CB 4.4Å; I539-M544 HydrophobicContact CD1-SD 4.2Å; G540-M544 PolarHBondContact O-N 2.99Å; W541-M544 WeakPolarHBondContact O-CB 3.37Å; W541-M544 PolarHBondContact O-N 3.35Å; K542-M544 PolarHBondContact O-N 3.5Å; M544-E546 VanDerWaalsContact C-N 3.33Å; M544-E546 PolarHBondContact O-N 3.29Å; M544-E547 HydrophobicContact CE-CB 4.21Å; M544-E547 PolarHBondContact O-N 2.86Å; M544-V548 HydrophobicContact CE-CG2 3.8Å; M544-V548 WeakPolarHBondContact O-CG2 3.42Å; M544-V548 PolarHBondContact O-N 2.99Å; M544-L554 HydrophobicContact CE-CD2 3.48Å; M544-L554 VanDerWaalsContact CE-CD2 3.48Å; M544-L554 HydrophobicContact CE-CG 4.47Å
545	L	90.9	Very high	90.3	Very high	1 Å²	1	56 Å²	56	1%	0.005	31%	0.309	C	S	.	.	H	α-helix	trans	-61.4	-41.5	174.5	-72.2	166.6	0	0	0	111.8	I482 Q491 L494 I495 L502 W541 K542 E547 V548 V549	I482-L545 HydrophobicContact CD1-CB 4.37Å; I482-L545 HydrophobicContact CG1-CB 4.45Å; I482-L545 HydrophobicContact CG1-CD1 4.42Å; I482-L545 HydrophobicContact CG2-CB 4.29Å; Q491-L545 HydrophobicContact CB-CD1 3.97Å; Q491-L545 HydrophobicContact CG-CD1 4.1Å; L494-L545 HydrophobicContact CB-CD1 4.16Å; L494-L545 HydrophobicContact CB-CD2 3.6Å; L494-L545 HydrophobicContact CD1-CD1 4.2Å; I495-L545 HydrophobicContact CD1-CD2 3.66Å; I495-L545 HydrophobicContact CD1-CG 4.05Å; I495-L545 HydrophobicContact CG1-CD2 3.98Å; L502-L545 HydrophobicContact CD1-CD2 4.44Å; W541-L545 PolarHBondContact O-N 3.37Å; K542-L545 WeakPolarHBondContact O-CB 2.92Å; K542-L545 PolarHBondContact O-N 3.15Å; K542-L545 VanDerWaalsContact O-N 3.17Å; L545-E547 VanDerWaalsContact C-N 3.33Å; L545-E547 PolarHBondContact O-N 3.22Å; L545-V548 PolarHBondContact O-N 2.89Å; L545-V549 WeakPolarHBondContact O-CG2 3.28Å; L545-V549 PolarHBondContact O-N 2.98Å
546	E	90.6	Very high	90.1	Very high	108 Å²	108	50.8 Å²	50.8	51%	0.505	29%	0.29	S	S	.	.	H	α-helix	trans	-61.5	-40.7	176.3	-68.7	172.2	-173.4	0	0	111.8	K542 G543 M544 V549 K550	K542-E546 PolarHBondContact O-N 3.29Å; K542-E546 VanDerWaalsContact O-N 3.14Å; G543-E546 PolarHBondContact O-N 3.25Å; M544-E546 VanDerWaalsContact C-N 3.33Å; M544-E546 PolarHBondContact O-N 3.29Å; E546-V549 PolarHBondContact O-N 3.31Å; E546-K550 VanDerWaalsContact O-CB 3.26Å; E546-K550 WeakPolarHBondContact O-CB 3.39Å; E546-K550 PolarHBondContact O-N 3.12Å
547	E	91.7	Very high	89.5	Confident	73 Å²	73	53 Å²	53	34%	0.341	30%	0.3	S	S	.	.	H	α-helix	trans	-67.1	-41.6	175.4	-79.7	-69.3	133.4	0	0	112.6	I539 G543 M544 L545 V549 K550 D551 L554	I539-E547 HydrophobicContact CD1-CG 4.21Å; G543-E547 PolarHBondContact O-N 2.79Å; G543-E547 VanDerWaalsContact O-N 3.09Å; M544-E547 HydrophobicContact CE-CB 4.21Å; M544-E547 PolarHBondContact O-N 2.86Å; L545-E547 VanDerWaalsContact C-N 3.33Å; L545-E547 PolarHBondContact O-N 3.22Å; E547-V549 VanDerWaalsContact C-N 3.27Å; E547-V549 PolarHBondContact O-N 3.03Å; E547-K550 PolarHBondContact O-N 3.14Å; E547-K550 IonicContact OE1-NZ 3.68Å; E547-K550 PolarHBondContact OE1-NZ 3.45Å; E547-D551 PolarHBondContact O-N 3.07Å; E547-L554 HydrophobicContact CB-CD2 4.2Å
548	V	90.8	Very high	88.8	Confident	3 Å²	3	49.7 Å²	49.7	2%	0.018	27%	0.272	C	S	.	.	H	α-helix	trans	-59.8	-38.9	174.4	170.6	0	0	0	0	111.6	I495 L502 Y516 F532 M544 L545 L554	I495-V548 HydrophobicContact CD1-CG2 4.16Å; L502-V548 HydrophobicContact CD1-CG1 4.16Å; Y516-V548 WeakPolarHBondContact OH-CG1 3.45Å; F532-V548 HydrophobicContact CD2-CG2 4.44Å; F532-V548 HydrophobicContact CE2-CG2 4.02Å; F532-V548 HydrophobicContact CZ-CG2 4.4Å; M544-V548 HydrophobicContact CE-CG2 3.8Å; M544-V548 WeakPolarHBondContact O-CG2 3.42Å; M544-V548 PolarHBondContact O-N 2.99Å; L545-V548 PolarHBondContact O-N 2.89Å; V548-L554 HydrophobicContact CB-CD2 4.48Å; V548-L554 HydrophobicContact CG2-CD2 3.94Å
549	V	89.1	Confident	88.1	Confident	26 Å²	26	49.6 Å²	49.6	16%	0.158	27%	0.273	C	S	.	.	H	α-helix	trans	-67.6	-41.2	177	168.1	0	0	0	0	111.3	I482 R499 L502 L503 L545 E546 E547	I482-V549 HydrophobicContact CD1-CG2 3.87Å; R499-V549 PolarHBondContact NE-O 3.02Å; R499-V549 PolarHBondContact NH2-O 3.27Å; L502-V549 HydrophobicContact CB-CG2 3.72Å; L502-V549 HydrophobicContact CD1-CG2 3.99Å; L503-V549 HydrophobicContact CD1-CG1 4.46Å; L503-V549 HydrophobicContact CD2-CG1 3.37Å; L503-V549 HydrophobicContact CG-CG1 3.81Å; L545-V549 WeakPolarHBondContact O-CG2 3.28Å; L545-V549 PolarHBondContact O-N 2.98Å; E546-V549 PolarHBondContact O-N 3.31Å; E547-V549 VanDerWaalsContact C-N 3.27Å; E547-V549 PolarHBondContact O-N 3.03Å
550	K	90.3	Very high	87.4	Confident	150 Å²	150	51.5 Å²	51.5	65%	0.652	29%	0.285	S	S	*	.	H	α-helix	trans	-74.9	-46	-174	-175.7	-178.8	170.4	-164.5	0	113.3	E546 E547 P552	E546-K550 VanDerWaalsContact O-CB 3.26Å; E546-K550 WeakPolarHBondContact O-CB 3.39Å; E546-K550 PolarHBondContact O-N 3.12Å; E547-K550 PolarHBondContact O-N 3.14Å; E547-K550 IonicContact OE1-NZ 3.68Å; E547-K550 PolarHBondContact OE1-NZ 3.45Å; K550-P552 VanDerWaalsContact O-CD 3.31Å; K550-P552 WeakPolarHBondContact O-CD 3.49Å
551	D	90.1	Very high	87.3	Confident	51 Å²	51	50.3 Å²	50.3	27%	0.273	27%	0.27	S	S	.	.			trans	-101.4	104.9	-177.7	-179.1	4.8	0	0	0	112	E547 T553 L554	E547-D551 PolarHBondContact O-N 3.07Å; D551-T553 PolarHBondContact O-N 2.92Å; D551-T553 VanDerWaalsContact O-N 3.16Å; D551-T553 WeakPolarHBondContact OD1-CA 3.26Å; D551-T553 PolarHBondContact OD1-N 3.5Å; D551-T553 PolarHBondContact OD1-OG1 3.38Å; D551-L554 HydrophobicContact CB-CB 4.08Å; D551-L554 WeakPolarHBondContact O-CB 3.35Å; D551-L554 PolarHBondContact O-N 3.33Å
552	P	84.7	Confident	87.2	Confident	46 Å²	46	50.4 Å²	50.4	30%	0.299	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-12.6	177.1	21.4	-28.6	0	0	0	115.6	K550 P575	K550-P552 VanDerWaalsContact O-CD 3.31Å; K550-P552 WeakPolarHBondContact O-CD 3.49Å; P552-P575 HydrophobicContact CB-CG 3.95Å
553	T	86.1	Confident	87.3	Confident	110 Å²	110	48.4 Å²	48.4	68%	0.675	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.9	2.2	-177.8	63.1	0	0	0	0	112.8	D551 S555	D551-T553 PolarHBondContact O-N 2.92Å; D551-T553 VanDerWaalsContact O-N 3.16Å; D551-T553 WeakPolarHBondContact OD1-CA 3.26Å; D551-T553 PolarHBondContact OD1-N 3.5Å; D551-T553 PolarHBondContact OD1-OG1 3.38Å; T553-S555 PolarHBondContact O-N 3.34Å
554	L	90	Very high	87.3	Confident	15 Å²	15	49.9 Å²	49.9	8%	0.079	28%	0.284	C	S	.	.			trans	-65.8	122.8	-177.7	-161.9	62.4	0	0	0	111	F532 M544 E547 V548 D551	F532-L554 HydrophobicContact CE1-CD2 4.34Å; F532-L554 HydrophobicContact CE1-CG 3.91Å; F532-L554 HydrophobicContact CZ-CD2 4.49Å; F532-L554 HydrophobicContact CZ-CG 4.18Å; M544-L554 HydrophobicContact CE-CD2 3.48Å; M544-L554 VanDerWaalsContact CE-CD2 3.48Å; M544-L554 HydrophobicContact CE-CG 4.47Å; E547-L554 HydrophobicContact CB-CD2 4.2Å; V548-L554 HydrophobicContact CB-CD2 4.48Å; V548-L554 HydrophobicContact CG2-CD2 3.94Å; D551-L554 HydrophobicContact CB-CB 4.08Å; D551-L554 WeakPolarHBondContact O-CB 3.35Å; D551-L554 PolarHBondContact O-N 3.33Å
555	S	87.9	Confident	87.3	Confident	16 Å²	16	49.9 Å²	49.9	11%	0.112	28%	0.284	C	S	.	.			trans	-127.8	139.7	-177.7	-167.3	0	0	0	0	111	T553 I557 T573	T553-S555 PolarHBondContact O-N 3.34Å; S555-I557 PolarHBondContact O-N 3.19Å; S555-T573 PolarHBondContact OG-OG1 2.89Å
556	P	86.1	Confident	87.4	Confident	4 Å²	4	53.6 Å²	53.6	3%	0.026	30%	0.3	C	S	.	.			trans	-85	55.7	-174.6	38.1	-41.8	0	0	0	111.5	M520 T523 P531 F532 I569	M520-P556 HydrophobicContact CE-CB 4.49Å; M520-P556 HydrophobicContact CE-CG 3.52Å; M520-P556 HydrophobicContact SD-CB 4.25Å; M520-P556 HydrophobicContact SD-CG 3.73Å; T523-P556 HydrophobicContact CG2-CB 4.09Å; T523-P556 HydrophobicContact CG2-CG 4.43Å; T523-P556 WeakPolarHBondContact CG2-O 2.91Å; T523-P556 VanDerWaalsContact OG1-CG 3.27Å; T523-P556 WeakPolarHBondContact OG1-CG 3.08Å; T523-P556 PolarHBondContact OG1-O 2.99Å; P531-P556 HydrophobicContact CB-CB 3.83Å; P531-P556 HydrophobicContact CB-CG 4.43Å; F532-P556 HydrophobicContact CD1-CB 4.06Å; F532-P556 HydrophobicContact CD2-CB 4.18Å; F532-P556 VanDerWaalsContact CE1-CA 3.46Å; F532-P556 HydrophobicContact CE1-CB 3.73Å; F532-P556 HydrophobicContact CE2-CB 3.85Å; F532-P556 HydrophobicContact CE2-CG 4.49Å; F532-P556 HydrophobicContact CG-CB 4.29Å; F532-P556 HydrophobicContact CZ-CB 3.63Å; F532-P556 HydrophobicContact CZ-CG 4.22Å; P556-I569 HydrophobicContact CG-CG2 4.19Å
557	I	77.8	Confident	87.5	Confident	52 Å²	52	53.1 Å²	53.1	27%	0.267	30%	0.301	S	S	.	.			trans	-87.8	124.2	-175	-63.4	174.1	0	0	0	110	S555 K566 V570	S555-I557 PolarHBondContact O-N 3.19Å; I557-K566 HydrophobicContact CD1-CG 4.25Å; I557-K566 HydrophobicContact CG1-CG 4.4Å; I557-K566 HydrophobicContact CG2-CD 3.59Å; I557-K566 HydrophobicContact CG2-CG 3.85Å; I557-V570 HydrophobicContact CD1-CG2 3.41Å; I557-V570 VanDerWaalsContact CD1-CG2 3.41Å; I557-V570 HydrophobicContact CG1-CG2 4.42Å
558	C	76.3	Confident	87.7	Confident	19 Å²	19	49.8 Å²	49.8	13%	0.128	29%	0.285	C	S	.	.			trans	-110.3	159.1	169.8	-61.9	0	0	0	0	111	T527 D560 I561	T527-C558 HydrophobicContact CG2-CB 3.79Å; C558-D560 PolarHBondContact O-N 2.83Å; C558-I561 HydrophobicContact CB-CD1 4.41Å; C558-I561 HydrophobicContact CB-CG1 4.4Å; C558-I561 PolarHBondContact O-N 3.12Å
559	P	76.3	Confident	87.9	Confident	122 Å²	122	49.6 Å²	49.6	79%	0.792	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-29.3	176.4	-20.7	32.5	0	0	0	113.4	I561	P559-I561 VanDerWaalsContact C-N 3.26Å; P559-I561 PolarHBondContact O-N 2.8Å
560	D	79.2	Confident	88.1	Confident	127 Å²	127	51.1 Å²	51.1	68%	0.679	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-4.8	-172	-51.7	-44.2	0	0	0	114.1	C558	C558-D560 PolarHBondContact O-N 2.83Å
561	I	89.3	Confident	88.2	Confident	8 Å²	8	48.9 Å²	48.9	4%	0.041	28%	0.284	C	S	.	.	S	Bend	trans	-86.1	128	-179.8	-56	177.3	0	0	0	109.5	T523 F526 T527 C558 P559 V565 K566 I569	T523-I561 HydrophobicContact CG2-CD1 4.2Å; F526-I561 HydrophobicContact CB-CG1 4.24Å; F526-I561 HydrophobicContact CB-CG2 4.49Å; T527-I561 HydrophobicContact CG2-CD1 4.12Å; T527-I561 HydrophobicContact CG2-CG1 3.94Å; C558-I561 HydrophobicContact CB-CD1 4.41Å; C558-I561 HydrophobicContact CB-CG1 4.4Å; C558-I561 PolarHBondContact O-N 3.12Å; P559-I561 VanDerWaalsContact C-N 3.26Å; P559-I561 PolarHBondContact O-N 2.8Å; I561-V565 HydrophobicContact CG2-CB 3.87Å; I561-V565 HydrophobicContact CG2-CG1 3.8Å; I561-K566 HydrophobicContact CG2-CB 4.12Å; I561-I569 HydrophobicContact CD1-CD1 3.91Å; I561-I569 HydrophobicContact CG2-CD1 4.04Å
562	P	90.4	Very high	88.5	Confident	25 Å²	25	46.5 Å²	46.5	16%	0.162	27%	0.271	C	S	.	.			trans	-56.5	143.3	178	-24.9	33.8	0	0	0	112.6	E415 F526 V565 K566	E415-P562 HydrophobicContact CG-CG 4.41Å; E415-P562 WeakPolarHBondContact OE1-CG 3.23Å; F526-P562 VanDerWaalsContact CD1-CD 3.47Å; F526-P562 HydrophobicContact CD1-CG 3.9Å; F526-P562 HydrophobicContact CE1-CG 3.8Å; P562-V565 HydrophobicContact CB-CG2 4.34Å; P562-V565 PolarHBondContact O-N 3.44Å; P562-K566 WeakPolarHBondContact O-CB 3.4Å; P562-K566 PolarHBondContact O-N 3.13Å
563	G	90.6	Very high	88.9	Confident	42 Å²	42	44.7 Å²	44.7	43%	0.433	26%	0.259	S	S	.	.	H	α-helix	trans	-46.8	-51.3	-176.8	0	0	0	0	0	114.8	V565 K566 D567	G563-V565 VanDerWaalsContact C-N 3.34Å; G563-V565 PolarHBondContact O-N 2.86Å; G563-K566 WeakPolarHBondContact O-CB 3.16Å; G563-K566 PolarHBondContact O-N 2.81Å; G563-D567 PolarHBondContact O-N 3.29Å
564	P	91.3	Very high	89.1	Confident	48 Å²	48	44 Å²	44	31%	0.312	25%	0.247	S	C	.	.	H	α-helix	trans	-62.2	-37.2	179.1	-23.9	33.9	0	0	0	114.1	L568 N591	P564-L568 WeakPolarHBondContact O-CB 3.27Å; P564-L568 PolarHBondContact O-N 3.1Å; P564-L568 VanDerWaalsContact O-N 3.12Å; P564-N591 HydrophobicContact CB-CB 4.08Å; P564-N591 VanDerWaalsContact CB-CG 3.42Å; P564-N591 VanDerWaalsContact CB-OD1 3.24Å; P564-N591 WeakPolarHBondContact CB-OD1 3.4Å; P564-N591 HydrophobicContact CG-CB 4.48Å; P564-N591 VanDerWaalsContact CG-OD1 3.25Å; P564-N591 WeakPolarHBondContact CG-OD1 3.26Å
565	V	93.5	Very high	88.8	Confident	2 Å²	2	45.9 Å²	45.9	1%	0.012	26%	0.26	C	S	.	.	H	α-helix	trans	-72.5	-38.8	178.1	-178.7	0	0	0	0	110.2	Y419 L522 F526 I561 P562 G563 L568 I569	Y419-V565 HydrophobicContact CE1-CG2 4Å; Y419-V565 HydrophobicContact CE2-CG2 4.49Å; Y419-V565 WeakPolarHBondContact OH-CG2 3.4Å; L522-V565 HydrophobicContact CB-CG1 4.44Å; L522-V565 HydrophobicContact CD1-CG1 4.49Å; L522-V565 HydrophobicContact CD2-CG1 4.46Å; F526-V565 HydrophobicContact CD2-CG1 3.89Å; F526-V565 HydrophobicContact CE1-CG2 4.29Å; F526-V565 HydrophobicContact CE2-CG1 3.82Å; F526-V565 HydrophobicContact CE2-CG2 4.02Å; F526-V565 HydrophobicContact CZ-CG1 4.39Å; F526-V565 HydrophobicContact CZ-CG2 3.79Å; I561-V565 HydrophobicContact CG2-CB 3.87Å; I561-V565 HydrophobicContact CG2-CG1 3.8Å; P562-V565 HydrophobicContact CB-CG2 4.34Å; P562-V565 PolarHBondContact O-N 3.44Å; G563-V565 VanDerWaalsContact C-N 3.34Å; G563-V565 PolarHBondContact O-N 2.86Å; V565-L568 WeakPolarHBondContact O-CB 3.4Å; V565-L568 PolarHBondContact O-N 2.96Å; V565-I569 HydrophobicContact CG1-CD1 4.03Å; V565-I569 HydrophobicContact CG1-CG1 4.46Å; V565-I569 WeakPolarHBondContact O-CG1 3.12Å; V565-I569 PolarHBondContact O-N 3.09Å
566	K	93.9	Very high	88.7	Confident	79 Å²	79	51.6 Å²	51.6	34%	0.343	29%	0.289	S	S	.	.	H	α-helix	trans	-60.4	-44.8	174.6	175.4	170.6	168.1	158.3	0	111.7	I557 I561 P562 G563 L568 I569 V570	I557-K566 HydrophobicContact CD1-CG 4.25Å; I557-K566 HydrophobicContact CG1-CG 4.4Å; I557-K566 HydrophobicContact CG2-CD 3.59Å; I557-K566 HydrophobicContact CG2-CG 3.85Å; I561-K566 HydrophobicContact CG2-CB 4.12Å; P562-K566 WeakPolarHBondContact O-CB 3.4Å; P562-K566 PolarHBondContact O-N 3.13Å; G563-K566 WeakPolarHBondContact O-CB 3.16Å; G563-K566 PolarHBondContact O-N 2.81Å; K566-L568 VanDerWaalsContact C-N 3.29Å; K566-L568 PolarHBondContact O-N 3.4Å; K566-I569 PolarHBondContact O-N 2.81Å; K566-V570 WeakPolarHBondContact O-CG2 3.45Å; K566-V570 PolarHBondContact O-N 2.9Å; K566-V570 VanDerWaalsContact O-N 3.07Å
567	D	92.7	Very high	88.9	Confident	98 Å²	98	52.6 Å²	52.6	52%	0.524	30%	0.296	S	S	.	.	H	α-helix	trans	-63.3	-36.8	175	-70.9	-16.7	0	0	0	112.1	G563 K571	G563-D567 PolarHBondContact O-N 3.29Å; D567-K571 WeakPolarHBondContact O-CG 3.07Å; D567-K571 PolarHBondContact O-N 2.91Å
568	L	94.6	Very high	89.4	Confident	2 Å²	2	58.9 Å²	58.9	1%	0.01	32%	0.324	C	S	.	.	H	α-helix	trans	-66.3	-45.8	175.4	-179.2	59.4	0	0	0	111.8	L522 P564 V565 K566 V570 K571 L572 I579 V584 T587 L588	L522-L568 HydrophobicContact CD1-CD2 3.98Å; L522-L568 HydrophobicContact CD1-CG 4.25Å; P564-L568 WeakPolarHBondContact O-CB 3.27Å; P564-L568 PolarHBondContact O-N 3.1Å; P564-L568 VanDerWaalsContact O-N 3.12Å; V565-L568 WeakPolarHBondContact O-CB 3.4Å; V565-L568 PolarHBondContact O-N 2.96Å; K566-L568 VanDerWaalsContact C-N 3.29Å; K566-L568 PolarHBondContact O-N 3.4Å; L568-V570 VanDerWaalsContact C-N 3.31Å; L568-V570 PolarHBondContact O-N 2.88Å; L568-K571 PolarHBondContact O-N 2.75Å; L568-K571 VanDerWaalsContact O-N 3.11Å; L568-L572 HydrophobicContact CD1-CD1 4.19Å; L568-L572 HydrophobicContact CD1-CG 4.31Å; L568-L572 HydrophobicContact CG-CD1 3.96Å; L568-L572 VanDerWaalsContact O-CG 3.31Å; L568-L572 WeakPolarHBondContact O-CG 3.34Å; L568-L572 PolarHBondContact O-N 3.23Å; L568-I579 HydrophobicContact CD1-CD1 3.67Å; L568-V584 HydrophobicContact CD1-CG2 4.23Å; L568-V584 HydrophobicContact CD2-CG1 4.28Å; L568-T587 HydrophobicContact CB-CG2 4.5Å; L568-T587 HydrophobicContact CD1-CG2 4.27Å; L568-T587 HydrophobicContact CD2-CG2 4.25Å; L568-L588 HydrophobicContact CD2-CD2 3.9Å; L568-L588 HydrophobicContact CD2-CG 3.96Å
569	I	95	Very high	90.2	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-56.9	-46.2	175.9	-71.5	164.9	0	0	0	110.2	A519 L522 P556 I561 V565 K566 K571 L572 T573	A519-I569 HydrophobicContact CB-CG2 4.29Å; L522-I569 HydrophobicContact CB-CD1 4Å; L522-I569 HydrophobicContact CB-CG1 3.92Å; L522-I569 HydrophobicContact CD1-CG1 4.09Å; P556-I569 HydrophobicContact CG-CG2 4.19Å; I561-I569 HydrophobicContact CD1-CD1 3.91Å; I561-I569 HydrophobicContact CG2-CD1 4.04Å; V565-I569 HydrophobicContact CG1-CD1 4.03Å; V565-I569 HydrophobicContact CG1-CG1 4.46Å; V565-I569 WeakPolarHBondContact O-CG1 3.12Å; V565-I569 PolarHBondContact O-N 3.09Å; K566-I569 PolarHBondContact O-N 2.81Å; I569-K571 VanDerWaalsContact C-N 3.29Å; I569-K571 PolarHBondContact O-N 3.16Å; I569-L572 PolarHBondContact O-N 3.02Å; I569-L572 VanDerWaalsContact O-N 3.13Å; I569-T573 HydrophobicContact CG2-CG2 4.3Å; I569-T573 WeakPolarHBondContact O-CG2 3.19Å; I569-T573 PolarHBondContact O-N 3.37Å; I569-T573 PolarHBondContact O-OG1 3.11Å; I569-T573 VanDerWaalsContact O-OG1 3.1Å
570	V	93.5	Very high	91.1	Very high	58 Å²	58	57.6 Å²	57.6	35%	0.352	31%	0.313	S	S	.	.	H	α-helix	trans	-59.1	-39.1	177.1	171.4	0	0	0	0	112.2	I557 K566 L568 T573	I557-V570 HydrophobicContact CD1-CG2 3.41Å; I557-V570 VanDerWaalsContact CD1-CG2 3.41Å; I557-V570 HydrophobicContact CG1-CG2 4.42Å; K566-V570 WeakPolarHBondContact O-CG2 3.45Å; K566-V570 PolarHBondContact O-N 2.9Å; K566-V570 VanDerWaalsContact O-N 3.07Å; L568-V570 VanDerWaalsContact C-N 3.31Å; L568-V570 PolarHBondContact O-N 2.88Å; V570-T573 PolarHBondContact O-OG1 3.29Å
571	K	93.7	Very high	91.8	Very high	103 Å²	103	51.9 Å²	51.9	45%	0.448	28%	0.283	S	S	.	.	H	α-helix	trans	-68.1	-37.3	177.5	-71.8	172	-174.6	174.4	0	111.9	D567 L568 I569 P577 I579	D567-K571 WeakPolarHBondContact O-CG 3.07Å; D567-K571 PolarHBondContact O-N 2.91Å; L568-K571 PolarHBondContact O-N 2.75Å; L568-K571 VanDerWaalsContact O-N 3.11Å; I569-K571 VanDerWaalsContact C-N 3.29Å; I569-K571 PolarHBondContact O-N 3.16Å; K571-P577 WeakPolarHBondContact O-CB 3.27Å; K571-I579 HydrophobicContact CB-CG2 4.33Å
572	L	94.8	Very high	92	Very high	1 Å²	1	56.8 Å²	56.8	1%	0.005	31%	0.305	C	S	.	.	H	α-helix	trans	-76.8	-28.8	-177.5	-68.8	170.2	0	0	0	113.6	L515 F518 A519 L522 L568 I569 K574 I579 V584	L515-L572 HydrophobicContact CB-CD2 3.81Å; L515-L572 HydrophobicContact CD2-CD2 3.87Å; L515-L572 HydrophobicContact CG-CD2 4.27Å; F518-L572 HydrophobicContact CD1-CD1 3.88Å; A519-L572 HydrophobicContact CB-CB 3.66Å; A519-L572 HydrophobicContact CB-CD1 4.25Å; L522-L572 HydrophobicContact CD1-CD1 4.01Å; L568-L572 HydrophobicContact CD1-CD1 4.19Å; L568-L572 HydrophobicContact CD1-CG 4.31Å; L568-L572 HydrophobicContact CG-CD1 3.96Å; L568-L572 VanDerWaalsContact O-CG 3.31Å; L568-L572 WeakPolarHBondContact O-CG 3.34Å; L568-L572 PolarHBondContact O-N 3.23Å; I569-L572 PolarHBondContact O-N 3.02Å; I569-L572 VanDerWaalsContact O-N 3.13Å; L572-K574 VanDerWaalsContact C-N 3.34Å; L572-I579 HydrophobicContact CD2-CG2 3.7Å; L572-I579 HydrophobicContact CG-CG2 4.38Å; L572-V584 HydrophobicContact CD1-CG2 4.5Å; L572-V584 HydrophobicContact CD2-CG2 3.68Å
573	T	93.6	Very high	92.3	Very high	8 Å²	8	56.5 Å²	56.5	5%	0.049	31%	0.307	C	S	.	.	S	Bend	trans	-82.5	-8.4	179.6	51.8	0	0	0	0	114.1	Y516 A519 M520 S555 I569 V570	Y516-T573 HydrophobicContact CD2-CG2 4.32Å; Y516-T573 HydrophobicContact CE2-CG2 4.23Å; A519-T573 HydrophobicContact CB-CG2 3.68Å; M520-T573 HydrophobicContact CE-CG2 3.64Å; S555-T573 PolarHBondContact OG-OG1 2.89Å; I569-T573 HydrophobicContact CG2-CG2 4.3Å; I569-T573 WeakPolarHBondContact O-CG2 3.19Å; I569-T573 PolarHBondContact O-N 3.37Å; I569-T573 PolarHBondContact O-OG1 3.11Å; I569-T573 VanDerWaalsContact O-OG1 3.1Å; V570-T573 PolarHBondContact O-OG1 3.29Å
574	K	90.7	Very high	92.5	Very high	96 Å²	96	54.6 Å²	54.6	42%	0.417	29%	0.287	S	S	.	.	S	Bend	trans	-61.2	144.4	173.8	-73.3	-177.3	-179.9	-176.6	0	110.5	L572 N576 P577	L572-K574 VanDerWaalsContact C-N 3.34Å; K574-N576 PolarHBondContact O-N 2.72Å; K574-N576 VanDerWaalsContact O-N 3.09Å; K574-P577 WeakPolarHBondContact O-CD 3.46Å
575	P	84	Confident	92.7	Very high	53 Å²	53	52.7 Å²	52.7	34%	0.344	28%	0.275	S	S	.	.	S	Bend	trans	-55.3	-31.9	178.9	-27.7	34.2	0	0	0	114.7	P552	P552-P575 HydrophobicContact CB-CG 3.95Å
576	N	86	Confident	92.7	Very high	137 Å²	137	56.6 Å²	56.6	73%	0.733	29%	0.294	S	S	*	.	S	Bend	trans	-128.4	89.1	173.2	-70.7	-36.8	0	0	0	108.1	K574 E578	K574-N576 PolarHBondContact O-N 2.72Å; K574-N576 VanDerWaalsContact O-N 3.09Å; N576-E578 PolarHBondContact O-N 2.8Å
577	P	89.2	Confident	92.7	Very high	25 Å²	25	54.5 Å²	54.5	16%	0.162	29%	0.288	C	S	.	.			trans	-66.9	126.3	-178.4	25.5	-30.9	0	0	0	110.3	E512 L515 K571 K574 I579	E512-P577 HydrophobicContact CB-CG 3.88Å; L515-P577 HydrophobicContact CB-CG 4.33Å; L515-P577 HydrophobicContact CD1-CB 4.27Å; L515-P577 HydrophobicContact CD1-CG 3.78Å; K571-P577 WeakPolarHBondContact O-CB 3.27Å; K574-P577 WeakPolarHBondContact O-CD 3.46Å; P577-I579 HydrophobicContact CB-CG2 4.43Å; P577-I579 PolarHBondContact O-N 3.05Å
578	E	88.4	Confident	92.7	Very high	184 Å²	184	50 Å²	50	86%	0.86	26%	0.264	S	S	*	.	S	Bend	trans	-76	-4.5	177.5	-66.4	173.6	-174.5	0	0	113	N576	N576-E578 PolarHBondContact O-N 2.8Å
579	I	93.2	Very high	92.6	Very high	24 Å²	24	55.8 Å²	55.8	12%	0.123	29%	0.291	C	S	.	.			trans	-104	137	-176.9	-166	169.6	0	0	0	110.7	L515 L568 K571 L572 P577 V584	L515-I579 VanDerWaalsContact CD1-O 3.24Å; L515-I579 WeakPolarHBondContact CD1-O 3.22Å; L568-I579 HydrophobicContact CD1-CD1 3.67Å; K571-I579 HydrophobicContact CB-CG2 4.33Å; L572-I579 HydrophobicContact CD2-CG2 3.7Å; L572-I579 HydrophobicContact CG-CG2 4.38Å; P577-I579 HydrophobicContact CB-CG2 4.43Å; P577-I579 PolarHBondContact O-N 3.05Å; I579-V584 HydrophobicContact CD1-CG2 4.02Å; I579-V584 HydrophobicContact CG1-CG2 4.11Å; I579-V584 HydrophobicContact CG2-CG2 4.25Å
580	T	95	Very high	92.4	Very high	90 Å²	90	62.5 Å²	62.5	55%	0.552	33%	0.326	S	S	*	.			trans	-90.5	163.8	173.9	64	0	0	0	0	111	E582 G583 V584	T580-E582 PolarHBondContact O-N 3.21Å; T580-E582 VanDerWaalsContact O-N 3.17Å; T580-G583 WeakPolarHBondContact O-CA 3.36Å; T580-G583 PolarHBondContact O-N 3.45Å; T580-G583 PolarHBondContact OG1-N 2.87Å; T580-V584 WeakPolarHBondContact O-CG2 3.44Å; T580-V584 PolarHBondContact O-N 3.37Å
581	A	94.3	Very high	92.2	Very high	6 Å²	6	62.7 Å²	62.7	5%	0.05	33%	0.325	C	S	.	.	H	α-helix	trans	-56.8	-30.2	174.2	0	0	0	0	0	113.4	I429 Q430 L515 T585	I429-A581 HydrophobicContact CG2-CB 3.95Å; Q430-A581 HydrophobicContact CB-CB 4.04Å; L515-A581 HydrophobicContact CD2-CB 4.36Å; A581-T585 PolarHBondContact O-N 3.2Å; A581-T585 VanDerWaalsContact O-N 3.14Å; A581-T585 PolarHBondContact O-OG1 3.41Å
582	E	94.3	Very high	91.7	Very high	112 Å²	112	60.2 Å²	60.2	52%	0.523	32%	0.315	S	S	.	.	H	α-helix	trans	-67.6	-45.8	171.5	179.3	166	-154.9	0	0	111.9	Q430 T580 V584 T585 I586	Q430-E582 HydrophobicContact CG-CB 4.29Å; Q430-E582 VanDerWaalsContact NE2-CB 3.35Å; Q430-E582 VanDerWaalsContact NE2-CG 3.35Å; T580-E582 PolarHBondContact O-N 3.21Å; T580-E582 VanDerWaalsContact O-N 3.17Å; E582-V584 VanDerWaalsContact C-N 3.27Å; E582-V584 PolarHBondContact O-N 3.4Å; E582-T585 WeakPolarHBondContact O-CB 3.5Å; E582-T585 PolarHBondContact O-N 3.26Å; E582-I586 HydrophobicContact CG-CD1 4.07Å; E582-I586 WeakPolarHBondContact O-CG1 3.24Å; E582-I586 PolarHBondContact O-N 3.12Å
583	G	95.1	Very high	90.8	Very high	19 Å²	19	63.6 Å²	63.6	20%	0.196	34%	0.337	C	S	.	.	H	α-helix	trans	-61.3	-35.9	175.5	0	0	0	0	0	112.9	T580 T587	T580-G583 WeakPolarHBondContact O-CA 3.36Å; T580-G583 PolarHBondContact O-N 3.45Å; T580-G583 PolarHBondContact OG1-N 2.87Å; G583-T587 WeakPolarHBondContact O-CB 3.31Å; G583-T587 PolarHBondContact O-N 3.33Å; G583-T587 PolarHBondContact O-OG1 3.42Å
584	V	96.3	Very high	89.7	Confident	2 Å²	2	65.1 Å²	65.1	1%	0.012	35%	0.347	C	S	.	.	H	α-helix	trans	-60.1	-50.9	172.7	172.4	0	0	0	0	110.9	A426 L515 F518 L568 L572 I579 T580 E582 I586 T587 L588	A426-V584 HydrophobicContact CB-CG1 4.1Å; L515-V584 HydrophobicContact CD2-CG2 4.21Å; F518-V584 HydrophobicContact CD1-CG1 3.73Å; F518-V584 HydrophobicContact CE1-CG1 3.29Å; F518-V584 HydrophobicContact CZ-CG1 4.33Å; L568-V584 HydrophobicContact CD1-CG2 4.23Å; L568-V584 HydrophobicContact CD2-CG1 4.28Å; L572-V584 HydrophobicContact CD1-CG2 4.5Å; L572-V584 HydrophobicContact CD2-CG2 3.68Å; I579-V584 HydrophobicContact CD1-CG2 4.02Å; I579-V584 HydrophobicContact CG1-CG2 4.11Å; I579-V584 HydrophobicContact CG2-CG2 4.25Å; T580-V584 WeakPolarHBondContact O-CG2 3.44Å; T580-V584 PolarHBondContact O-N 3.37Å; E582-V584 VanDerWaalsContact C-N 3.27Å; E582-V584 PolarHBondContact O-N 3.4Å; V584-I586 VanDerWaalsContact C-N 3.34Å; V584-I586 PolarHBondContact O-N 2.86Å; V584-T587 WeakPolarHBondContact O-CB 3.49Å; V584-T587 PolarHBondContact O-N 3.35Å; V584-T587 VanDerWaalsContact O-N 3.13Å; V584-L588 HydrophobicContact CG1-CD1 4.34Å; V584-L588 PolarHBondContact O-N 2.88Å
585	T	95	Very high	88.5	Confident	8 Å²	8	66.5 Å²	66.5	5%	0.049	37%	0.368	C	S	.	.	H	α-helix	trans	-58.1	-46.9	179.5	-56.3	0	0	0	0	111	M423 N427 A581 E582 T587 L588 Q589	M423-T585 HydrophobicContact SD-CG2 3.77Å; N427-T585 WeakPolarHBondContact OD1-CG2 3.25Å; A581-T585 PolarHBondContact O-N 3.2Å; A581-T585 VanDerWaalsContact O-N 3.14Å; A581-T585 PolarHBondContact O-OG1 3.41Å; E582-T585 WeakPolarHBondContact O-CB 3.5Å; E582-T585 PolarHBondContact O-N 3.26Å; T585-T587 VanDerWaalsContact C-N 3.34Å; T585-T587 PolarHBondContact O-N 3.4Å; T585-L588 PolarHBondContact O-N 3.16Å; T585-Q589 WeakPolarHBondContact O-CB 3.43Å; T585-Q589 PolarHBondContact O-N 3.12Å
586	I	93.7	Very high	87.8	Confident	83 Å²	83	69.7 Å²	69.7	43%	0.426	38%	0.377	S	S	.	.	H	α-helix	trans	-61	-43	176.3	-66.5	166.9	0	0	0	111.1	E582 V584 L588 Q589 L590	E582-I586 HydrophobicContact CG-CD1 4.07Å; E582-I586 WeakPolarHBondContact O-CG1 3.24Å; E582-I586 PolarHBondContact O-N 3.12Å; V584-I586 VanDerWaalsContact C-N 3.34Å; V584-I586 PolarHBondContact O-N 2.86Å; I586-L588 PolarHBondContact O-N 3.33Å; I586-Q589 PolarHBondContact O-N 3.14Å; I586-Q589 VanDerWaalsContact O-N 3.16Å; I586-L590 HydrophobicContact CG2-CD1 3.86Å; I586-L590 HydrophobicContact CG2-CG 4.29Å; I586-L590 WeakPolarHBondContact O-CG 3.33Å; I586-L590 PolarHBondContact O-N 3.37Å
587	T	93.8	Very high	87	Confident	35 Å²	35	64.9 Å²	64.9	22%	0.215	36%	0.359	C	S	.	.	H	α-helix	trans	-62.5	-45.2	-179.9	-57.6	0	0	0	0	111.3	L568 G583 V584 T585 Q589 N591	L568-T587 HydrophobicContact CB-CG2 4.5Å; L568-T587 HydrophobicContact CD1-CG2 4.27Å; L568-T587 HydrophobicContact CD2-CG2 4.25Å; G583-T587 WeakPolarHBondContact O-CB 3.31Å; G583-T587 PolarHBondContact O-N 3.33Å; G583-T587 PolarHBondContact O-OG1 3.42Å; V584-T587 WeakPolarHBondContact O-CB 3.49Å; V584-T587 PolarHBondContact O-N 3.35Å; V584-T587 VanDerWaalsContact O-N 3.13Å; T585-T587 VanDerWaalsContact C-N 3.34Å; T585-T587 PolarHBondContact O-N 3.4Å; T587-Q589 VanDerWaalsContact C-N 3.29Å; T587-Q589 PolarHBondContact O-N 3Å; T587-N591 PolarHBondContact O-N 3.48Å; T587-N591 PolarHBondContact O-ND2 3.28Å
588	L	93.4	Very high	86.4	Confident	3 Å²	3	64.1 Å²	64.1	2%	0.016	35%	0.354	C	S	.	.	H	α-helix	trans	-63.2	-38.5	174.9	-70.5	172.8	0	0	0	111.1	Y419 M423 A426 F518 L522 L568 V584 T585 I586 N591 Q592	Y419-L588 HydrophobicContact CD1-CD2 4.3Å; Y419-L588 HydrophobicContact CE1-CD2 4.27Å; M423-L588 HydrophobicContact CE-CB 3.77Å; M423-L588 HydrophobicContact SD-CB 4.28Å; A426-L588 HydrophobicContact CB-CD1 3.88Å; F518-L588 HydrophobicContact CE1-CD1 4.16Å; F518-L588 HydrophobicContact CZ-CD1 3.96Å; L522-L588 HydrophobicContact CD2-CD2 4.38Å; L568-L588 HydrophobicContact CD2-CD2 3.9Å; L568-L588 HydrophobicContact CD2-CG 3.96Å; V584-L588 HydrophobicContact CG1-CD1 4.34Å; V584-L588 PolarHBondContact O-N 2.88Å; T585-L588 PolarHBondContact O-N 3.16Å; I586-L588 PolarHBondContact O-N 3.33Å; L588-N591 CarbonylContact O-C 3.56Å; L588-N591 PolarHBondContact O-N 3.32Å; L588-Q592 PolarHBondContact O-N 2.99Å
589	Q	90.8	Very high	85.6	Confident	125 Å²	125	58.2 Å²	58.2	58%	0.584	33%	0.33	S	S	*	.	H	α-helix	trans	-69.7	-37.6	-175.4	-168	163.3	15.4	0	0	112.1	M423 T585 I586 T587 N591 Q592	M423-Q589 HydrophobicContact CE-CB 3.52Å; M423-Q589 HydrophobicContact CE-CG 4.12Å; M423-Q589 VanDerWaalsContact CE-N 3.26Å; M423-Q589 HydrophobicContact SD-CB 4.5Å; T585-Q589 WeakPolarHBondContact O-CB 3.43Å; T585-Q589 PolarHBondContact O-N 3.12Å; I586-Q589 PolarHBondContact O-N 3.14Å; I586-Q589 VanDerWaalsContact O-N 3.16Å; T587-Q589 VanDerWaalsContact C-N 3.29Å; T587-Q589 PolarHBondContact O-N 3Å; Q589-N591 PolarHBondContact O-N 3.37Å; Q589-Q592 PolarHBondContact O-N 3.4Å
590	L	91.3	Very high	84.7	Confident	140 Å²	140	61.4 Å²	61.4	73%	0.733	35%	0.348	S	S	*	.	H	α-helix	trans	-68.4	-23.5	176.1	-70.6	171.9	0	0	0	113.3	I586	I586-L590 HydrophobicContact CG2-CD1 3.86Å; I586-L590 HydrophobicContact CG2-CG 4.29Å; I586-L590 WeakPolarHBondContact O-CG 3.33Å; I586-L590 PolarHBondContact O-N 3.37Å
591	N	89.9	Confident	83.7	Confident	62 Å²	62	57.6 Å²	57.6	33%	0.332	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.3	2.8	-178.6	-67.9	-78.7	0	0	0	113	Y419 P564 T587 L588 Q589	Y419-N591 HydrophobicContact CE1-CB 3.9Å; P564-N591 HydrophobicContact CB-CB 4.08Å; P564-N591 VanDerWaalsContact CB-CG 3.42Å; P564-N591 VanDerWaalsContact CB-OD1 3.24Å; P564-N591 WeakPolarHBondContact CB-OD1 3.4Å; P564-N591 HydrophobicContact CG-CB 4.48Å; P564-N591 VanDerWaalsContact CG-OD1 3.25Å; P564-N591 WeakPolarHBondContact CG-OD1 3.26Å; T587-N591 PolarHBondContact O-N 3.48Å; T587-N591 PolarHBondContact O-ND2 3.28Å; L588-N591 CarbonylContact O-C 3.56Å; L588-N591 PolarHBondContact O-N 3.32Å; Q589-N591 PolarHBondContact O-N 3.37Å
592	Q	83.6	Confident	82.7	Confident	52 Å²	52	59.3 Å²	59.3	24%	0.243	33%	0.332	C	S	.	.			trans	-69	126.5	-179.4	-166.2	177.2	1.3	0	0	110.1	L588 Q589 T594	L588-Q592 PolarHBondContact O-N 2.99Å; Q589-Q592 PolarHBondContact O-N 3.4Å; Q592-T594 VanDerWaalsContact C-N 3.33Å; Q592-T594 VanDerWaalsContact CG-O 3.27Å; Q592-T594 WeakPolarHBondContact CG-O 3.44Å; Q592-T594 PolarHBondContact NE2-O 3.03Å; Q592-T594 PolarHBondContact O-N 3.46Å
593	P	75	Confident	81.9	Confident	71 Å²	71	58.3 Å²	58.3	46%	0.461	33%	0.33	S	S	.	.	S	Bend	trans	-67.9	-31.2	-175.4	-5.1	10.3	0	0	0	113.4	E416 Y419	E416-P593 HydrophobicContact CG-CB 4.03Å; E416-P593 HydrophobicContact CG-CG 3.92Å; Y419-P593 HydrophobicContact CD2-CG 4.11Å; Y419-P593 HydrophobicContact CE2-CG 4.42Å
594	T	70.4	Confident	81	Confident	41 Å²	41	62.9 Å²	62.9	25%	0.252	34%	0.344	S	S	.	.			trans	-142.7	154.5	-176.8	66.9	0	0	0	0	112	E416 Q592	E416-T594 HydrophobicContact CG-CG2 4.15Å; E416-T594 VanDerWaalsContact OE1-CG2 3.27Å; E416-T594 WeakPolarHBondContact OE1-CG2 3.13Å; E416-T594 VanDerWaalsContact OE2-CG2 3.29Å; E416-T594 WeakPolarHBondContact OE2-CG2 3.29Å; E416-T594 PolarHBondContact OE2-OG1 3.39Å; Q592-T594 VanDerWaalsContact C-N 3.33Å; Q592-T594 VanDerWaalsContact CG-O 3.27Å; Q592-T594 WeakPolarHBondContact CG-O 3.44Å; Q592-T594 PolarHBondContact NE2-O 3.03Å; Q592-T594 PolarHBondContact O-N 3.46Å
595	S	66.1	Low	80	Confident	124 Å²	124	66.1 Å²	66.1	87%	0.867	36%	0.364	S	S	*	.	S	Bend	trans	-91.5	6.9	174.7	57.9	0	0	0	0	113.8
596	K	68.6	Low	79	Confident	120 Å²	120	71.3 Å²	71.3	52%	0.522	39%	0.389	S	S	.	.			trans	-86.1	151	-174.1	-67.6	-171.2	176.3	-172.6	0	111.6	I420 I601	I420-K596 WeakPolarHBondContact CD1-O 3.49Å; K596-I601 HydrophobicContact CB-CG1 4.49Å
597	G	70	Confident	78.4	Confident	36 Å²	36	73.1 Å²	73.1	37%	0.371	40%	0.396	S	S	.	.			trans	-74	156.3	177.2	0	0	0	0	0	112.3	V599 D600 I601	G597-V599 PolarHBondContact O-N 3.01Å; G597-D600 PolarHBondContact O-N 3.32Å; G597-D600 VanDerWaalsContact O-N 3.11Å; G597-I601 PolarHBondContact O-N 3.16Å
598	I	75.9	Confident	77.5	Confident	9 Å²	9	75.8 Å²	75.8	5%	0.046	41%	0.409	C	S	.	.	H	α-helix	trans	-55.9	-36.2	179	-177.1	151.7	0	0	0	113.4	I417 I420 L421 N452 W453 I601 L602	I417-I598 HydrophobicContact CB-CD1 4.3Å; I417-I598 HydrophobicContact CD1-CG1 4.35Å; I417-I598 HydrophobicContact CG1-CD1 4.12Å; I417-I598 HydrophobicContact CG1-CG1 3.99Å; I417-I598 HydrophobicContact CG2-CD1 3.52Å; I417-I598 HydrophobicContact CG2-CG1 4.33Å; I420-I598 HydrophobicContact CD1-CB 4.23Å; I420-I598 HydrophobicContact CG2-CB 4.3Å; L421-I598 HydrophobicContact CD2-CD1 4.44Å; N452-I598 WeakPolarHBondContact O-CG2 3.5Å; W453-I598 HydrophobicContact CB-CB 4.46Å; W453-I598 HydrophobicContact CB-CD1 3.78Å; W453-I598 HydrophobicContact CB-CG1 4.03Å; W453-I598 HydrophobicContact CB-CG2 3.59Å; W453-I598 HydrophobicContact CD2-CD1 4.43Å; W453-I598 HydrophobicContact CE3-CD1 4.24Å; W453-I598 HydrophobicContact CG-CD1 4.3Å; W453-I598 HydrophobicContact CG-CG1 4.38Å; W453-I598 HydrophobicContact CG-CG2 4.49Å; I598-I601 PolarHBondContact O-N 2.89Å; I598-L602 HydrophobicContact CG1-CD1 4.01Å; I598-L602 HydrophobicContact CG1-CG 4.36Å; I598-L602 WeakPolarHBondContact O-CB 3.48Å; I598-L602 WeakPolarHBondContact O-CG 3.42Å; I598-L602 PolarHBondContact O-N 3.36Å
599	V	73	Confident	76.6	Confident	60 Å²	60	83 Å²	83	36%	0.364	44%	0.437	S	S	.	.	H	α-helix	trans	-65	-42.7	178.2	178.1	0	0	0	0	111	G597 I601 L602 L603	G597-V599 PolarHBondContact O-N 3.01Å; V599-I601 VanDerWaalsContact C-N 3.3Å; V599-I601 PolarHBondContact O-N 3.17Å; V599-L602 PolarHBondContact O-N 3.31Å; V599-L603 HydrophobicContact CG1-CD1 3.86Å; V599-L603 HydrophobicContact CG1-CG 4.3Å; V599-L603 WeakPolarHBondContact O-CB 3.46Å; V599-L603 VanDerWaalsContact O-CG 3.25Å; V599-L603 WeakPolarHBondContact O-CG 3.15Å; V599-L603 PolarHBondContact O-N 2.96Å
600	D	72.8	Confident	76	Confident	92 Å²	92	82.3 Å²	82.3	49%	0.492	44%	0.435	S	S	.	.	H	α-helix	trans	-64.8	-38.8	178.6	-59.1	-36.7	0	0	0	111.1	G597 K604	G597-D600 PolarHBondContact O-N 3.32Å; G597-D600 VanDerWaalsContact O-N 3.11Å; D600-K604 WeakPolarHBondContact O-CB 3.11Å; D600-K604 PolarHBondContact O-N 3.29Å
601	I	75.5	Confident	75.4	Confident	10 Å²	10	79.5 Å²	79.5	5%	0.051	42%	0.424	C	S	.	.	H	α-helix	trans	-65.4	-50.5	177.2	-63.6	164.1	0	0	0	109.8	N414 E416 I417 I420 K596 G597 I598 V599 L603 K604 T605	N414-I601 VanDerWaalsContact ND2-CG2 3.28Å; N414-I601 WeakPolarHBondContact ND2-CG2 3.2Å; E416-I601 HydrophobicContact CB-CD1 3.79Å; E416-I601 WeakPolarHBondContact OE2-CD1 3.39Å; I417-I601 HydrophobicContact CD1-CG2 4.07Å; I417-I601 HydrophobicContact CG1-CG2 4.06Å; I420-I601 HydrophobicContact CD1-CD1 3.52Å; K596-I601 HydrophobicContact CB-CG1 4.49Å; G597-I601 PolarHBondContact O-N 3.16Å; I598-I601 PolarHBondContact O-N 2.89Å; V599-I601 VanDerWaalsContact C-N 3.3Å; V599-I601 PolarHBondContact O-N 3.17Å; I601-L603 PolarHBondContact O-N 2.75Å; I601-K604 PolarHBondContact O-N 3.08Å; I601-T605 PolarHBondContact O-N 2.92Å; I601-T605 PolarHBondContact O-OG1 2.71Å
602	L	73.2	Confident	74.9	Confident	41 Å²	41	81.3 Å²	81.3	22%	0.215	43%	0.43	C	S	.	.	H	α-helix	trans	-61	-42.7	179.3	-73.8	172.8	0	0	0	112.2	I417 W453 I598 V599 T605 M606	I417-L602 HydrophobicContact CD1-CD2 3.72Å; I417-L602 HydrophobicContact CD1-CG 4.02Å; W453-L602 HydrophobicContact CD2-CD1 4.19Å; W453-L602 HydrophobicContact CG-CD1 4.41Å; W453-L602 HydrophobicContact CZ2-CD1 4.14Å; I598-L602 HydrophobicContact CG1-CD1 4.01Å; I598-L602 HydrophobicContact CG1-CG 4.36Å; I598-L602 WeakPolarHBondContact O-CB 3.48Å; I598-L602 WeakPolarHBondContact O-CG 3.42Å; I598-L602 PolarHBondContact O-N 3.36Å; V599-L602 PolarHBondContact O-N 3.31Å; L602-T605 PolarHBondContact O-N 3.25Å; L602-M606 WeakPolarHBondContact O-CB 3.21Å; L602-M606 WeakPolarHBondContact O-CG 3.42Å; L602-M606 PolarHBondContact O-N 2.93Å
603	L	75.9	Confident	74.5	Confident	92 Å²	92	82.3 Å²	82.3	48%	0.482	44%	0.437	S	S	.	.	H	α-helix	trans	-60.7	-46.4	176.1	-75	171.5	0	0	0	111.1	V599 I601 T605 M606 E607	V599-L603 HydrophobicContact CG1-CD1 3.86Å; V599-L603 HydrophobicContact CG1-CG 4.3Å; V599-L603 WeakPolarHBondContact O-CB 3.46Å; V599-L603 VanDerWaalsContact O-CG 3.25Å; V599-L603 WeakPolarHBondContact O-CG 3.15Å; V599-L603 PolarHBondContact O-N 2.96Å; I601-L603 PolarHBondContact O-N 2.75Å; L603-T605 PolarHBondContact O-N 3.1Å; L603-M606 PolarHBondContact O-N 2.67Å; L603-E607 WeakPolarHBondContact O-CG 3.48Å; L603-E607 PolarHBondContact O-N 3.32Å
604	K	77.6	Confident	74.8	Confident	115 Å²	115	85.4 Å²	85.4	50%	0.5	45%	0.445	S	S	.	.	H	α-helix	trans	-64.4	-39.2	177.8	-172.7	170.6	-178.6	-177.8	0	112.5	D600 I601 M606 E607 N608	D600-K604 WeakPolarHBondContact O-CB 3.11Å; D600-K604 PolarHBondContact O-N 3.29Å; I601-K604 PolarHBondContact O-N 3.08Å; K604-M606 VanDerWaalsContact C-N 3.34Å; K604-E607 PolarHBondContact O-N 2.89Å; K604-N608 WeakPolarHBondContact O-CB 3.36Å; K604-N608 PolarHBondContact O-N 3.49Å
605	T	75.1	Confident	75.5	Confident	70 Å²	70	89.5 Å²	89.5	43%	0.429	46%	0.461	S	S	.	.	H	α-helix	trans	-65	-40.6	175.7	-52	0	0	0	0	111	I601 L602 L603 N608 Y609	I601-T605 PolarHBondContact O-N 2.92Å; I601-T605 PolarHBondContact O-OG1 2.71Å; L602-T605 PolarHBondContact O-N 3.25Å; L603-T605 PolarHBondContact O-N 3.1Å; T605-N608 PolarHBondContact O-N 3.28Å; T605-Y609 WeakPolarHBondContact O-CB 3.34Å; T605-Y609 PolarHBondContact O-N 3.29Å
606	M	74.6	Confident	76.1	Confident	117 Å²	117	88.8 Å²	88.8	58%	0.576	44%	0.443	S	S	*	.	H	α-helix	trans	-65	-43.3	174.5	-74.8	-178.7	123.3	0	0	112.2	L602 L603 K604 Y609 M610	L602-M606 WeakPolarHBondContact O-CB 3.21Å; L602-M606 WeakPolarHBondContact O-CG 3.42Å; L602-M606 PolarHBondContact O-N 2.93Å; L603-M606 PolarHBondContact O-N 2.67Å; K604-M606 VanDerWaalsContact C-N 3.34Å; M606-Y609 PolarHBondContact O-N 3.24Å; M606-M610 HydrophobicContact CB-CE 4.47Å; M606-M610 WeakPolarHBondContact O-CG 3.26Å; M606-M610 PolarHBondContact O-N 2.71Å
607	E	79.2	Confident	76.9	Confident	120 Å²	120	87.5 Å²	87.5	56%	0.561	44%	0.444	S	S	*	.	H	α-helix	trans	-58.1	-49.7	174.3	-76	171.9	179.6	0	0	111	L603 K604 Y609 M610 T611	L603-E607 WeakPolarHBondContact O-CG 3.48Å; L603-E607 PolarHBondContact O-N 3.32Å; K604-E607 PolarHBondContact O-N 2.89Å; E607-Y609 VanDerWaalsContact C-N 3.31Å; E607-Y609 PolarHBondContact O-N 3.48Å; E607-M610 PolarHBondContact O-N 3.02Å; E607-T611 WeakPolarHBondContact O-CG2 3.34Å; E607-T611 PolarHBondContact O-N 2.88Å; E607-T611 PolarHBondContact O-OG1 3.34Å
608	N	76.7	Confident	77.6	Confident	91 Å²	91	92.2 Å²	92.2	49%	0.487	46%	0.457	S	S	.	.	H	α-helix	trans	-58.3	-44.7	176.7	-70.4	-13.2	0	0	0	111.5	K604 T605 M610 T611 H612	K604-N608 WeakPolarHBondContact O-CB 3.36Å; K604-N608 PolarHBondContact O-N 3.49Å; T605-N608 PolarHBondContact O-N 3.28Å; N608-M610 PolarHBondContact O-N 3.41Å; N608-T611 WeakPolarHBondContact CA-OG1 3.31Å; N608-T611 PolarHBondContact O-N 2.78Å; N608-T611 PolarHBondContact O-OG1 3.14Å; N608-H612 WeakPolarHBondContact O-CB 3.39Å; N608-H612 PolarHBondContact O-N 3.44Å
609	Y	74.2	Confident	78.1	Confident	155 Å²	155	96.7 Å²	96.7	61%	0.608	48%	0.477	S	S	*	.	H	α-helix	trans	-63.3	-41.6	178	-171.6	-101.4	0	0	0	112.2	T605 M606 E607 H612 L613	T605-Y609 WeakPolarHBondContact O-CB 3.34Å; T605-Y609 PolarHBondContact O-N 3.29Å; M606-Y609 PolarHBondContact O-N 3.24Å; E607-Y609 VanDerWaalsContact C-N 3.31Å; E607-Y609 PolarHBondContact O-N 3.48Å; Y609-H612 PolarHBondContact O-N 3.04Å; Y609-L613 HydrophobicContact CD1-CD1 3.71Å; Y609-L613 HydrophobicContact CD1-CG 4.37Å; Y609-L613 HydrophobicContact CE1-CD1 3.3Å; Y609-L613 HydrophobicContact CE1-CG 4.05Å; Y609-L613 WeakPolarHBondContact O-CG 3.41Å; Y609-L613 PolarHBondContact O-N 3.41Å
610	M	76.7	Confident	78.6	Confident	111 Å²	111	101.1 Å²	101.1	55%	0.547	49%	0.488	S	S	.	.	H	α-helix	trans	-63	-47.3	175.1	-73	-173.7	-151.4	0	0	111.5	M606 E607 N608 H612 L613 E614	M606-M610 HydrophobicContact CB-CE 4.47Å; M606-M610 WeakPolarHBondContact O-CG 3.26Å; M606-M610 PolarHBondContact O-N 2.71Å; E607-M610 PolarHBondContact O-N 3.02Å; N608-M610 PolarHBondContact O-N 3.41Å; M610-H612 VanDerWaalsContact C-N 3.33Å; M610-H612 PolarHBondContact O-N 3.29Å; M610-L613 WeakPolarHBondContact O-CB 3.32Å; M610-L613 PolarHBondContact O-N 3.1Å; M610-E614 WeakPolarHBondContact O-CG 3.32Å; M610-E614 PolarHBondContact O-N 3.2Å
611	T	79.7	Confident	79.2	Confident	81 Å²	81	99.8 Å²	99.8	50%	0.497	48%	0.483	S	S	.	.	H	α-helix	trans	-61.5	-40.6	179	55.3	0	0	0	0	112.4	E607 N608 L613 E614 E615	E607-T611 WeakPolarHBondContact O-CG2 3.34Å; E607-T611 PolarHBondContact O-N 2.88Å; E607-T611 PolarHBondContact O-OG1 3.34Å; N608-T611 WeakPolarHBondContact CA-OG1 3.31Å; N608-T611 PolarHBondContact O-N 2.78Å; N608-T611 PolarHBondContact O-OG1 3.14Å; T611-L613 VanDerWaalsContact C-N 3.35Å; T611-L613 PolarHBondContact O-N 3.31Å; T611-E614 PolarHBondContact O-N 3.3Å; T611-E615 PolarHBondContact O-N 3.17Å
612	H	78.3	Confident	79.8	Confident	100 Å²	100	103 Å²	103	46%	0.463	50%	0.503	S	S	.	.	H	α-helix	trans	-67.7	-35.9	176.9	-174.8	59.3	0	0	0	112.4	N608 Y609 M610 E615 K616	N608-H612 WeakPolarHBondContact O-CB 3.39Å; N608-H612 PolarHBondContact O-N 3.44Å; Y609-H612 PolarHBondContact O-N 3.04Å; M610-H612 VanDerWaalsContact C-N 3.33Å; M610-H612 PolarHBondContact O-N 3.29Å; H612-E615 IonicContact ND1-OE2 2.7Å; H612-K616 WeakPolarHBondContact O-CB 3.47Å; H612-K616 PolarHBondContact O-N 2.85Å; H612-K616 VanDerWaalsContact O-N 3.11Å
613	L	77.1	Confident	80.5	Confident	73 Å²	73	105 Å²	105	38%	0.382	51%	0.511	S	S	.	.	H	α-helix	trans	-65.8	-42	173.1	-80.5	175.5	0	0	0	112.1	Y609 M610 T611 K616 V617	Y609-L613 HydrophobicContact CD1-CD1 3.71Å; Y609-L613 HydrophobicContact CD1-CG 4.37Å; Y609-L613 HydrophobicContact CE1-CD1 3.3Å; Y609-L613 HydrophobicContact CE1-CG 4.05Å; Y609-L613 WeakPolarHBondContact O-CG 3.41Å; Y609-L613 PolarHBondContact O-N 3.41Å; M610-L613 WeakPolarHBondContact O-CB 3.32Å; M610-L613 PolarHBondContact O-N 3.1Å; T611-L613 VanDerWaalsContact C-N 3.35Å; T611-L613 PolarHBondContact O-N 3.31Å; L613-K616 PolarHBondContact O-N 3.23Å; L613-V617 VanDerWaalsContact O-CG2 3.31Å; L613-V617 WeakPolarHBondContact O-CG2 3.33Å; L613-V617 PolarHBondContact O-N 3.33Å
614	E	80.7	Confident	80.9	Confident	135 Å²	135	106.1 Å²	106.1	63%	0.631	52%	0.517	S	S	*	.	H	α-helix	trans	-60.3	-47.3	176.6	-74.2	177	168.1	0	0	111.5	M610 T611 K616 V617 E618	M610-E614 WeakPolarHBondContact O-CG 3.32Å; M610-E614 PolarHBondContact O-N 3.2Å; T611-E614 PolarHBondContact O-N 3.3Å; E614-K616 VanDerWaalsContact C-N 3.3Å; E614-K616 PolarHBondContact O-N 3.28Å; E614-V617 PolarHBondContact O-N 2.96Å; E614-E618 WeakPolarHBondContact O-CB 3.38Å; E614-E618 PolarHBondContact O-N 3.48Å
615	E	84.3	Confident	81.2	Confident	127 Å²	127	107.7 Å²	107.7	59%	0.593	52%	0.524	S	S	*	.	H	α-helix	trans	-55.9	-45.7	175.2	-176.8	-178.7	-160.7	0	0	111.3	T611 H612 E618 E619	T611-E615 PolarHBondContact O-N 3.17Å; H612-E615 IonicContact ND1-OE2 2.7Å; E615-E618 PolarHBondContact O-N 3.36Å; E615-E619 WeakPolarHBondContact O-CB 3.13Å; E615-E619 PolarHBondContact O-N 3.31Å
616	K	79.6	Confident	81.6	Confident	110 Å²	110	106.4 Å²	106.4	48%	0.478	52%	0.521	S	S	.	.	H	α-helix	trans	-68.9	-35.6	-179.6	-162.6	167.7	-169.4	166.3	0	113.1	H612 L613 E614 R620	H612-K616 WeakPolarHBondContact O-CB 3.47Å; H612-K616 PolarHBondContact O-N 2.85Å; H612-K616 VanDerWaalsContact O-N 3.11Å; L613-K616 PolarHBondContact O-N 3.23Å; E614-K616 VanDerWaalsContact C-N 3.3Å; E614-K616 PolarHBondContact O-N 3.28Å; K616-R620 WeakPolarHBondContact O-CG 3.34Å; K616-R620 PolarHBondContact O-N 3.16Å; K616-R620 VanDerWaalsContact O-N 3.1Å
617	V	84.2	Confident	81.8	Confident	92 Å²	92	104.9 Å²	104.9	56%	0.558	52%	0.518	S	S	*	.	H	α-helix	trans	-67.5	-42	174.1	168.8	0	0	0	0	110.2	L613 E614 R620 T621	L613-V617 VanDerWaalsContact O-CG2 3.31Å; L613-V617 WeakPolarHBondContact O-CG2 3.33Å; L613-V617 PolarHBondContact O-N 3.33Å; E614-V617 PolarHBondContact O-N 2.96Å; V617-R620 PolarHBondContact O-N 3.09Å; V617-T621 VanDerWaalsContact O-CB 3.32Å; V617-T621 WeakPolarHBondContact O-CB 3.29Å; V617-T621 PolarHBondContact O-N 3.34Å; V617-T621 PolarHBondContact O-OG1 2.94Å
618	E	86.5	Confident	81.9	Confident	136 Å²	136	101.5 Å²	101.5	64%	0.636	51%	0.505	S	S	*	.	H	α-helix	trans	-61.5	-49.6	176.3	-173.7	169.7	-166.8	0	0	111	E614 E615 R620 T621 T622	E614-E618 WeakPolarHBondContact O-CB 3.38Å; E614-E618 PolarHBondContact O-N 3.48Å; E615-E618 PolarHBondContact O-N 3.36Å; E618-R620 PolarHBondContact O-N 3.35Å; E618-T621 WeakPolarHBondContact O-CB 3.46Å; E618-T621 PolarHBondContact O-N 3.2Å; E618-T621 VanDerWaalsContact O-N 3.1Å; E618-T622 WeakPolarHBondContact O-CG2 3.38Å; E618-T622 PolarHBondContact O-N 3.37Å
619	E	86.5	Confident	82.1	Confident	102 Å²	102	99.7 Å²	99.7	48%	0.477	50%	0.503	S	S	.	.	H	α-helix	trans	-51.1	-56.6	175.2	-176.4	-173.3	-164.2	0	0	111	E615 T621 T622 E623	E615-E619 WeakPolarHBondContact O-CB 3.13Å; E615-E619 PolarHBondContact O-N 3.31Å; E619-T621 VanDerWaalsContact C-N 3.27Å; E619-T621 PolarHBondContact O-N 3.02Å; E619-T622 PolarHBondContact O-N 3.06Å; E619-T622 VanDerWaalsContact O-N 3.08Å; E619-T622 PolarHBondContact O-OG1 3.43Å; E619-E623 PolarHBondContact O-N 3.15Å
620	R	82.4	Confident	82.4	Confident	154 Å²	154	100.4 Å²	100.4	58%	0.581	50%	0.504	S	S	*	.	H	α-helix	trans	-60.5	-35.1	179.4	-69.7	-56.6	-167.5	172.7	1.3	113.3	K616 V617 E618 E623 L624	K616-R620 WeakPolarHBondContact O-CG 3.34Å; K616-R620 PolarHBondContact O-N 3.16Å; K616-R620 VanDerWaalsContact O-N 3.1Å; V617-R620 PolarHBondContact O-N 3.09Å; E618-R620 PolarHBondContact O-N 3.35Å; R620-E623 VanDerWaalsContact CD-OE2 3.3Å; R620-E623 WeakPolarHBondContact CD-OE2 3.37Å; R620-E623 IonicContact CZ-OE2 2.84Å; R620-E623 IonicContact NE-OE2 2.76Å; R620-E623 IonicContact NH1-OE2 2.72Å; R620-E623 PolarHBondContact NH1-OE2 3.32Å; R620-L624 WeakPolarHBondContact O-CB 3.39Å; R620-L624 PolarHBondContact O-N 2.89Å
621	T	86.2	Confident	82.4	Confident	63 Å²	63	100.6 Å²	100.6	39%	0.387	51%	0.505	S	S	.	.	H	α-helix	trans	-67.7	-39.1	177.2	-56.5	0	0	0	0	111.1	V617 E618 E619 K625	V617-T621 VanDerWaalsContact O-CB 3.32Å; V617-T621 WeakPolarHBondContact O-CB 3.29Å; V617-T621 PolarHBondContact O-N 3.34Å; V617-T621 PolarHBondContact O-OG1 2.94Å; E618-T621 WeakPolarHBondContact O-CB 3.46Å; E618-T621 PolarHBondContact O-N 3.2Å; E618-T621 VanDerWaalsContact O-N 3.1Å; E619-T621 VanDerWaalsContact C-N 3.27Å; E619-T621 PolarHBondContact O-N 3.02Å; T621-K625 WeakPolarHBondContact O-CG 3.11Å; T621-K625 PolarHBondContact O-N 2.86Å
622	T	88	Confident	82.4	Confident	77 Å²	77	100.9 Å²	100.9	47%	0.472	50%	0.501	S	S	.	.	H	α-helix	trans	-67.2	-42.2	175.4	65.9	0	0	0	0	112.4	E618 E619 L624 K625 A626	E618-T622 WeakPolarHBondContact O-CG2 3.38Å; E618-T622 PolarHBondContact O-N 3.37Å; E619-T622 PolarHBondContact O-N 3.06Å; E619-T622 VanDerWaalsContact O-N 3.08Å; E619-T622 PolarHBondContact O-OG1 3.43Å; T622-L624 PolarHBondContact O-N 3.41Å; T622-K625 PolarHBondContact O-N 2.78Å; T622-A626 PolarHBondContact O-N 3.19Å
623	E	86.7	Confident	82.4	Confident	85 Å²	85	102.8 Å²	102.8	40%	0.397	51%	0.512	S	S	.	.	H	α-helix	trans	-58.7	-47.3	174.3	-68.5	-175	150	0	0	111.2	E619 R620 K625 A626 V627	E619-E623 PolarHBondContact O-N 3.15Å; R620-E623 VanDerWaalsContact CD-OE2 3.3Å; R620-E623 WeakPolarHBondContact CD-OE2 3.37Å; R620-E623 IonicContact CZ-OE2 2.84Å; R620-E623 IonicContact NE-OE2 2.76Å; R620-E623 IonicContact NH1-OE2 2.72Å; R620-E623 PolarHBondContact NH1-OE2 3.32Å; E623-K625 VanDerWaalsContact C-N 3.34Å; E623-K625 PolarHBondContact O-N 3.22Å; E623-A626 PolarHBondContact O-N 3Å; E623-V627 WeakPolarHBondContact O-CG2 3.42Å; E623-V627 PolarHBondContact O-N 3.18Å
624	L	85.2	Confident	82.4	Confident	115 Å²	115	104.5 Å²	104.5	60%	0.602	52%	0.521	S	S	*	.	H	α-helix	trans	-62	-41.8	180	-174.2	64.6	0	0	0	111.6	R620 T622 V627 T628	R620-L624 WeakPolarHBondContact O-CB 3.39Å; R620-L624 PolarHBondContact O-N 2.89Å; T622-L624 PolarHBondContact O-N 3.41Å; L624-V627 PolarHBondContact O-N 2.99Å; L624-T628 WeakPolarHBondContact O-CB 3.44Å; L624-T628 PolarHBondContact O-N 3.47Å; L624-T628 PolarHBondContact O-OG1 3.26Å
625	K	84.2	Confident	82.1	Confident	147 Å²	147	100.3 Å²	100.3	64%	0.639	50%	0.503	S	S	*	.	H	α-helix	trans	-60.9	-44.5	174.7	-76.8	176.3	-179.8	175.7	0	111.7	T621 T622 E623 T628 A629	T621-K625 WeakPolarHBondContact O-CG 3.11Å; T621-K625 PolarHBondContact O-N 2.86Å; T622-K625 PolarHBondContact O-N 2.78Å; E623-K625 VanDerWaalsContact C-N 3.34Å; E623-K625 PolarHBondContact O-N 3.22Å; K625-T628 PolarHBondContact O-N 3Å; K625-A629 WeakPolarHBondContact O-CB 3.3Å; K625-A629 PolarHBondContact O-N 3.28Å
626	A	83.5	Confident	81.7	Confident	44 Å²	44	97 Å²	97	36%	0.364	49%	0.489	S	S	.	.	H	α-helix	trans	-64.2	-41.5	178.9	0	0	0	0	0	112.3	T622 E623 R630	T622-A626 PolarHBondContact O-N 3.19Å; E623-A626 PolarHBondContact O-N 3Å; A626-R630 WeakPolarHBondContact O-CG 3.38Å; A626-R630 PolarHBondContact O-N 3.46Å; A626-R630 VanDerWaalsContact O-N 3.13Å
627	V	78.6	Confident	81.4	Confident	84 Å²	84	95.9 Å²	95.9	51%	0.509	50%	0.495	S	S	.	.	H	α-helix	trans	-65.5	-44.5	175.7	172.6	0	0	0	0	111.1	E623 L624 A629 R630 M631	E623-V627 WeakPolarHBondContact O-CG2 3.42Å; E623-V627 PolarHBondContact O-N 3.18Å; L624-V627 PolarHBondContact O-N 2.99Å; V627-A629 PolarHBondContact O-N 3.13Å; V627-R630 PolarHBondContact O-N 3.19Å; V627-M631 WeakPolarHBondContact O-CB 3.36Å; V627-M631 PolarHBondContact O-N 2.7Å
628	T	80.2	Confident	81	Confident	50 Å²	50	97.7 Å²	97.7	31%	0.307	50%	0.499	S	S	.	.	H	α-helix	trans	-61.1	-44.6	178.6	-53.5	0	0	0	0	111.1	L624 K625 R630 M631 E632	L624-T628 WeakPolarHBondContact O-CB 3.44Å; L624-T628 PolarHBondContact O-N 3.47Å; L624-T628 PolarHBondContact O-OG1 3.26Å; K625-T628 PolarHBondContact O-N 3Å; T628-R630 PolarHBondContact O-N 2.93Å; T628-M631 PolarHBondContact O-N 3.44Å; T628-E632 PolarHBondContact O-N 3.25Å
629	A	81.9	Confident	80.6	Confident	52 Å²	52	91.4 Å²	91.4	43%	0.43	47%	0.47	S	S	.	.	H	α-helix	trans	-62.2	-40.3	177	0	0	0	0	0	112.9	K625 V627 E632 M633	K625-A629 WeakPolarHBondContact O-CB 3.3Å; K625-A629 PolarHBondContact O-N 3.28Å; V627-A629 PolarHBondContact O-N 3.13Å; A629-E632 PolarHBondContact O-N 2.95Å; A629-M633 WeakPolarHBondContact O-CB 3.46Å; A629-M633 PolarHBondContact O-N 3Å
630	R	79.7	Confident	80.4	Confident	171 Å²	171	87 Å²	87	65%	0.645	45%	0.45	S	S	*	.	H	α-helix	trans	-65.3	-41.3	174.1	-72	-179.1	-156.7	164	7.1	111.7	A626 V627 T628 M633 L634	A626-R630 WeakPolarHBondContact O-CG 3.38Å; A626-R630 PolarHBondContact O-N 3.46Å; A626-R630 VanDerWaalsContact O-N 3.13Å; V627-R630 PolarHBondContact O-N 3.19Å; T628-R630 PolarHBondContact O-N 2.93Å; R630-M633 PolarHBondContact O-N 3.46Å; R630-L634 WeakPolarHBondContact O-CG 3.44Å; R630-L634 PolarHBondContact O-N 3.11Å
631	M	77.2	Confident	80.3	Confident	115 Å²	115	88.5 Å²	88.5	57%	0.567	46%	0.456	S	S	*	.	H	α-helix	trans	-64	-43	177.8	-174.5	166.3	59.5	0	0	111.5	V627 T628 L634 L635	V627-M631 WeakPolarHBondContact O-CB 3.36Å; V627-M631 PolarHBondContact O-N 2.7Å; T628-M631 PolarHBondContact O-N 3.44Å; M631-L634 PolarHBondContact O-N 2.95Å; M631-L635 WeakPolarHBondContact O-CB 3.33Å; M631-L635 PolarHBondContact O-N 3.22Å
632	E	78.4	Confident	80	Confident	86 Å²	86	89.1 Å²	89.1	40%	0.402	46%	0.457	S	S	.	.	H	α-helix	trans	-60.9	-43.1	173.2	-78	-179.7	179.6	0	0	112.4	T628 A629 L635 N636	T628-E632 PolarHBondContact O-N 3.25Å; A629-E632 PolarHBondContact O-N 2.95Å; E632-L635 PolarHBondContact O-N 3.49Å; E632-N636 WeakPolarHBondContact O-CB 2.94Å; E632-N636 VanDerWaalsContact O-CG 3.31Å; E632-N636 PolarHBondContact O-N 3.37Å; E632-N636 PolarHBondContact O-ND2 3.44Å
633	M	78.9	Confident	79.7	Confident	141 Å²	141	86 Å²	86	70%	0.695	44%	0.438	S	S	*	.	H	α-helix	trans	-62.2	-46.1	177.9	-173.3	-173.6	-64.2	0	0	111.8	A629 R630 N636 S637	A629-M633 WeakPolarHBondContact O-CB 3.46Å; A629-M633 PolarHBondContact O-N 3Å; R630-M633 PolarHBondContact O-N 3.46Å; M633-N636 PolarHBondContact O-N 3.35Å; M633-S637 PolarHBondContact O-N 3.36Å; M633-S637 VanDerWaalsContact O-N 3.11Å
634	L	76.8	Confident	79.5	Confident	108 Å²	108	82 Å²	82	57%	0.565	42%	0.419	S	S	*	.	H	α-helix	trans	-66.7	-37	177.7	-70.6	171.4	0	0	0	112.4	R630 M631 S637 M638	R630-L634 WeakPolarHBondContact O-CG 3.44Å; R630-L634 PolarHBondContact O-N 3.11Å; M631-L634 PolarHBondContact O-N 2.95Å; L634-S637 PolarHBondContact O-N 3.15Å; L634-S637 PolarHBondContact O-OG 2.95Å; L634-M638 PolarHBondContact O-N 3.31Å
635	L	75.4	Confident	79.4	Confident	48 Å²	48	79.9 Å²	79.9	25%	0.251	41%	0.41	S	S	.	.	H	α-helix	trans	-68.1	-42.4	177.9	-166.8	72.2	0	0	0	111.2	M631 E632 S637 M638 L639 A644 Q648	M631-L635 WeakPolarHBondContact O-CB 3.33Å; M631-L635 PolarHBondContact O-N 3.22Å; E632-L635 PolarHBondContact O-N 3.49Å; L635-S637 VanDerWaalsContact C-N 3.25Å; L635-S637 PolarHBondContact O-N 3.29Å; L635-M638 PolarHBondContact O-N 3.15Å; L635-L639 HydrophobicContact CD1-CD1 4.44Å; L635-L639 PolarHBondContact O-N 3.22Å; L635-L639 VanDerWaalsContact O-N 3.11Å; L635-A644 HydrophobicContact CD2-CB 3.84Å; L635-A644 HydrophobicContact CG-CB 3.87Å; L635-Q648 HydrophobicContact CD2-CG 3.43Å; L635-Q648 VanDerWaalsContact CD2-CG 3.43Å
636	N	74.5	Confident	79.2	Confident	56 Å²	56	77.6 Å²	77.6	30%	0.299	40%	0.398	S	S	.	.	H	α-helix	trans	-71.4	-15.6	177.9	-74.1	-44.4	0	0	0	113.8	E632 M633 R641 A644	E632-N636 WeakPolarHBondContact O-CB 2.94Å; E632-N636 VanDerWaalsContact O-CG 3.31Å; E632-N636 PolarHBondContact O-N 3.37Å; E632-N636 PolarHBondContact O-ND2 3.44Å; M633-N636 PolarHBondContact O-N 3.35Å; N636-R641 HydrophobicContact CB-CG 4.4Å; N636-A644 WeakPolarHBondContact OD1-CB 3.36Å
637	S	74.3	Confident	79	Confident	88 Å²	88	78.4 Å²	78.4	62%	0.615	40%	0.396	S	S	*	.	H	α-helix	trans	-84.7	-23.6	173.3	68.6	0	0	0	0	113.1	M633 L634 L635	M633-S637 PolarHBondContact O-N 3.36Å; M633-S637 VanDerWaalsContact O-N 3.11Å; L634-S637 PolarHBondContact O-N 3.15Å; L634-S637 PolarHBondContact O-OG 2.95Å; L635-S637 VanDerWaalsContact C-N 3.25Å; L635-S637 PolarHBondContact O-N 3.29Å
638	M	74.8	Confident	79	Confident	129 Å²	129	78.3 Å²	78.3	64%	0.635	39%	0.39	S	S	*	.	H	α-helix	trans	-94.8	-27.3	179.1	-64.5	-171.2	-173.4	0	0	113.6	L634 L635	L634-M638 PolarHBondContact O-N 3.31Å; L635-M638 PolarHBondContact O-N 3.15Å
639	L	79.7	Confident	79.1	Confident	4 Å²	4	81.1 Å²	81.1	2%	0.021	40%	0.403	C	S	.	.	S	Bend	trans	-131.4	152.1	-175.3	-66.5	174.3	0	0	0	110.8	L635 R641 A644 L647 P776 F778	L635-L639 HydrophobicContact CD1-CD1 4.44Å; L635-L639 PolarHBondContact O-N 3.22Å; L635-L639 VanDerWaalsContact O-N 3.11Å; L639-R641 PolarHBondContact O-N 2.98Å; L639-A644 HydrophobicContact CB-CB 4.37Å; L639-L647 HydrophobicContact CD1-CD1 3.41Å; L639-L647 VanDerWaalsContact CD1-CD1 3.41Å; L639-P776 HydrophobicContact CD1-CB 4.42Å; L639-P776 HydrophobicContact CD1-CG 4.19Å; L639-F778 HydrophobicContact CD2-CB 4.33Å
640	P	80.8	Confident	78.9	Confident	11 Å²	11	82 Å²	82	7%	0.071	42%	0.417	C	S	.	.			trans	-58.6	140.8	171.4	-9.9	20	0	0	0	110.8	D642 V643 A644 Y704 P720 F778	P640-D642 VanDerWaalsContact C-N 3.29Å; P640-D642 PolarHBondContact O-N 2.98Å; P640-D642 VanDerWaalsContact O-N 3.15Å; P640-V643 HydrophobicContact CB-CB 4.41Å; P640-V643 HydrophobicContact CB-CG2 4.07Å; P640-V643 HydrophobicContact CG-CB 4.34Å; P640-V643 HydrophobicContact CG-CG2 3.9Å; P640-V643 WeakPolarHBondContact O-CA 3.45Å; P640-V643 VanDerWaalsContact O-CB 3.28Å; P640-V643 WeakPolarHBondContact O-CB 3.33Å; P640-V643 PolarHBondContact O-N 3.47Å; P640-A644 PolarHBondContact O-N 3.4Å; P640-Y704 HydrophobicContact CB-CD2 4.5Å; P640-Y704 HydrophobicContact CB-CE2 4.12Å; P640-Y704 WeakPolarHBondContact CD-OH 3.33Å; P640-Y704 HydrophobicContact CG-CD2 4.19Å; P640-Y704 HydrophobicContact CG-CE1 4.38Å; P640-Y704 HydrophobicContact CG-CE2 3.56Å; P640-P720 HydrophobicContact CB-CG 3.68Å; P640-P720 HydrophobicContact CG-CG 4.21Å; P640-F778 HydrophobicContact CG-CB 4.32Å; P640-F778 HydrophobicContact CG-CD1 3.82Å; P640-F778 HydrophobicContact CG-CD2 4.44Å; P640-F778 HydrophobicContact CG-CE1 4.16Å; P640-F778 HydrophobicContact CG-CG 3.95Å
641	R	81.4	Confident	78.8	Confident	184 Å²	184	78.7 Å²	78.7	69%	0.694	41%	0.409	S	S	*	.	H	α-helix	trans	-50.7	-44.9	-174	-67	-172	-176	179.1	1.9	113.8	N636 L639 V643 A644 V645	N636-R641 HydrophobicContact CB-CG 4.4Å; L639-R641 PolarHBondContact O-N 2.98Å; R641-V643 PolarHBondContact O-N 2.98Å; R641-A644 PolarHBondContact O-N 3.46Å; R641-V645 WeakPolarHBondContact O-CG2 3.34Å; R641-V645 PolarHBondContact O-N 2.98Å
642	D	80.4	Confident	78.7	Confident	77 Å²	77	80.5 Å²	80.5	41%	0.412	41%	0.414	S	S	.	.	H	α-helix	trans	-64.4	-30.2	-178.9	-59.8	-24.3	0	0	0	112	P640 R646 K721	P640-D642 VanDerWaalsContact C-N 3.29Å; P640-D642 PolarHBondContact O-N 2.98Å; P640-D642 VanDerWaalsContact O-N 3.15Å; D642-R646 WeakPolarHBondContact O-CG 3.47Å; D642-K721 WeakPolarHBondContact OD2-CE 3.23Å; D642-K721 IonicContact OD2-NZ 2.81Å
643	V	81.1	Confident	78.8	Confident	12 Å²	12	77.7 Å²	77.7	7%	0.073	40%	0.401	C	S	.	.	H	α-helix	trans	-78.1	-43.1	176.2	-179.6	0	0	0	0	110.3	P640 R641 R646 L647 I653 V770 F778	P640-V643 HydrophobicContact CB-CB 4.41Å; P640-V643 HydrophobicContact CB-CG2 4.07Å; P640-V643 HydrophobicContact CG-CB 4.34Å; P640-V643 HydrophobicContact CG-CG2 3.9Å; P640-V643 WeakPolarHBondContact O-CA 3.45Å; P640-V643 VanDerWaalsContact O-CB 3.28Å; P640-V643 WeakPolarHBondContact O-CB 3.33Å; P640-V643 PolarHBondContact O-N 3.47Å; R641-V643 PolarHBondContact O-N 2.98Å; V643-R646 PolarHBondContact O-N 3.44Å; V643-L647 HydrophobicContact CG1-CD1 4.45Å; V643-L647 PolarHBondContact O-N 2.97Å; V643-L647 VanDerWaalsContact O-N 3.11Å; V643-I653 HydrophobicContact CB-CD1 4.41Å; V643-I653 HydrophobicContact CG1-CD1 3.31Å; V643-I653 HydrophobicContact CG1-CG1 4.34Å; V643-V770 HydrophobicContact CG1-CG2 3.41Å; V643-V770 VanDerWaalsContact CG1-CG2 3.41Å; V643-F778 HydrophobicContact CG2-CD2 4.12Å; V643-F778 HydrophobicContact CG2-CE2 4.02Å
644	A	82.4	Confident	79	Confident	0 Å²	0	76 Å²	76	0%	0	39%	0.392	C	S	.	.	H	α-helix	trans	-59.5	-46.7	177.4	0	0	0	0	0	112.3	L635 N636 L639 P640 R641 R646 L647 Q648	L635-A644 HydrophobicContact CD2-CB 3.84Å; L635-A644 HydrophobicContact CG-CB 3.87Å; N636-A644 WeakPolarHBondContact OD1-CB 3.36Å; L639-A644 HydrophobicContact CB-CB 4.37Å; P640-A644 PolarHBondContact O-N 3.4Å; R641-A644 PolarHBondContact O-N 3.46Å; A644-R646 PolarHBondContact O-N 3.21Å; A644-L647 PolarHBondContact O-N 2.71Å; A644-Q648 WeakPolarHBondContact O-CG 3.35Å; A644-Q648 PolarHBondContact O-N 2.93Å
645	V	82.2	Confident	79.5	Confident	70 Å²	70	74.6 Å²	74.6	42%	0.424	39%	0.389	S	S	.	.	H	α-helix	trans	-62.4	-41.2	178.5	171.7	0	0	0	0	111.7	R641 L647 Q648 N649	R641-V645 WeakPolarHBondContact O-CG2 3.34Å; R641-V645 PolarHBondContact O-N 2.98Å; V645-L647 VanDerWaalsContact C-N 3.33Å; V645-L647 PolarHBondContact O-N 2.86Å; V645-Q648 PolarHBondContact O-N 3.49Å; V645-N649 PolarHBondContact O-N 2.87Å; V645-N649 VanDerWaalsContact O-N 3.15Å; V645-N649 PolarHBondContact O-ND2 2.84Å
646	R	81.7	Confident	80.2	Confident	99 Å²	99	75.7 Å²	75.7	37%	0.374	39%	0.393	S	S	.	.	H	α-helix	trans	-63.3	-40.1	176.8	-72.6	-179.8	67.6	178.8	-2.5	111.8	D642 V643 A644 N649 G650 Q651 K652 I653	D642-R646 WeakPolarHBondContact O-CG 3.47Å; V643-R646 PolarHBondContact O-N 3.44Å; A644-R646 PolarHBondContact O-N 3.21Å; R646-N649 PolarHBondContact O-N 2.99Å; R646-G650 PolarHBondContact O-N 3.33Å; R646-Q651 HydrophobicContact CB-CB 4.38Å; R646-Q651 WeakPolarHBondContact O-CB 3.47Å; R646-Q651 PolarHBondContact O-N 2.69Å; R646-K652 PolarHBondContact NH2-O 3.15Å; R646-K652 VanDerWaalsContact NH2-O 3.15Å; R646-I653 HydrophobicContact CB-CG1 4.23Å
647	L	78.7	Confident	81.1	Confident	61 Å²	61	79.1 Å²	79.1	32%	0.319	40%	0.403	S	S	.	.	H	α-helix	trans	-66	-41.8	175.4	-77	164.9	0	0	0	112.8	L639 V643 A644 V645 N649 G650 I653	L639-L647 HydrophobicContact CD1-CD1 3.41Å; L639-L647 VanDerWaalsContact CD1-CD1 3.41Å; V643-L647 HydrophobicContact CG1-CD1 4.45Å; V643-L647 PolarHBondContact O-N 2.97Å; V643-L647 VanDerWaalsContact O-N 3.11Å; A644-L647 PolarHBondContact O-N 2.71Å; V645-L647 VanDerWaalsContact C-N 3.33Å; V645-L647 PolarHBondContact O-N 2.86Å; L647-N649 PolarHBondContact O-N 3.2Å; L647-G650 PolarHBondContact O-N 3.17Å; L647-I653 HydrophobicContact CD1-CD1 3.68Å; L647-I653 HydrophobicContact CD2-CD1 3.78Å; L647-I653 HydrophobicContact CG-CD1 3.4Å; L647-I653 HydrophobicContact CG-CG1 4.42Å
648	Q	77.8	Confident	82	Confident	82 Å²	82	75.2 Å²	75.2	38%	0.383	37%	0.374	S	S	.	.	H	α-helix	trans	-59.5	-35.2	176.3	-74.2	176.6	-26.4	0	0	112.2	L635 A644 V645 G650	L635-Q648 HydrophobicContact CD2-CG 3.43Å; L635-Q648 VanDerWaalsContact CD2-CG 3.43Å; A644-Q648 WeakPolarHBondContact O-CG 3.35Å; A644-Q648 PolarHBondContact O-N 2.93Å; V645-Q648 PolarHBondContact O-N 3.49Å; Q648-G650 PolarHBondContact O-N 2.72Å
649	N	82.3	Confident	82.8	Confident	110 Å²	110	76.5 Å²	76.5	59%	0.588	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	8.3	175.8	-67.2	-33.1	0	0	0	113.7	V645 R646 L647 Q651	V645-N649 PolarHBondContact O-N 2.87Å; V645-N649 VanDerWaalsContact O-N 3.15Å; V645-N649 PolarHBondContact O-ND2 2.84Å; R646-N649 PolarHBondContact O-N 2.99Å; L647-N649 PolarHBondContact O-N 3.2Å; N649-Q651 HydrophobicContact CB-CG 4.12Å; N649-Q651 PolarHBondContact O-N 3.08Å
650	G	77.8	Confident	83.5	Confident	71 Å²	71	78.2 Å²	78.2	73%	0.732	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.7	16.4	-179.2	0	0	0	0	0	114.2	R646 L647 Q648	R646-G650 PolarHBondContact O-N 3.33Å; L647-G650 PolarHBondContact O-N 3.17Å; Q648-G650 PolarHBondContact O-N 2.72Å
651	Q	78.3	Confident	84.2	Confident	100 Å²	100	77.7 Å²	77.7	47%	0.467	39%	0.388	S	S	.	.			trans	-84.7	137.4	-178.2	-59.6	-179.2	-15.5	0	0	110.9	R646 N649	R646-Q651 HydrophobicContact CB-CB 4.38Å; R646-Q651 WeakPolarHBondContact O-CB 3.47Å; R646-Q651 PolarHBondContact O-N 2.69Å; N649-Q651 HydrophobicContact CB-CG 4.12Å; N649-Q651 PolarHBondContact O-N 3.08Å
652	K	75.7	Confident	85	Confident	154 Å²	154	69 Å²	69	67%	0.67	36%	0.355	S	S	*	.			trans	-69	133.6	171.3	-166.8	177.8	174.1	-137.4	0	109.9	R646 E654	R646-K652 PolarHBondContact NH2-O 3.15Å; R646-K652 VanDerWaalsContact NH2-O 3.15Å; K652-E654 VanDerWaalsContact CD-OE1 3.31Å; K652-E654 WeakPolarHBondContact CD-OE1 3.46Å; K652-E654 VanDerWaalsContact CE-OE1 3.29Å; K652-E654 WeakPolarHBondContact CE-OE1 3.41Å; K652-E654 IonicContact NZ-OE1 2.57Å; K652-E654 PolarHBondContact NZ-OE1 3.43Å; K652-E654 IonicContact NZ-OE2 3.36Å
653	I	79.1	Confident	85.7	Confident	26 Å²	26	65.3 Å²	65.3	13%	0.133	34%	0.335	C	S	.	.			trans	-95.6	107.3	174.3	-60.4	154	0	0	0	107.9	V643 R646 L647 V770	V643-I653 HydrophobicContact CB-CD1 4.41Å; V643-I653 HydrophobicContact CG1-CD1 3.31Å; V643-I653 HydrophobicContact CG1-CG1 4.34Å; R646-I653 HydrophobicContact CB-CG1 4.23Å; L647-I653 HydrophobicContact CD1-CD1 3.68Å; L647-I653 HydrophobicContact CD2-CD1 3.78Å; L647-I653 HydrophobicContact CG-CD1 3.4Å; L647-I653 HydrophobicContact CG-CG1 4.42Å; I653-V770 HydrophobicContact CD1-CB 4.29Å; I653-V770 HydrophobicContact CD1-CG2 3.76Å; I653-V770 HydrophobicContact CG2-CG2 4.24Å
654	E	83.7	Confident	86.4	Confident	106 Å²	106	64.7 Å²	64.7	50%	0.495	33%	0.332	S	S	.	.			trans	-77.3	143	173.2	-65.1	-61.4	154.6	0	0	110.2	K652	K652-E654 VanDerWaalsContact CD-OE1 3.31Å; K652-E654 WeakPolarHBondContact CD-OE1 3.46Å; K652-E654 VanDerWaalsContact CE-OE1 3.29Å; K652-E654 WeakPolarHBondContact CE-OE1 3.41Å; K652-E654 IonicContact NZ-OE1 2.57Å; K652-E654 PolarHBondContact NZ-OE1 3.43Å; K652-E654 IonicContact NZ-OE2 3.36Å
655	P	87.3	Confident	86.9	Confident	78 Å²	78	65.9 Å²	65.9	51%	0.506	34%	0.337	S	S	.	.			trans	-57.6	139.2	172.1	-23	33.6	0	0	0	111.9	M767 A768	P655-M767 HydrophobicContact CB-CE 3.74Å; P655-A768 CarbonylContact C-O 3.32Å; P655-A768 WeakPolarHBondContact CA-O 3.38Å
656	E	90.3	Very high	87.4	Confident	72 Å²	72	62.6 Å²	62.6	34%	0.336	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	139.5	-176.7	-178.8	175.5	-167.5	0	0	111.4	Y658 R722 M767 A768	E656-Y658 HydrophobicContact CB-CE2 3.76Å; E656-Y658 HydrophobicContact CG-CD2 4.28Å; E656-Y658 HydrophobicContact CG-CE2 3.67Å; E656-Y658 WeakPolarHBondContact O-CD2 3.22Å; E656-Y658 PolarHBondContact OE2-OH 3.47Å; E656-R722 IonicContact OE1-CZ 3.22Å; E656-R722 IonicContact OE1-NH1 3.26Å; E656-R722 PolarHBondContact OE1-NH1 3.13Å; E656-R722 IonicContact OE1-NH2 3.17Å; E656-R722 PolarHBondContact OE1-NH2 3.21Å; E656-M767 WeakPolarHBondContact O-CA 3.39Å; E656-A768 PolarHBondContact N-O 3.13Å; E656-A768 PolarHBondContact O-N 2.88Å
657	Y	92.7	Very high	87.9	Confident	128 Å²	128	59.1 Å²	59.1	50%	0.502	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	129.2	174.9	-175.8	-105.6	0	0	0	111.4	Q659 R722 P765 M767	Y657-Q659 HydrophobicContact CE1-CB 4.22Å; Y657-R722 PolarHBondContact O-NH2 3.42Å; Y657-P765 HydrophobicContact CE2-CB 3.97Å; Y657-P765 VanDerWaalsContact OH-CB 3.23Å; Y657-P765 WeakPolarHBondContact OH-CB 3.38Å; Y657-M767 VanDerWaalsContact CA-SD 3.53Å; Y657-M767 VanDerWaalsContact CB-SD 3.51Å; Y657-M767 HydrophobicContact CD2-CG 4.19Å; Y657-M767 HydrophobicContact CD2-SD 3.66Å; Y657-M767 HydrophobicContact CG-SD 4.08Å
658	Y	93.7	Very high	88.4	Confident	5 Å²	5	56.4 Å²	56.4	2%	0.02	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	116.4	174.1	-66.1	-100	0	0	0	108.5	E656 S660 V661 G718 L719 P720 R722 P765 V766 A768	E656-Y658 HydrophobicContact CB-CE2 3.76Å; E656-Y658 HydrophobicContact CG-CD2 4.28Å; E656-Y658 HydrophobicContact CG-CE2 3.67Å; E656-Y658 WeakPolarHBondContact O-CD2 3.22Å; E656-Y658 PolarHBondContact OE2-OH 3.47Å; Y658-S660 VanDerWaalsContact C-N 3.33Å; Y658-S660 PolarHBondContact O-N 2.92Å; Y658-V661 HydrophobicContact CG-CG1 4.4Å; Y658-G718 WeakPolarHBondContact CD1-O 3.45Å; Y658-L719 HydrophobicContact CD1-CB 3.62Å; Y658-L719 HydrophobicContact CD2-CB 4.34Å; Y658-L719 HydrophobicContact CD2-CD2 4.28Å; Y658-L719 HydrophobicContact CE1-CB 3.5Å; Y658-L719 VanDerWaalsContact CE1-CB 3.5Å; Y658-L719 HydrophobicContact CE2-CB 4.27Å; Y658-L719 HydrophobicContact CG-CB 4.06Å; Y658-L719 HydrophobicContact CG-CD2 4.31Å; Y658-P720 WeakPolarHBondContact CE1-O 3.4Å; Y658-P720 PolarHBondContact OH-O 3.27Å; Y658-P720 VanDerWaalsContact OH-O 3.08Å; Y658-R722 HydrophobicContact CD1-CG 4.04Å; Y658-R722 HydrophobicContact CE1-CG 4.08Å; Y658-P765 CarbonylContact O-C 3.5Å; Y658-P765 VanDerWaalsContact O-CA 3.24Å; Y658-P765 WeakPolarHBondContact O-CA 3.5Å; Y658-V766 PolarHBondContact N-O 3.18Å; Y658-V766 PolarHBondContact O-N 3.09Å; Y658-A768 HydrophobicContact CD2-CB 4.06Å; Y658-A768 HydrophobicContact CE2-CB 3.84Å
659	Q	92.5	Very high	88.9	Confident	157 Å²	157	53.7 Å²	53.7	73%	0.734	28%	0.28	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.3	-33.9	-174	-175.9	176.4	4.6	0	0	113.1	Y657 P765	Y657-Q659 HydrophobicContact CE1-CB 4.22Å; Q659-P765 WeakPolarHBondContact O-CA 3.38Å; Q659-P765 WeakPolarHBondContact O-CB 3.43Å
660	S	93.6	Very high	89	Confident	40 Å²	40	51.4 Å²	51.4	28%	0.28	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	123.1	179.5	-175.7	0	0	0	0	109.4	Y658 H727	Y658-S660 VanDerWaalsContact C-N 3.33Å; Y658-S660 PolarHBondContact O-N 2.92Å; S660-H727 PolarHBondContact O-CD2 2.76Å; S660-H727 PolarHBondContact OG-CE1 3.45Å; S660-H727 PolarHBondContact OG-NE2 3.25Å
661	V	96.4	Very high	89.3	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	158.6	169.2	-61.1	0	0	0	0	108.3	Y658 I663 V716 S717 L719 S763 G764 V766	Y658-V661 HydrophobicContact CG-CG1 4.4Å; V661-I663 HydrophobicContact CG2-CG1 4.24Å; V661-V716 HydrophobicContact CB-CG2 3.91Å; V661-V716 HydrophobicContact CG2-CG2 4.05Å; V661-S717 WeakPolarHBondContact CA-O 3.32Å; V661-S717 WeakPolarHBondContact CB-O 3.28Å; V661-L719 HydrophobicContact CG1-CB 4.25Å; V661-L719 HydrophobicContact CG1-CD2 3.8Å; V661-L719 HydrophobicContact CG1-CG 4.09Å; V661-S763 CarbonylContact O-C 3.58Å; V661-S763 WeakPolarHBondContact O-CA 3.39Å; V661-G764 WeakPolarHBondContact CG2-O 3.47Å; V661-G764 PolarHBondContact N-O 3.45Å; V661-G764 PolarHBondContact O-N 2.79Å; V661-V766 HydrophobicContact CB-CG2 4.39Å; V661-V766 HydrophobicContact CG1-CG2 3.99Å; V661-V766 HydrophobicContact CG2-CB 4.22Å; V661-V766 HydrophobicContact CG2-CG1 3.72Å; V661-V766 HydrophobicContact CG2-CG2 3.48Å; V661-V766 VanDerWaalsContact CG2-CG2 3.48Å
662	T	97.2	Very high	89.5	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	128.6	169.2	-59.9	0	0	0	0	109	V716 S717 H727 V728 I731 V761 H762 S763	T662-V716 WeakPolarHBondContact O-CA 3.31Å; T662-V716 WeakPolarHBondContact O-CG2 3.28Å; T662-S717 PolarHBondContact N-O 2.81Å; T662-S717 PolarHBondContact O-N 3.49Å; T662-H727 PolarHBondContact N-ND1 2.82Å; T662-H727 PolarHBondContact OG1-CE1 2.99Å; T662-H727 PolarHBondContact OG1-ND1 3.38Å; T662-V728 HydrophobicContact CG2-CG2 4.37Å; T662-V728 VanDerWaalsContact OG1-CA 3.31Å; T662-V728 WeakPolarHBondContact OG1-CA 3.17Å; T662-V728 WeakPolarHBondContact OG1-CB 3.18Å; T662-V728 PolarHBondContact OG1-N 3.38Å; T662-I731 HydrophobicContact CG2-CB 3.73Å; T662-I731 HydrophobicContact CG2-CG1 4.04Å; T662-I731 HydrophobicContact CG2-CG2 3.67Å; T662-I731 WeakPolarHBondContact O-CG1 3.34Å; T662-V761 HydrophobicContact CG2-CG1 3.32Å; T662-H762 WeakPolarHBondContact CA-O 3.47Å; T662-S763 PolarHBondContact OG1-OG 2.88Å
663	I	95.9	Very high	90	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	-107.1	128.9	179.1	-59.5	178.8	0	0	0	108.7	V661 F665 M714 C715 V716 V761 H762 V766 L780 T784 V785 A788	V661-I663 HydrophobicContact CG2-CG1 4.24Å; I663-F665 HydrophobicContact CG2-CD2 4.06Å; I663-M714 HydrophobicContact CD1-CE 4.1Å; I663-M714 HydrophobicContact CG2-CE 3.74Å; I663-M714 HydrophobicContact CG2-CG 4.14Å; I663-C715 WeakPolarHBondContact CA-O 3.44Å; I663-V716 HydrophobicContact CG1-CB 4.48Å; I663-V716 HydrophobicContact CG1-CG2 4.03Å; I663-V761 WeakPolarHBondContact O-CA 3.4Å; I663-H762 PolarHBondContact N-O 3.42Å; I663-H762 PolarHBondContact O-N 3.29Å; I663-H762 VanDerWaalsContact O-N 3.14Å; I663-V766 HydrophobicContact CD1-CG1 4.07Å; I663-L780 HydrophobicContact CD1-CD2 4.35Å; I663-T784 HydrophobicContact CD1-CG2 3.83Å; I663-T784 HydrophobicContact CG1-CG2 4.34Å; I663-V785 HydrophobicContact CD1-CB 4.33Å; I663-V785 HydrophobicContact CD1-CG2 3.76Å; I663-A788 HydrophobicContact CB-CB 3.84Å; I663-A788 HydrophobicContact CG2-CB 3.66Å
664	Y	95.7	Very high	90.2	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	133	165.5	175.1	-87.9	0	0	0	109.4	S666 Y713 M714 C715 A735 L738 V759 V761	Y664-S666 VanDerWaalsContact CE1-OG 3.31Å; Y664-S666 WeakPolarHBondContact CE1-OG 3.27Å; Y664-S666 VanDerWaalsContact OH-CB 3.23Å; Y664-S666 WeakPolarHBondContact OH-CB 3.28Å; Y664-S666 PolarHBondContact OH-OG 2.98Å; Y664-Y713 HydrophobicContact CE1-CD1 4.19Å; Y664-M714 WeakPolarHBondContact O-CA 3.43Å; Y664-C715 HydrophobicContact CD1-CB 4.37Å; Y664-C715 PolarHBondContact N-O 3.5Å; Y664-C715 PolarHBondContact O-N 3.31Å; Y664-A735 HydrophobicContact CD2-CB 3.79Å; Y664-A735 HydrophobicContact CE2-CB 3.71Å; Y664-L738 HydrophobicContact CE1-CD1 3.97Å; Y664-L738 HydrophobicContact CE2-CD1 4.23Å; Y664-V759 HydrophobicContact CD2-CG1 3.75Å; Y664-V759 HydrophobicContact CE2-CB 4.3Å; Y664-V759 HydrophobicContact CE2-CG1 3.26Å; Y664-V759 HydrophobicContact CE2-CG2 4.07Å; Y664-V761 HydrophobicContact CD2-CG2 4.44Å
665	F	93.5	Very high	90.2	Very high	24 Å²	24	41.3 Å²	41.3	11%	0.105	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	132.1	169.2	-120.5	-82.1	0	0	0	108.8	I663 A712 M714 V759 G760 V785 A788 E792	I663-F665 HydrophobicContact CG2-CD2 4.06Å; F665-A712 HydrophobicContact CD1-CB 4.47Å; F665-A712 HydrophobicContact CE1-CB 3.94Å; F665-M714 HydrophobicContact CD2-CB 4.4Å; F665-M714 HydrophobicContact CD2-CG 3.99Å; F665-M714 HydrophobicContact CD2-SD 4.37Å; F665-M714 HydrophobicContact CE2-CB 4.13Å; F665-M714 HydrophobicContact CE2-CE 4.31Å; F665-M714 HydrophobicContact CE2-CG 3.73Å; F665-M714 HydrophobicContact CE2-SD 3.58Å; F665-M714 VanDerWaalsContact CE2-SD 3.58Å; F665-M714 HydrophobicContact CZ-CB 4.28Å; F665-M714 HydrophobicContact CZ-CG 4.33Å; F665-M714 HydrophobicContact CZ-SD 4.11Å; F665-V759 WeakPolarHBondContact O-CA 3.38Å; F665-G760 PolarHBondContact N-O 2.86Å; F665-G760 PolarHBondContact O-N 2.76Å; F665-V785 HydrophobicContact CE2-CG1 4.14Å; F665-A788 HydrophobicContact CD2-CB 4.18Å; F665-E792 HydrophobicContact CB-CB 3.97Å
666	S	92.2	Very high	90.2	Very high	2 Å²	2	42.2 Å²	42.2	1%	0.014	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	151.7	168.1	66.3	0	0	0	0	113.2	Y664 A712 Y713 R758	Y664-S666 VanDerWaalsContact CE1-OG 3.31Å; Y664-S666 WeakPolarHBondContact CE1-OG 3.27Å; Y664-S666 VanDerWaalsContact OH-CB 3.23Å; Y664-S666 WeakPolarHBondContact OH-CB 3.28Å; Y664-S666 PolarHBondContact OH-OG 2.98Å; S666-A712 CarbonylContact O-C 3.57Å; S666-A712 VanDerWaalsContact O-CA 3.27Å; S666-A712 WeakPolarHBondContact O-CA 3.44Å; S666-Y713 PolarHBondContact N-O 3.12Å; S666-Y713 PolarHBondContact O-N 2.78Å; S666-R758 WeakPolarHBondContact CA-O 3.24Å; S666-R758 VanDerWaalsContact CB-O 3.26Å; S666-R758 WeakPolarHBondContact CB-O 3.39Å
667	D	91.2	Very high	90	Very high	25 Å²	25	43.2 Å²	43.2	13%	0.134	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	152.2	176.5	-178	38.7	0	0	0	110.5	V757 R758 E792	D667-V757 CarbonylContact O-C 3.53Å; D667-V757 VanDerWaalsContact O-CA 3.26Å; D667-V757 WeakPolarHBondContact O-CA 3.46Å; D667-R758 PolarHBondContact N-O 3.24Å; D667-R758 VanDerWaalsContact N-O 3.11Å; D667-R758 PolarHBondContact O-N 3.21Å; D667-R758 IonicContact OD2-CZ 2.93Å; D667-R758 IonicContact OD2-NH2 2.72Å; D667-R758 PolarHBondContact OD2-NH2 2.7Å; D667-E792 VanDerWaalsContact CB-CD 3.43Å; D667-E792 HydrophobicContact CB-CG 4.09Å; D667-E792 VanDerWaalsContact CB-OE1 3.25Å; D667-E792 WeakPolarHBondContact CB-OE1 3.32Å
668	I	89.4	Confident	89.7	Confident	4 Å²	4	37.9 Å²	37.9	2%	0.021	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	124.6	179.2	-61.2	169.8	0	0	0	109.4	S670 F671 L687 L690 D711 L755	I668-S670 PolarHBondContact O-N 2.95Å; I668-F671 HydrophobicContact CB-CB 3.99Å; I668-F671 HydrophobicContact CB-CD2 4.11Å; I668-F671 HydrophobicContact CB-CG 4.39Å; I668-F671 HydrophobicContact CD1-CD2 3.79Å; I668-F671 HydrophobicContact CD1-CE2 4.1Å; I668-F671 HydrophobicContact CG2-CB 4.1Å; I668-F671 HydrophobicContact CG2-CD2 4.11Å; I668-F671 PolarHBondContact O-N 3.13Å; I668-L687 HydrophobicContact CD1-CD2 4.01Å; I668-L690 HydrophobicContact CD1-CD2 3.47Å; I668-L690 VanDerWaalsContact CD1-CD2 3.47Å; I668-L690 HydrophobicContact CG1-CD2 3.93Å; I668-D711 HydrophobicContact CD1-CB 4.36Å; I668-L755 HydrophobicContact CG2-CD1 3.62Å; I668-L755 HydrophobicContact CG2-CG 4.38Å
669	V	88.5	Confident	89.5	Confident	25 Å²	25	41.5 Å²	41.5	15%	0.152	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	127.4	178.9	-178	0	0	0	0	110.2	F671 Q756 R758 P797	V669-F671 PolarHBondContact O-N 2.63Å; V669-Q756 HydrophobicContact CB-CB 4.09Å; V669-Q756 HydrophobicContact CG2-CB 4.02Å; V669-Q756 PolarHBondContact N-O 3.43Å; V669-R758 HydrophobicContact CG2-CG 3.99Å; V669-P797 HydrophobicContact CG1-CG 4.35Å; V669-P797 HydrophobicContact CG2-CB 4.08Å; V669-P797 HydrophobicContact CG2-CG 4.13Å
670	S	83.5	Confident	89.2	Confident	63 Å²	63	37.9 Å²	37.9	44%	0.441	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.8	32.8	180	-53.4	0	0	0	0	113.6	I668 T672 T673 L674	I668-S670 PolarHBondContact O-N 2.95Å; S670-T672 VanDerWaalsContact C-N 3.32Å; S670-T672 PolarHBondContact O-N 2.89Å; S670-T673 WeakPolarHBondContact O-CB 3.45Å; S670-T673 PolarHBondContact O-N 2.8Å; S670-L674 PolarHBondContact O-N 2.92Å
671	F	84.3	Confident	88.9	Confident	28 Å²	28	41.7 Å²	41.7	12%	0.123	26%	0.255	C	S	.	.	H	α-helix	trans	-55	-45.2	177.4	-176	-110.8	0	0	0	112.7	I668 V669 T673 L674 C675 V683 L687 D711	I668-F671 HydrophobicContact CB-CB 3.99Å; I668-F671 HydrophobicContact CB-CD2 4.11Å; I668-F671 HydrophobicContact CB-CG 4.39Å; I668-F671 HydrophobicContact CD1-CD2 3.79Å; I668-F671 HydrophobicContact CD1-CE2 4.1Å; I668-F671 HydrophobicContact CG2-CB 4.1Å; I668-F671 HydrophobicContact CG2-CD2 4.11Å; I668-F671 PolarHBondContact O-N 3.13Å; V669-F671 PolarHBondContact O-N 2.63Å; F671-T673 VanDerWaalsContact C-N 3.26Å; F671-T673 PolarHBondContact O-N 2.95Å; F671-L674 WeakPolarHBondContact O-CB 3.24Å; F671-L674 PolarHBondContact O-N 3.31Å; F671-C675 WeakPolarHBondContact CE1-SG 3.43Å; F671-C675 VanDerWaalsContact CE2-SG 3.52Å; F671-C675 WeakPolarHBondContact CZ-SG 3.29Å; F671-C675 WeakPolarHBondContact O-CB 3.19Å; F671-C675 PolarHBondContact O-N 3.44Å; F671-C675 PolarHBondContact O-SG 3.36Å; F671-C675 VanDerWaalsContact O-SG 3.37Å; F671-V683 HydrophobicContact CZ-CG1 4.15Å; F671-L687 HydrophobicContact CE2-CD1 4.48Å; F671-L687 HydrophobicContact CE2-CD2 3.71Å; F671-L687 HydrophobicContact CE2-CG 4.21Å; F671-L687 HydrophobicContact CZ-CD1 4.04Å; F671-L687 HydrophobicContact CZ-CD2 3.98Å; F671-L687 HydrophobicContact CZ-CG 4.27Å; F671-D711 HydrophobicContact CB-CB 4.28Å; F671-D711 WeakPolarHBondContact CB-OD2 3.49Å; F671-D711 HydrophobicContact CD1-CB 3.5Å; F671-D711 VanDerWaalsContact CD1-CG 3.41Å; F671-D711 WeakPolarHBondContact CD1-OD2 3.49Å; F671-D711 HydrophobicContact CD2-CB 3.97Å; F671-D711 HydrophobicContact CE1-CB 3.69Å; F671-D711 HydrophobicContact CE2-CB 4.15Å; F671-D711 HydrophobicContact CG-CB 3.64Å; F671-D711 WeakPolarHBondContact CG-OD2 3.3Å; F671-D711 HydrophobicContact CZ-CB 4.01Å
672	T	83.2	Confident	88.6	Confident	115 Å²	115	44.7 Å²	44.7	71%	0.706	27%	0.269	S	S	*	.	H	α-helix	trans	-56.5	-41.5	178.6	-44.2	0	0	0	0	112	S670 C675 S676	S670-T672 VanDerWaalsContact C-N 3.32Å; S670-T672 PolarHBondContact O-N 2.89Å; T672-C675 PolarHBondContact O-N 3.38Å; T672-S676 PolarHBondContact O-N 3Å
673	T	85.3	Confident	88.2	Confident	63 Å²	63	45.6 Å²	45.6	39%	0.387	28%	0.275	S	S	.	.	H	α-helix	trans	-66.9	-45.8	176	-49	0	0	0	0	110.9	S670 F671 C675 S676 E677	S670-T673 WeakPolarHBondContact O-CB 3.45Å; S670-T673 PolarHBondContact O-N 2.8Å; F671-T673 VanDerWaalsContact C-N 3.26Å; F671-T673 PolarHBondContact O-N 2.95Å; T673-C675 VanDerWaalsContact C-N 3.27Å; T673-C675 PolarHBondContact O-N 3.11Å; T673-S676 WeakPolarHBondContact CA-OG 3.31Å; T673-S676 PolarHBondContact O-N 3.2Å; T673-S676 VanDerWaalsContact O-N 3.16Å; T673-S676 PolarHBondContact O-OG 2.93Å; T673-E677 WeakPolarHBondContact CG2-OE1 3.43Å; T673-E677 WeakPolarHBondContact O-CG 3.44Å; T673-E677 PolarHBondContact O-N 3.11Å; T673-E677 VanDerWaalsContact O-N 3.15Å
674	L	83.9	Confident	87.7	Confident	2 Å²	2	50 Å²	50	1%	0.01	30%	0.301	C	S	.	.	H	α-helix	trans	-59	-39.6	177.7	-174	62.1	0	0	0	111.9	S670 F671 E677 S678 L686 I747 L755	S670-L674 PolarHBondContact O-N 2.92Å; F671-L674 WeakPolarHBondContact O-CB 3.24Å; F671-L674 PolarHBondContact O-N 3.31Å; L674-E677 PolarHBondContact O-N 3.26Å; L674-S678 WeakPolarHBondContact O-CB 3.32Å; L674-S678 PolarHBondContact O-N 3.39Å; L674-S678 PolarHBondContact O-OG 3.06Å; L674-L686 HydrophobicContact CD2-CD2 3.36Å; L674-L686 HydrophobicContact CG-CD2 4.12Å; L674-I747 HydrophobicContact CD2-CD1 4.36Å; L674-L755 HydrophobicContact CD2-CD1 4.21Å
675	C	83.6	Confident	87.3	Confident	36 Å²	36	53.8 Å²	53.8	24%	0.243	32%	0.322	C	S	.	.	H	α-helix	trans	-68.4	-39.9	174.8	-71.9	0	0	0	0	113	F671 T672 T673 E677 S678 V683	F671-C675 WeakPolarHBondContact CE1-SG 3.43Å; F671-C675 VanDerWaalsContact CE2-SG 3.52Å; F671-C675 WeakPolarHBondContact CZ-SG 3.29Å; F671-C675 WeakPolarHBondContact O-CB 3.19Å; F671-C675 PolarHBondContact O-N 3.44Å; F671-C675 PolarHBondContact O-SG 3.36Å; F671-C675 VanDerWaalsContact O-SG 3.37Å; T672-C675 PolarHBondContact O-N 3.38Å; T673-C675 VanDerWaalsContact C-N 3.27Å; T673-C675 PolarHBondContact O-N 3.11Å; C675-E677 PolarHBondContact O-N 3.41Å; C675-S678 PolarHBondContact O-N 3.32Å; C675-S678 VanDerWaalsContact O-O 3.06Å; C675-V683 HydrophobicContact CB-CG2 4.24Å; C675-V683 VanDerWaalsContact SG-CG1 3.58Å
676	S	86.8	Confident	87	Confident	97 Å²	97	52.8 Å²	52.8	68%	0.678	32%	0.317	S	S	*	.	H	α-helix	trans	-65.5	-24.8	177.7	69.9	0	0	0	0	113.4	T672 T673	T672-S676 PolarHBondContact O-N 3Å; T673-S676 WeakPolarHBondContact CA-OG 3.31Å; T673-S676 PolarHBondContact O-N 3.2Å; T673-S676 VanDerWaalsContact O-N 3.16Å; T673-S676 PolarHBondContact O-OG 2.93Å
677	E	86.2	Confident	86.8	Confident	93 Å²	93	54.2 Å²	54.2	44%	0.435	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-2.9	-177.2	-64.6	172.3	178.3	0	0	113.5	T673 L674 C675 R750 R753	T673-E677 WeakPolarHBondContact CG2-OE1 3.43Å; T673-E677 WeakPolarHBondContact O-CG 3.44Å; T673-E677 PolarHBondContact O-N 3.11Å; T673-E677 VanDerWaalsContact O-N 3.15Å; L674-E677 PolarHBondContact O-N 3.26Å; C675-E677 PolarHBondContact O-N 3.41Å; E677-R750 VanDerWaalsContact CB-NH1 3.34Å; E677-R750 PolarHBondContact O-NH2 2.87Å; E677-R750 IonicContact OE2-CZ 3.84Å; E677-R750 IonicContact OE2-NH1 2.75Å; E677-R750 PolarHBondContact OE2-NH1 3.36Å; E677-R753 IonicContact OE2-NH1 3.8Å; E677-R753 PolarHBondContact OE2-NH1 3.39Å
678	S	86.8	Confident	86.5	Confident	17 Å²	17	58 Å²	58	12%	0.119	35%	0.345	C	S	.	.	S	Bend	trans	-120.2	151.9	-177.2	-51.7	0	0	0	0	110.1	L674 C675 H749	L674-S678 WeakPolarHBondContact O-CB 3.32Å; L674-S678 PolarHBondContact O-N 3.39Å; L674-S678 PolarHBondContact O-OG 3.06Å; C675-S678 PolarHBondContact O-N 3.32Å; C675-S678 VanDerWaalsContact O-O 3.06Å; S678-H749 PolarHBondContact OG-NE2 3.36Å
679	T	90	Very high	86.4	Confident	80 Å²	80	59.3 Å²	59.3	49%	0.491	36%	0.357	S	S	.	.			trans	-68.3	155.9	170.4	64.5	0	0	0	0	110.6	L681 E682 V683	T679-L681 PolarHBondContact O-N 2.83Å; T679-E682 WeakPolarHBondContact CB-OE2 3.25Å; T679-E682 PolarHBondContact N-OE2 2.72Å; T679-E682 PolarHBondContact O-N 3.14Å; T679-E682 VanDerWaalsContact O-N 3.07Å; T679-E682 WeakPolarHBondContact OG1-CB 3.44Å; T679-E682 WeakPolarHBondContact OG1-CG 3.49Å; T679-E682 PolarHBondContact OG1-N 3.01Å; T679-E682 PolarHBondContact OG1-OE2 3.48Å; T679-V683 WeakPolarHBondContact O-CG2 3.46Å; T679-V683 PolarHBondContact O-N 3.43Å
680	A	86.6	Confident	86.4	Confident	82 Å²	82	58.2 Å²	58.2	68%	0.678	35%	0.35	S	S	*	.	H	α-helix	trans	-55.2	-37.7	178	0	0	0	0	0	112.6	V683 V684	A680-V683 PolarHBondContact O-N 2.94Å; A680-V684 VanDerWaalsContact O-CG2 3.3Å; A680-V684 WeakPolarHBondContact O-CG2 3.31Å; A680-V684 PolarHBondContact O-N 2.81Å
681	L	87.7	Confident	86.6	Confident	120 Å²	120	57.2 Å²	57.2	63%	0.628	34%	0.337	S	S	*	.	H	α-helix	trans	-67.1	-41	177.7	-174.5	145.6	0	0	0	112	T679 V684 N685	T679-L681 PolarHBondContact O-N 2.83Å; L681-V684 PolarHBondContact O-N 2.87Å; L681-N685 VanDerWaalsContact CD2-ND2 3.34Å; L681-N685 WeakPolarHBondContact CD2-ND2 3.3Å; L681-N685 PolarHBondContact O-N 3.06Å
682	E	90.2	Very high	86.7	Confident	62 Å²	62	58.9 Å²	58.9	29%	0.29	35%	0.349	S	S	.	.	H	α-helix	trans	-65.8	-40.7	175.8	-72.6	165.7	152	0	0	112.2	T679 V684 N685 L686 H749	T679-E682 WeakPolarHBondContact CB-OE2 3.25Å; T679-E682 PolarHBondContact N-OE2 2.72Å; T679-E682 PolarHBondContact O-N 3.14Å; T679-E682 VanDerWaalsContact O-N 3.07Å; T679-E682 WeakPolarHBondContact OG1-CB 3.44Å; T679-E682 WeakPolarHBondContact OG1-CG 3.49Å; T679-E682 PolarHBondContact OG1-N 3.01Å; T679-E682 PolarHBondContact OG1-OE2 3.48Å; E682-V684 VanDerWaalsContact C-N 3.34Å; E682-V684 PolarHBondContact O-N 3.03Å; E682-N685 PolarHBondContact O-N 3.34Å; E682-L686 WeakPolarHBondContact O-CB 3.32Å; E682-L686 PolarHBondContact O-N 2.83Å; E682-H749 HydrophobicContact CB-CB 4.25Å; E682-H749 HydrophobicContact CG-CB 3.85Å; E682-H749 IonicContact OE2-CD2 3.78Å
683	V	87.3	Confident	87.1	Confident	20 Å²	20	55 Å²	55	12%	0.121	32%	0.324	C	S	.	.	H	α-helix	trans	-60.4	-45	174.8	175.3	0	0	0	0	110.7	F671 C675 T679 A680 L686 L687	F671-V683 HydrophobicContact CZ-CG1 4.15Å; C675-V683 HydrophobicContact CB-CG2 4.24Å; C675-V683 VanDerWaalsContact SG-CG1 3.58Å; T679-V683 WeakPolarHBondContact O-CG2 3.46Å; T679-V683 PolarHBondContact O-N 3.43Å; A680-V683 PolarHBondContact O-N 2.94Å; V683-L686 PolarHBondContact O-N 2.83Å; V683-L687 HydrophobicContact CG1-CD1 4.22Å; V683-L687 WeakPolarHBondContact O-CG 3.48Å; V683-L687 PolarHBondContact O-N 3.49Å
684	V	86.1	Confident	87.3	Confident	91 Å²	91	52.1 Å²	52.1	55%	0.552	31%	0.306	S	S	*	.	H	α-helix	trans	-62.8	-45.1	177.7	170.8	0	0	0	0	111.2	A680 L681 E682 L686 L687 N688	A680-V684 VanDerWaalsContact O-CG2 3.3Å; A680-V684 WeakPolarHBondContact O-CG2 3.31Å; A680-V684 PolarHBondContact O-N 2.81Å; L681-V684 PolarHBondContact O-N 2.87Å; E682-V684 VanDerWaalsContact C-N 3.34Å; E682-V684 PolarHBondContact O-N 3.03Å; V684-L686 PolarHBondContact O-N 3.16Å; V684-L687 PolarHBondContact O-N 3.15Å; V684-N688 VanDerWaalsContact O-CB 3.3Å; V684-N688 WeakPolarHBondContact O-CB 3.3Å; V684-N688 PolarHBondContact O-N 3.42Å
685	N	86.8	Confident	87.5	Confident	81 Å²	81	54.6 Å²	54.6	43%	0.433	32%	0.319	S	S	.	.	H	α-helix	trans	-63.8	-39.8	178.6	-75.8	-19.2	0	0	0	112.6	L681 E682 A689	L681-N685 VanDerWaalsContact CD2-ND2 3.34Å; L681-N685 WeakPolarHBondContact CD2-ND2 3.3Å; L681-N685 PolarHBondContact O-N 3.06Å; E682-N685 PolarHBondContact O-N 3.34Å; N685-A689 WeakPolarHBondContact O-CB 3.48Å; N685-A689 PolarHBondContact O-N 2.73Å
686	L	87.2	Confident	87.7	Confident	2 Å²	2	57.1 Å²	57.1	1%	0.01	33%	0.33	C	S	.	.	H	α-helix	trans	-61.1	-52.8	173.9	166.3	61.9	0	0	0	111.4	L674 E682 V683 V684 N688 A689 L690 F745 I747	L674-L686 HydrophobicContact CD2-CD2 3.36Å; L674-L686 HydrophobicContact CG-CD2 4.12Å; E682-L686 WeakPolarHBondContact O-CB 3.32Å; E682-L686 PolarHBondContact O-N 2.83Å; V683-L686 PolarHBondContact O-N 2.83Å; V684-L686 PolarHBondContact O-N 3.16Å; L686-N688 VanDerWaalsContact C-N 3.29Å; L686-N688 PolarHBondContact O-N 3.34Å; L686-A689 PolarHBondContact O-N 3.45Å; L686-L690 WeakPolarHBondContact O-CB 3.35Å; L686-L690 PolarHBondContact O-N 2.76Å; L686-F745 HydrophobicContact CD1-CE1 3.64Å; L686-F745 HydrophobicContact CD1-CZ 4.15Å; L686-I747 HydrophobicContact CD1-CB 4.37Å; L686-I747 HydrophobicContact CD1-CG1 3.98Å; L686-I747 HydrophobicContact CD1-CG2 4.06Å; L686-I747 HydrophobicContact CD2-CG2 4.44Å
687	L	87.4	Confident	87.8	Confident	32 Å²	32	53.7 Å²	53.7	17%	0.168	30%	0.304	C	S	.	.	H	α-helix	trans	-59.5	-43.2	179.7	-74.7	177.5	0	0	0	111.1	I668 F671 V683 V684 L690 Y691	I668-L687 HydrophobicContact CD1-CD2 4.01Å; F671-L687 HydrophobicContact CE2-CD1 4.48Å; F671-L687 HydrophobicContact CE2-CD2 3.71Å; F671-L687 HydrophobicContact CE2-CG 4.21Å; F671-L687 HydrophobicContact CZ-CD1 4.04Å; F671-L687 HydrophobicContact CZ-CD2 3.98Å; F671-L687 HydrophobicContact CZ-CG 4.27Å; V683-L687 HydrophobicContact CG1-CD1 4.22Å; V683-L687 WeakPolarHBondContact O-CG 3.48Å; V683-L687 PolarHBondContact O-N 3.49Å; V684-L687 PolarHBondContact O-N 3.15Å; L687-L690 PolarHBondContact O-N 3.25Å; L687-Y691 HydrophobicContact CB-CD2 4.42Å; L687-Y691 HydrophobicContact CB-CE2 4.26Å; L687-Y691 HydrophobicContact CD2-CE2 4.21Å; L687-Y691 WeakPolarHBondContact O-CB 3.44Å; L687-Y691 WeakPolarHBondContact O-CD2 3.45Å; L687-Y691 PolarHBondContact O-N 3.05Å
688	N	85.6	Confident	87.9	Confident	104 Å²	104	50.1 Å²	50.1	56%	0.556	29%	0.288	S	S	*	.	H	α-helix	trans	-62.8	-44.8	178.9	-166.7	42.8	0	0	0	111.8	V684 L686 T692	V684-N688 VanDerWaalsContact O-CB 3.3Å; V684-N688 WeakPolarHBondContact O-CB 3.3Å; V684-N688 PolarHBondContact O-N 3.42Å; L686-N688 VanDerWaalsContact C-N 3.29Å; L686-N688 PolarHBondContact O-N 3.34Å; N688-T692 VanDerWaalsContact O-CB 3.28Å; N688-T692 WeakPolarHBondContact O-CB 3.47Å; N688-T692 PolarHBondContact O-N 3.22Å; N688-T692 PolarHBondContact O-OG1 2.99Å
689	A	87.7	Confident	87.8	Confident	33 Å²	33	57.4 Å²	57.4	27%	0.273	32%	0.32	S	S	.	.	H	α-helix	trans	-64.6	-41.5	177.1	0	0	0	0	0	112.3	N685 L686 M693 F745 P748	N685-A689 WeakPolarHBondContact O-CB 3.48Å; N685-A689 PolarHBondContact O-N 2.73Å; L686-A689 PolarHBondContact O-N 3.45Å; A689-M693 PolarHBondContact O-N 3.42Å; A689-M693 VanDerWaalsContact O-N 3.13Å; A689-F745 HydrophobicContact CB-CE2 4Å; A689-F745 HydrophobicContact CB-CZ 3.76Å; A689-P748 HydrophobicContact CB-CG 4.4Å
690	L	88.5	Confident	87.7	Confident	1 Å²	1	62.7 Å²	62.7	1%	0.005	33%	0.331	C	S	.	.	H	α-helix	trans	-64.9	-50.9	177.5	-178.4	65.9	0	0	0	111.6	I668 L686 L687 T692 M693 F694 V742 F745 L755	I668-L690 HydrophobicContact CD1-CD2 3.47Å; I668-L690 VanDerWaalsContact CD1-CD2 3.47Å; I668-L690 HydrophobicContact CG1-CD2 3.93Å; L686-L690 WeakPolarHBondContact O-CB 3.35Å; L686-L690 PolarHBondContact O-N 2.76Å; L687-L690 PolarHBondContact O-N 3.25Å; L690-T692 VanDerWaalsContact C-N 3.3Å; L690-T692 PolarHBondContact O-N 3.06Å; L690-M693 HydrophobicContact CD1-CE 4.03Å; L690-M693 WeakPolarHBondContact O-CB 3.41Å; L690-M693 PolarHBondContact O-N 3.22Å; L690-M693 VanDerWaalsContact O-N 3.11Å; L690-F694 HydrophobicContact CD1-CD1 4.3Å; L690-F694 HydrophobicContact CD1-CE1 3.72Å; L690-F694 HydrophobicContact CD1-CZ 3.88Å; L690-F694 HydrophobicContact CD2-CZ 4.47Å; L690-F694 HydrophobicContact CG-CE1 4.26Å; L690-F694 HydrophobicContact CG-CE2 4.35Å; L690-F694 HydrophobicContact CG-CZ 4.13Å; L690-F694 PolarHBondContact O-N 3.06Å; L690-V742 HydrophobicContact CD1-CG2 4.26Å; L690-F745 HydrophobicContact CB-CE2 4.48Å; L690-F745 HydrophobicContact CB-CZ 4.17Å; L690-L755 HydrophobicContact CD1-CD2 3.47Å; L690-L755 VanDerWaalsContact CD1-CD2 3.47Å; L690-L755 HydrophobicContact CD2-CD2 3.71Å; L690-L755 HydrophobicContact CG-CD2 4.16Å
691	Y	87.3	Confident	87.9	Confident	42 Å²	42	61 Å²	61	17%	0.165	31%	0.308	C	S	.	.	H	α-helix	trans	-66.4	-32.5	179.8	-66.5	-29.6	0	0	0	112.4	L687 M693 F694 D695 G710 D711 Y713	L687-Y691 HydrophobicContact CB-CD2 4.42Å; L687-Y691 HydrophobicContact CB-CE2 4.26Å; L687-Y691 HydrophobicContact CD2-CE2 4.21Å; L687-Y691 WeakPolarHBondContact O-CB 3.44Å; L687-Y691 WeakPolarHBondContact O-CD2 3.45Å; L687-Y691 PolarHBondContact O-N 3.05Å; Y691-M693 VanDerWaalsContact C-N 3.32Å; Y691-M693 PolarHBondContact O-N 2.92Å; Y691-F694 HydrophobicContact CD1-CD2 4.26Å; Y691-F694 PolarHBondContact O-N 2.9Å; Y691-D695 WeakPolarHBondContact O-CB 3.36Å; Y691-D695 PolarHBondContact O-N 3.36Å; Y691-G710 PolarHBondContact OH-O 2.87Å; Y691-D711 WeakPolarHBondContact OH-CA 3.47Å; Y691-Y713 AromaticContact CD1-CD2 3.53Å; Y691-Y713 HydrophobicContact CD1-CD2 3.53Å; Y691-Y713 AromaticContact CD1-CE2 3.86Å; Y691-Y713 HydrophobicContact CD1-CE2 3.86Å; Y691-Y713 HydrophobicContact CD1-CG 4.48Å; Y691-Y713 AromaticContact CE1-CD2 3.62Å; Y691-Y713 HydrophobicContact CE1-CD2 3.62Å; Y691-Y713 HydrophobicContact CE1-CE2 4.4Å; Y691-Y713 HydrophobicContact CE1-CG 4.36Å; Y691-Y713 HydrophobicContact CG-CD2 4.43Å; Y691-Y713 HydrophobicContact CG-CE2 4.46Å
692	T	87.6	Confident	88.1	Confident	63 Å²	63	59.1 Å²	59.1	39%	0.387	30%	0.299	S	S	.	.	H	α-helix	trans	-61	-43	170.8	-60.2	0	0	0	0	111.1	N688 L690 F694 D695 N696	N688-T692 VanDerWaalsContact O-CB 3.28Å; N688-T692 WeakPolarHBondContact O-CB 3.47Å; N688-T692 PolarHBondContact O-N 3.22Å; N688-T692 PolarHBondContact O-OG1 2.99Å; L690-T692 VanDerWaalsContact C-N 3.3Å; L690-T692 PolarHBondContact O-N 3.06Å; T692-F694 VanDerWaalsContact C-N 3.34Å; T692-F694 PolarHBondContact O-N 2.77Å; T692-D695 PolarHBondContact O-N 2.82Å; T692-N696 WeakPolarHBondContact O-CB 3.15Å; T692-N696 PolarHBondContact O-N 3.05Å; T692-N696 PolarHBondContact O-ND2 3.23Å
693	M	89.8	Confident	88.1	Confident	34 Å²	34	57.1 Å²	57.1	17%	0.167	29%	0.291	C	S	.	.	H	α-helix	trans	-64.4	-39.9	176.4	-175.7	-85.8	-70.1	0	0	111.7	A689 L690 Y691 N697 V742 F745	A689-M693 PolarHBondContact O-N 3.42Å; A689-M693 VanDerWaalsContact O-N 3.13Å; L690-M693 HydrophobicContact CD1-CE 4.03Å; L690-M693 WeakPolarHBondContact O-CB 3.41Å; L690-M693 PolarHBondContact O-N 3.22Å; L690-M693 VanDerWaalsContact O-N 3.11Å; Y691-M693 VanDerWaalsContact C-N 3.32Å; Y691-M693 PolarHBondContact O-N 2.92Å; M693-N697 PolarHBondContact O-N 3Å; M693-N697 PolarHBondContact O-ND2 3.18Å; M693-V742 HydrophobicContact CE-CG2 3.97Å; M693-F745 HydrophobicContact CE-CD2 4.44Å
694	F	90.4	Very high	88.2	Confident	2 Å²	2	58.3 Å²	58.3	1%	0.009	29%	0.293	C	S	.	.	H	α-helix	trans	-66.2	-48.2	176.3	-70.8	2.2	0	0	0	111.9	L690 Y691 T692 N696 N697 I698 Y713 L738 V742 V757	L690-F694 HydrophobicContact CD1-CD1 4.3Å; L690-F694 HydrophobicContact CD1-CE1 3.72Å; L690-F694 HydrophobicContact CD1-CZ 3.88Å; L690-F694 HydrophobicContact CD2-CZ 4.47Å; L690-F694 HydrophobicContact CG-CE1 4.26Å; L690-F694 HydrophobicContact CG-CE2 4.35Å; L690-F694 HydrophobicContact CG-CZ 4.13Å; L690-F694 PolarHBondContact O-N 3.06Å; Y691-F694 HydrophobicContact CD1-CD2 4.26Å; Y691-F694 PolarHBondContact O-N 2.9Å; T692-F694 VanDerWaalsContact C-N 3.34Å; T692-F694 PolarHBondContact O-N 2.77Å; F694-N696 VanDerWaalsContact C-N 3.31Å; F694-N696 PolarHBondContact O-N 2.92Å; F694-N697 WeakPolarHBondContact O-CB 3.33Å; F694-N697 PolarHBondContact O-N 3.08Å; F694-I698 PolarHBondContact O-N 3.04Å; F694-Y713 HydrophobicContact CB-CD1 4.44Å; F694-Y713 HydrophobicContact CB-CE1 3.7Å; F694-Y713 HydrophobicContact CB-CE2 3.99Å; F694-Y713 VanDerWaalsContact CB-CZ 3.44Å; F694-Y713 WeakPolarHBondContact CB-OH 2.99Å; F694-Y713 AromaticContact CD2-CD1 3.5Å; F694-Y713 HydrophobicContact CD2-CD1 3.5Å; F694-Y713 VanDerWaalsContact CD2-CD1 3.5Å; F694-Y713 AromaticContact CD2-CD2 3.81Å; F694-Y713 HydrophobicContact CD2-CD2 3.81Å; F694-Y713 AromaticContact CD2-CE1 3.64Å; F694-Y713 HydrophobicContact CD2-CE1 3.64Å; F694-Y713 AromaticContact CD2-CE2 3.96Å; F694-Y713 HydrophobicContact CD2-CE2 3.96Å; F694-Y713 AromaticContact CD2-CG 3.56Å; F694-Y713 HydrophobicContact CD2-CG 3.56Å; F694-Y713 AromaticContact CD2-CZ 3.88Å; F694-Y713 HydrophobicContact CE2-CD1 4.11Å; F694-Y713 HydrophobicContact CE2-CG 4.06Å; F694-Y713 HydrophobicContact CG-CD1 4.38Å; F694-Y713 HydrophobicContact CG-CE1 4.1Å; F694-L738 HydrophobicContact CB-CD2 4.09Å; F694-L738 HydrophobicContact CD1-CD2 3.59Å; F694-L738 HydrophobicContact CD1-CG 4.47Å; F694-L738 HydrophobicContact CE1-CB 4.39Å; F694-L738 HydrophobicContact CE1-CD2 4.15Å; F694-L738 HydrophobicContact CG-CD1 4.43Å; F694-L738 HydrophobicContact CG-CD2 3.96Å; F694-V742 HydrophobicContact CE1-CG2 3.6Å; F694-V742 HydrophobicContact CZ-CG2 3.85Å; F694-V757 HydrophobicContact CZ-CG1 4.44Å
695	D	87.3	Confident	88.4	Confident	54 Å²	54	57.7 Å²	57.7	29%	0.289	28%	0.283	S	S	.	.	H	α-helix	trans	-59.5	-41.7	-179	-70	-8.4	0	0	0	110.9	Y691 T692 N697 I698 E699 K705 Y713	Y691-D695 WeakPolarHBondContact O-CB 3.36Å; Y691-D695 PolarHBondContact O-N 3.36Å; T692-D695 PolarHBondContact O-N 2.82Å; D695-N697 PolarHBondContact O-N 3.47Å; D695-I698 PolarHBondContact O-N 2.97Å; D695-E699 PolarHBondContact O-N 3.34Å; D695-K705 WeakPolarHBondContact OD1-CD 3.48Å; D695-K705 WeakPolarHBondContact OD1-CE 3.41Å; D695-K705 IonicContact OD1-NZ 2.64Å; D695-K705 PolarHBondContact OD1-NZ 3.36Å; D695-K705 IonicContact OD2-NZ 2.92Å; D695-K705 PolarHBondContact OD2-NZ 2.57Å; D695-Y713 PolarHBondContact N-OH 2.87Å; D695-Y713 PolarHBondContact OD1-OH 2.98Å
696	N	89	Confident	88.3	Confident	90 Å²	90	54.3 Å²	54.3	48%	0.481	27%	0.266	S	S	.	.	H	α-helix	trans	-62.1	-27.8	175	-73.2	-22.4	0	0	0	114	T692 F694	T692-N696 WeakPolarHBondContact O-CB 3.15Å; T692-N696 PolarHBondContact O-N 3.05Å; T692-N696 PolarHBondContact O-ND2 3.23Å; F694-N696 VanDerWaalsContact C-N 3.31Å; F694-N696 PolarHBondContact O-N 2.92Å
697	N	88.1	Confident	87.7	Confident	25 Å²	25	59.9 Å²	59.9	13%	0.134	29%	0.292	C	S	.	.	H	α-helix	trans	-82.6	-37.1	175.8	-81.9	-77.8	0	0	0	111.6	M693 F694 D695 E699 R700 F701 L734 L738	M693-N697 PolarHBondContact O-N 3Å; M693-N697 PolarHBondContact O-ND2 3.18Å; F694-N697 WeakPolarHBondContact O-CB 3.33Å; F694-N697 PolarHBondContact O-N 3.08Å; D695-N697 PolarHBondContact O-N 3.47Å; N697-E699 VanDerWaalsContact C-N 3.27Å; N697-E699 PolarHBondContact O-N 3.36Å; N697-R700 PolarHBondContact O-N 3.42Å; N697-F701 WeakPolarHBondContact O-CD2 3.46Å; N697-F701 WeakPolarHBondContact O-CE2 3.31Å; N697-L734 HydrophobicContact CB-CD1 4.31Å; N697-L738 HydrophobicContact CB-CD2 3.75Å
698	I	88.7	Confident	86.5	Confident	17 Å²	17	60.6 Å²	60.6	9%	0.087	30%	0.297	C	S	.	.	H	α-helix	trans	-56.7	-40.9	178.2	-71	-174.2	0	0	0	111.6	F694 D695 R700 F701 V703 K705 Y713 C715 L734	F694-I698 PolarHBondContact O-N 3.04Å; D695-I698 PolarHBondContact O-N 2.97Å; I698-R700 PolarHBondContact O-N 3.25Å; I698-F701 PolarHBondContact O-N 2.84Å; I698-F701 VanDerWaalsContact O-O 3.12Å; I698-V703 HydrophobicContact CG2-CB 4.39Å; I698-K705 HydrophobicContact CD1-CB 4.03Å; I698-K705 HydrophobicContact CD1-CG 4.49Å; I698-Y713 HydrophobicContact CD1-CE1 3.77Å; I698-Y713 WeakPolarHBondContact CD1-OH 3.38Å; I698-C715 VanDerWaalsContact CD1-SG 3.55Å; I698-L734 HydrophobicContact CG1-CD1 4.01Å; I698-L734 HydrophobicContact CG1-CD2 4.12Å
699	E	84.2	Confident	85.5	Confident	170 Å²	170	63.5 Å²	63.5	79%	0.794	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-18	-177.6	-69.8	-172	168.2	0	0	114.3	D695 N697	D695-E699 PolarHBondContact O-N 3.34Å; N697-E699 VanDerWaalsContact C-N 3.27Å; N697-E699 PolarHBondContact O-N 3.36Å
700	R	88.3	Confident	84.6	Confident	191 Å²	191	64.4 Å²	64.4	72%	0.721	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	-11.1	179.3	-57.5	178.9	-174.7	179.3	0	113.8	N697 I698	N697-R700 PolarHBondContact O-N 3.42Å; I698-R700 PolarHBondContact O-N 3.25Å
701	F	91.6	Very high	83.9	Confident	47 Å²	47	66.1 Å²	66.1	21%	0.206	33%	0.333	C	S	.	.	S	Bend	trans	-126.1	155.8	-172.5	-55.1	-72.9	0	0	0	111.3	N697 I698 V703 R733 L734 A737	N697-F701 WeakPolarHBondContact O-CD2 3.46Å; N697-F701 WeakPolarHBondContact O-CE2 3.31Å; I698-F701 PolarHBondContact O-N 2.84Å; I698-F701 VanDerWaalsContact O-O 3.12Å; F701-V703 HydrophobicContact CB-CG2 3.85Å; F701-V703 PolarHBondContact O-N 2.99Å; F701-R733 HydrophobicContact CD1-CB 4.08Å; F701-R733 HydrophobicContact CE1-CB 3.61Å; F701-R733 HydrophobicContact CZ-CB 4.2Å; F701-L734 HydrophobicContact CD2-CB 4.05Å; F701-L734 HydrophobicContact CD2-CD1 3.82Å; F701-L734 HydrophobicContact CE2-CB 4.41Å; F701-L734 HydrophobicContact CE2-CD1 4.13Å; F701-L734 HydrophobicContact CG-CB 4.46Å; F701-A737 HydrophobicContact CE2-CB 4.33Å; F701-A737 HydrophobicContact CZ-CB 4.38Å
702	D	90.6	Very high	83.6	Confident	81 Å²	81	65 Å²	65	43%	0.433	33%	0.332	S	S	.	.	S	Bend	trans	-78.3	72.1	174.4	-179.4	34.4	0	0	0	110.1	S717 N723 Q730	D702-S717 VanDerWaalsContact O-CB 3.28Å; D702-S717 WeakPolarHBondContact O-CB 3.29Å; D702-S717 PolarHBondContact O-OG 3.48Å; D702-N723 PolarHBondContact OD2-ND2 2.82Å; D702-Q730 HydrophobicContact CB-CG 4.1Å
703	V	91.5	Very high	83.6	Confident	19 Å²	19	62.2 Å²	62.2	12%	0.115	32%	0.315	C	S	.	.			trans	-135.3	135.5	-173.7	178	0	0	0	0	110.2	I698 F701 C715 Q730 I731 L734	I698-V703 HydrophobicContact CG2-CB 4.39Å; F701-V703 HydrophobicContact CB-CG2 3.85Å; F701-V703 PolarHBondContact O-N 2.99Å; V703-C715 HydrophobicContact CG1-CB 3.45Å; V703-C715 VanDerWaalsContact CG1-CB 3.45Å; V703-Q730 HydrophobicContact CG2-CB 4.21Å; V703-I731 HydrophobicContact CG1-CD1 3.84Å; V703-I731 HydrophobicContact CG2-CD1 3.94Å; V703-L734 HydrophobicContact CB-CD2 4.27Å; V703-L734 HydrophobicContact CG1-CD2 3.77Å; V703-L734 HydrophobicContact CG2-CD2 4.1Å
704	Y	89.5	Confident	83.7	Confident	45 Å²	45	61.1 Å²	61.1	18%	0.176	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	129.6	173.2	-178.4	-103.8	0	0	0	110.8	P640 V706 C715 V716 L719 F778	P640-Y704 HydrophobicContact CB-CD2 4.5Å; P640-Y704 HydrophobicContact CB-CE2 4.12Å; P640-Y704 WeakPolarHBondContact CD-OH 3.33Å; P640-Y704 HydrophobicContact CG-CD2 4.19Å; P640-Y704 HydrophobicContact CG-CE1 4.38Å; P640-Y704 HydrophobicContact CG-CE2 3.56Å; Y704-V706 HydrophobicContact CD1-CG2 4.21Å; Y704-V706 HydrophobicContact CE1-CG2 4.44Å; Y704-C715 WeakPolarHBondContact O-CA 3.39Å; Y704-V716 HydrophobicContact CD1-CG1 4.19Å; Y704-V716 PolarHBondContact N-O 3.35Å; Y704-V716 PolarHBondContact O-N 3.25Å; Y704-L719 HydrophobicContact CD1-CD1 4.49Å; Y704-F778 HydrophobicContact CD1-CD1 4.25Å; Y704-F778 HydrophobicContact CE1-CB 4.49Å; Y704-F778 AromaticContact CE1-CD1 3.62Å; Y704-F778 HydrophobicContact CE1-CD1 3.62Å; Y704-F778 HydrophobicContact CE1-CE1 4.38Å
705	K	88.8	Confident	83.8	Confident	79 Å²	79	61 Å²	61	34%	0.343	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	128.4	174	177.6	-178.7	175.6	176.5	0	110.1	D695 I698 Y713	D695-K705 WeakPolarHBondContact OD1-CD 3.48Å; D695-K705 WeakPolarHBondContact OD1-CE 3.41Å; D695-K705 IonicContact OD1-NZ 2.64Å; D695-K705 PolarHBondContact OD1-NZ 3.36Å; D695-K705 IonicContact OD2-NZ 2.92Å; D695-K705 PolarHBondContact OD2-NZ 2.57Å; I698-K705 HydrophobicContact CD1-CB 4.03Å; I698-K705 HydrophobicContact CD1-CG 4.49Å; K705-Y713 HydrophobicContact CD-CE2 4.27Å
706	V	85.2	Confident	84.1	Confident	10 Å²	10	58.4 Å²	58.4	6%	0.061	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	136.1	177.5	-173.8	0	0	0	0	108.6	Y704 T708 M714 V716 L780	Y704-V706 HydrophobicContact CD1-CG2 4.21Å; Y704-V706 HydrophobicContact CE1-CG2 4.44Å; V706-T708 PolarHBondContact O-N 2.84Å; V706-M714 HydrophobicContact CB-CB 4.23Å; V706-M714 HydrophobicContact CB-CG 4.05Å; V706-M714 HydrophobicContact CB-SD 3.95Å; V706-M714 HydrophobicContact CG1-CE 4.44Å; V706-M714 HydrophobicContact CG1-SD 3.9Å; V706-M714 HydrophobicContact CG2-CE 4.26Å; V706-M714 HydrophobicContact CG2-CG 4.26Å; V706-M714 HydrophobicContact CG2-SD 4.3Å; V706-M714 PolarHBondContact N-O 3.5Å; V706-V716 HydrophobicContact CG2-CG1 3.77Å; V706-L780 HydrophobicContact CB-CD1 4.24Å; V706-L780 HydrophobicContact CG1-CD1 3.74Å; V706-L780 HydrophobicContact CG2-CD1 3.4Å
707	E	73.6	Confident	84.4	Confident	118 Å²	118	54.2 Å²	54.2	55%	0.551	27%	0.272	S	S	*	.	P	Polyproline II helix	trans	-64.7	123.3	174.4	-75.4	-166.3	155.8	0	0	111.1	R777	E707-R777 WeakPolarHBondContact OE2-CD 3.41Å; E707-R777 WeakPolarHBondContact OE2-CG 3.23Å; E707-R777 IonicContact OE2-CZ 3.82Å; E707-R777 IonicContact OE2-NE 3.88Å; E707-R777 PolarHBondContact OE2-NE 2.76Å; E707-R777 IonicContact OE2-NH1 3.9Å; E707-R777 PolarHBondContact OE2-NH1 3.15Å
708	T	64.3	Low	84.6	Confident	47 Å²	47	53.1 Å²	53.1	29%	0.288	27%	0.267	S	S	.	.			trans	-114	165.2	179.4	46.8	0	0	0	0	112.1	V706 A712 M714	V706-T708 PolarHBondContact O-N 2.84Å; T708-A712 VanDerWaalsContact CB-O 3.24Å; T708-A712 WeakPolarHBondContact CB-O 3.42Å; T708-A712 PolarHBondContact OG1-O 3.28Å; T708-M714 HydrophobicContact CG2-CB 3.24Å; T708-M714 HydrophobicContact CG2-CG 4.46Å
709	I	64.3	Low	84.7	Confident	166 Å²	166	52.7 Å²	52.7	85%	0.851	27%	0.265	S	S	*	.	S	Bend	trans	-105.4	120.5	177.1	-57.1	172.3	0	0	0	107.9
710	G	67.9	Low	84.6	Confident	51 Å²	51	46.1 Å²	46.1	53%	0.526	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	94	-136.9	172.1	0	0	0	0	0	115.2	Y691	Y691-G710 PolarHBondContact OH-O 2.87Å
711	D	74.2	Confident	84.5	Confident	38 Å²	38	43.1 Å²	43.1	20%	0.203	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-6.3	179.4	49.9	-20.3	0	0	0	114.1	I668 F671 Y691	I668-D711 HydrophobicContact CD1-CB 4.36Å; F671-D711 HydrophobicContact CB-CB 4.28Å; F671-D711 WeakPolarHBondContact CB-OD2 3.49Å; F671-D711 HydrophobicContact CD1-CB 3.5Å; F671-D711 VanDerWaalsContact CD1-CG 3.41Å; F671-D711 WeakPolarHBondContact CD1-OD2 3.49Å; F671-D711 HydrophobicContact CD2-CB 3.97Å; F671-D711 HydrophobicContact CE1-CB 3.69Å; F671-D711 HydrophobicContact CE2-CB 4.15Å; F671-D711 HydrophobicContact CG-CB 3.64Å; F671-D711 WeakPolarHBondContact CG-OD2 3.3Å; F671-D711 HydrophobicContact CZ-CB 4.01Å; Y691-D711 WeakPolarHBondContact OH-CA 3.47Å
712	A	79.9	Confident	84.5	Confident	19 Å²	19	48.1 Å²	48.1	16%	0.157	25%	0.247	C	C	.	.			trans	-74.4	139.4	175.1	0	0	0	0	0	111.5	F665 S666 T708	F665-A712 HydrophobicContact CD1-CB 4.47Å; F665-A712 HydrophobicContact CE1-CB 3.94Å; S666-A712 CarbonylContact O-C 3.57Å; S666-A712 VanDerWaalsContact O-CA 3.27Å; S666-A712 WeakPolarHBondContact O-CA 3.44Å; T708-A712 VanDerWaalsContact CB-O 3.24Å; T708-A712 WeakPolarHBondContact CB-O 3.42Å; T708-A712 PolarHBondContact OG1-O 3.28Å
713	Y	88.5	Confident	84.6	Confident	4 Å²	4	44.9 Å²	44.9	2%	0.016	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	120.6	173	-164.8	-100.5	0	0	0	109.9	Y664 S666 Y691 F694 D695 I698 K705 C715	Y664-Y713 HydrophobicContact CE1-CD1 4.19Å; S666-Y713 PolarHBondContact N-O 3.12Å; S666-Y713 PolarHBondContact O-N 2.78Å; Y691-Y713 AromaticContact CD1-CD2 3.53Å; Y691-Y713 HydrophobicContact CD1-CD2 3.53Å; Y691-Y713 AromaticContact CD1-CE2 3.86Å; Y691-Y713 HydrophobicContact CD1-CE2 3.86Å; Y691-Y713 HydrophobicContact CD1-CG 4.48Å; Y691-Y713 AromaticContact CE1-CD2 3.62Å; Y691-Y713 HydrophobicContact CE1-CD2 3.62Å; Y691-Y713 HydrophobicContact CE1-CE2 4.4Å; Y691-Y713 HydrophobicContact CE1-CG 4.36Å; Y691-Y713 HydrophobicContact CG-CD2 4.43Å; Y691-Y713 HydrophobicContact CG-CE2 4.46Å; F694-Y713 HydrophobicContact CB-CD1 4.44Å; F694-Y713 HydrophobicContact CB-CE1 3.7Å; F694-Y713 HydrophobicContact CB-CE2 3.99Å; F694-Y713 VanDerWaalsContact CB-CZ 3.44Å; F694-Y713 WeakPolarHBondContact CB-OH 2.99Å; F694-Y713 AromaticContact CD2-CD1 3.5Å; F694-Y713 HydrophobicContact CD2-CD1 3.5Å; F694-Y713 VanDerWaalsContact CD2-CD1 3.5Å; F694-Y713 AromaticContact CD2-CD2 3.81Å; F694-Y713 HydrophobicContact CD2-CD2 3.81Å; F694-Y713 AromaticContact CD2-CE1 3.64Å; F694-Y713 HydrophobicContact CD2-CE1 3.64Å; F694-Y713 AromaticContact CD2-CE2 3.96Å; F694-Y713 HydrophobicContact CD2-CE2 3.96Å; F694-Y713 AromaticContact CD2-CG 3.56Å; F694-Y713 HydrophobicContact CD2-CG 3.56Å; F694-Y713 AromaticContact CD2-CZ 3.88Å; F694-Y713 HydrophobicContact CE2-CD1 4.11Å; F694-Y713 HydrophobicContact CE2-CG 4.06Å; F694-Y713 HydrophobicContact CG-CD1 4.38Å; F694-Y713 HydrophobicContact CG-CE1 4.1Å; D695-Y713 PolarHBondContact N-OH 2.87Å; D695-Y713 PolarHBondContact OD1-OH 2.98Å; I698-Y713 HydrophobicContact CD1-CE1 3.77Å; I698-Y713 WeakPolarHBondContact CD1-OH 3.38Å; K705-Y713 HydrophobicContact CD-CE2 4.27Å; Y713-C715 VanDerWaalsContact CD1-SG 3.59Å; Y713-C715 WeakPolarHBondContact CE1-SG 3.4Å
714	M	91.3	Very high	84.6	Confident	10 Å²	10	46.3 Å²	46.3	5%	0.049	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	131.1	-174.4	-176.1	-175	173.7	0	0	110.9	I663 Y664 F665 V706 T708 L780 V785	I663-M714 HydrophobicContact CD1-CE 4.1Å; I663-M714 HydrophobicContact CG2-CE 3.74Å; I663-M714 HydrophobicContact CG2-CG 4.14Å; Y664-M714 WeakPolarHBondContact O-CA 3.43Å; F665-M714 HydrophobicContact CD2-CB 4.4Å; F665-M714 HydrophobicContact CD2-CG 3.99Å; F665-M714 HydrophobicContact CD2-SD 4.37Å; F665-M714 HydrophobicContact CE2-CB 4.13Å; F665-M714 HydrophobicContact CE2-CE 4.31Å; F665-M714 HydrophobicContact CE2-CG 3.73Å; F665-M714 HydrophobicContact CE2-SD 3.58Å; F665-M714 VanDerWaalsContact CE2-SD 3.58Å; F665-M714 HydrophobicContact CZ-CB 4.28Å; F665-M714 HydrophobicContact CZ-CG 4.33Å; F665-M714 HydrophobicContact CZ-SD 4.11Å; V706-M714 HydrophobicContact CB-CB 4.23Å; V706-M714 HydrophobicContact CB-CG 4.05Å; V706-M714 HydrophobicContact CB-SD 3.95Å; V706-M714 HydrophobicContact CG1-CE 4.44Å; V706-M714 HydrophobicContact CG1-SD 3.9Å; V706-M714 HydrophobicContact CG2-CE 4.26Å; V706-M714 HydrophobicContact CG2-CG 4.26Å; V706-M714 HydrophobicContact CG2-SD 4.3Å; V706-M714 PolarHBondContact N-O 3.5Å; T708-M714 HydrophobicContact CG2-CB 3.24Å; T708-M714 HydrophobicContact CG2-CG 4.46Å; M714-L780 HydrophobicContact CE-CB 4.33Å; M714-L780 HydrophobicContact CE-CD1 4.4Å; M714-L780 HydrophobicContact CE-CD2 4.12Å; M714-V785 HydrophobicContact CE-CG1 3.89Å; M714-V785 HydrophobicContact CE-CG2 4.15Å; M714-V785 HydrophobicContact SD-CG1 4.4Å
715	C	92.5	Very high	84.8	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	155.7	175.3	-46.9	0	0	0	0	110.3	I663 Y664 I698 V703 Y704 Y713 I731 L734	I663-C715 WeakPolarHBondContact CA-O 3.44Å; Y664-C715 HydrophobicContact CD1-CB 4.37Å; Y664-C715 PolarHBondContact N-O 3.5Å; Y664-C715 PolarHBondContact O-N 3.31Å; I698-C715 VanDerWaalsContact CD1-SG 3.55Å; V703-C715 HydrophobicContact CG1-CB 3.45Å; V703-C715 VanDerWaalsContact CG1-CB 3.45Å; Y704-C715 WeakPolarHBondContact O-CA 3.39Å; Y713-C715 VanDerWaalsContact CD1-SG 3.59Å; Y713-C715 WeakPolarHBondContact CE1-SG 3.4Å; C715-I731 HydrophobicContact CB-CD1 4.34Å; C715-L734 HydrophobicContact CB-CD2 4.11Å
716	V	94.1	Very high	85.1	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	142.8	-178.5	61.6	0	0	0	0	110.7	V661 T662 I663 Y704 V706 L719 L780	V661-V716 HydrophobicContact CB-CG2 3.91Å; V661-V716 HydrophobicContact CG2-CG2 4.05Å; T662-V716 WeakPolarHBondContact O-CA 3.31Å; T662-V716 WeakPolarHBondContact O-CG2 3.28Å; I663-V716 HydrophobicContact CG1-CB 4.48Å; I663-V716 HydrophobicContact CG1-CG2 4.03Å; Y704-V716 HydrophobicContact CD1-CG1 4.19Å; Y704-V716 PolarHBondContact N-O 3.35Å; Y704-V716 PolarHBondContact O-N 3.25Å; V706-V716 HydrophobicContact CG2-CG1 3.77Å; V716-L719 HydrophobicContact CB-CD1 4.46Å; V716-L719 HydrophobicContact CG1-CD1 3.41Å; V716-L719 VanDerWaalsContact CG1-CD1 3.41Å; V716-L719 HydrophobicContact CG1-CG 4Å; V716-L719 HydrophobicContact CG2-CD1 4.23Å; V716-L719 HydrophobicContact CG2-CD2 4.08Å; V716-L719 HydrophobicContact CG2-CG 3.85Å; V716-L780 HydrophobicContact CB-CD2 4.08Å; V716-L780 HydrophobicContact CG1-CD1 4.42Å; V716-L780 HydrophobicContact CG1-CD2 4.01Å; V716-L780 HydrophobicContact CG2-CD2 3.86Å
717	S	95.1	Very high	85.6	Confident	1 Å²	1	50.2 Å²	50.2	1%	0.007	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	157.4	169.1	-171	0	0	0	0	110.3	V661 T662 D702 N723 H727	V661-S717 WeakPolarHBondContact CA-O 3.32Å; V661-S717 WeakPolarHBondContact CB-O 3.28Å; T662-S717 PolarHBondContact N-O 2.81Å; T662-S717 PolarHBondContact O-N 3.49Å; D702-S717 VanDerWaalsContact O-CB 3.28Å; D702-S717 WeakPolarHBondContact O-CB 3.29Å; D702-S717 PolarHBondContact O-OG 3.48Å; S717-N723 PolarHBondContact OG-ND2 2.68Å; S717-H727 VanDerWaalsContact O-CB 3.3Å; S717-H727 WeakPolarHBondContact O-CB 3.34Å; S717-H727 WeakPolarHBondContact OG-CA 3.39Å
718	G	91.9	Very high	86.7	Confident	3 Å²	3	44.6 Å²	44.6	3%	0.031	24%	0.238	C	C	.	.	S	Bend	trans	91.4	-0.1	-172.9	0	0	0	0	0	113.9	Y658 K721 N723	Y658-G718 WeakPolarHBondContact CD1-O 3.45Å; G718-K721 CarbonylContact C-O 3.55Å; G718-N723 WeakPolarHBondContact CA-OD1 3.37Å
719	L	90.6	Very high	88.2	Confident	8 Å²	8	43.4 Å²	43.4	4%	0.042	23%	0.229	C	C	.	.			trans	-147.9	156.7	170.5	65.4	74.8	0	0	0	111.1	Y658 V661 Y704 V716 K721 V766 A768 F778 L780	Y658-L719 HydrophobicContact CD1-CB 3.62Å; Y658-L719 HydrophobicContact CD2-CB 4.34Å; Y658-L719 HydrophobicContact CD2-CD2 4.28Å; Y658-L719 HydrophobicContact CE1-CB 3.5Å; Y658-L719 VanDerWaalsContact CE1-CB 3.5Å; Y658-L719 HydrophobicContact CE2-CB 4.27Å; Y658-L719 HydrophobicContact CG-CB 4.06Å; Y658-L719 HydrophobicContact CG-CD2 4.31Å; V661-L719 HydrophobicContact CG1-CB 4.25Å; V661-L719 HydrophobicContact CG1-CD2 3.8Å; V661-L719 HydrophobicContact CG1-CG 4.09Å; Y704-L719 HydrophobicContact CD1-CD1 4.49Å; V716-L719 HydrophobicContact CB-CD1 4.46Å; V716-L719 HydrophobicContact CG1-CD1 3.41Å; V716-L719 VanDerWaalsContact CG1-CD1 3.41Å; V716-L719 HydrophobicContact CG1-CG 4Å; V716-L719 HydrophobicContact CG2-CD1 4.23Å; V716-L719 HydrophobicContact CG2-CD2 4.08Å; V716-L719 HydrophobicContact CG2-CG 3.85Å; L719-K721 PolarHBondContact N-O 3.11Å; L719-V766 HydrophobicContact CD2-CG2 3.58Å; L719-A768 HydrophobicContact CD2-CB 4.08Å; L719-F778 HydrophobicContact CD1-CE1 3.85Å; L719-L780 HydrophobicContact CD1-CD2 4.47Å; L719-L780 HydrophobicContact CD2-CD2 3.73Å; L719-L780 HydrophobicContact CD2-CG 4.2Å
720	P	82.5	Confident	89.7	Confident	31 Å²	31	37 Å²	37	20%	0.201	20%	0.196	C	C	.	.	S	Bend	cis	-68.6	-16.6	-6.7	33.1	-39	0	0	0	112.8	P640 Y658 F778	P640-P720 HydrophobicContact CB-CG 3.68Å; P640-P720 HydrophobicContact CG-CG 4.21Å; Y658-P720 WeakPolarHBondContact CE1-O 3.4Å; Y658-P720 PolarHBondContact OH-O 3.27Å; Y658-P720 VanDerWaalsContact OH-O 3.08Å; P720-F778 HydrophobicContact CB-CZ 4.23Å
721	K	87.2	Confident	91	Very high	128 Å²	128	34.5 Å²	34.5	56%	0.557	17%	0.171	S	C	*	.	S	Bend	trans	-91.1	121.7	173.8	-68.4	-174.9	-179.7	-179.5	0	110.2	D642 G718 L719 N723	D642-K721 WeakPolarHBondContact OD2-CE 3.23Å; D642-K721 IonicContact OD2-NZ 2.81Å; G718-K721 CarbonylContact C-O 3.55Å; L719-K721 PolarHBondContact N-O 3.11Å; K721-N723 PolarHBondContact O-N 2.91Å
722	R	90.7	Very high	92.1	Very high	152 Å²	152	32.7 Å²	32.7	57%	0.574	16%	0.161	S	C	*	.			trans	-67.4	127.4	173.1	-65.2	-177.7	178.3	86.4	2.1	109.2	E656 Y657 Y658	E656-R722 IonicContact OE1-CZ 3.22Å; E656-R722 IonicContact OE1-NH1 3.26Å; E656-R722 PolarHBondContact OE1-NH1 3.13Å; E656-R722 IonicContact OE1-NH2 3.17Å; E656-R722 PolarHBondContact OE1-NH2 3.21Å; Y657-R722 PolarHBondContact O-NH2 3.42Å; Y658-R722 HydrophobicContact CD1-CG 4.04Å; Y658-R722 HydrophobicContact CE1-CG 4.08Å
723	N	93.1	Very high	92.8	Very high	13 Å²	13	35.1 Å²	35.1	7%	0.07	17%	0.166	C	C	.	.			trans	-122.3	21.1	-178.1	64.5	5.9	0	0	0	113.4	D702 S717 G718 K721 R726 H727	D702-N723 PolarHBondContact OD2-ND2 2.82Å; S717-N723 PolarHBondContact OG-ND2 2.68Å; G718-N723 WeakPolarHBondContact CA-OD1 3.37Å; K721-N723 PolarHBondContact O-N 2.91Å; N723-R726 WeakPolarHBondContact O-CB 3.37Å; N723-R726 PolarHBondContact O-N 3.46Å; N723-H727 WeakPolarHBondContact OD1-CA 3.42Å; N723-H727 VanDerWaalsContact OD1-CB 3.31Å; N723-H727 WeakPolarHBondContact OD1-CB 3.43Å; N723-H727 PolarHBondContact OD1-N 2.63Å; N723-H727 VanDerWaalsContact OD1-N 3.09Å
724	G	92.4	Very high	93.1	Very high	50 Å²	50	34.9 Å²	34.9	52%	0.515	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.2	-149.3	-174.9	0	0	0	0	0	111	R726 H727	G724-R726 PolarHBondContact O-N 2.81Å; G724-R726 VanDerWaalsContact O-N 3.17Å; G724-H727 PolarHBondContact O-CD2 3.08Å
725	N	93.2	Very high	93.2	Very high	64 Å²	64	34.4 Å²	34.4	34%	0.342	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-1.4	177.5	-66	-11.7	0	0	0	113.4	H727 V728 Q812	N725-H727 PolarHBondContact O-N 2.77Å; N725-V728 VanDerWaalsContact O-CG1 3.22Å; N725-V728 WeakPolarHBondContact O-CG1 3.41Å; N725-V728 PolarHBondContact O-N 3.27Å; N725-Q812 PolarHBondContact ND2-NE2 3.28Å; N725-Q812 PolarHBondContact ND2-OE1 2.78Å
726	R	94.5	Very high	93.3	Very high	148 Å²	148	35 Å²	35	56%	0.558	17%	0.166	S	C	*	.	H	α-helix	trans	-65.5	-17.7	177.6	-67.2	-171.3	-66.3	-149.5	2.2	113	N723 G724 V728 E729 Q730 F813	N723-R726 WeakPolarHBondContact O-CB 3.37Å; N723-R726 PolarHBondContact O-N 3.46Å; G724-R726 PolarHBondContact O-N 2.81Å; G724-R726 VanDerWaalsContact O-N 3.17Å; R726-V728 PolarHBondContact O-N 2.98Å; R726-V728 VanDerWaalsContact O-N 3.15Å; R726-E729 WeakPolarHBondContact O-CB 3.48Å; R726-E729 PolarHBondContact O-N 2.97Å; R726-E729 VanDerWaalsContact O-N 3.13Å; R726-Q730 VanDerWaalsContact O-CG 3.27Å; R726-Q730 WeakPolarHBondContact O-CG 3.34Å; R726-Q730 PolarHBondContact O-N 3.33Å; R726-F813 HydrophobicContact CG-CZ 4.32Å
727	H	95.8	Very high	93.3	Very high	3 Å²	3	36 Å²	36	1%	0.014	17%	0.174	C	C	.	.	H	α-helix	trans	-53.6	-35.3	173.9	58.4	70.4	0	0	0	113.2	S660 T662 S717 N723 G724 N725 I731	S660-H727 PolarHBondContact O-CD2 2.76Å; S660-H727 PolarHBondContact OG-CE1 3.45Å; S660-H727 PolarHBondContact OG-NE2 3.25Å; T662-H727 PolarHBondContact N-ND1 2.82Å; T662-H727 PolarHBondContact OG1-CE1 2.99Å; T662-H727 PolarHBondContact OG1-ND1 3.38Å; S717-H727 VanDerWaalsContact O-CB 3.3Å; S717-H727 WeakPolarHBondContact O-CB 3.34Å; S717-H727 WeakPolarHBondContact OG-CA 3.39Å; N723-H727 WeakPolarHBondContact OD1-CA 3.42Å; N723-H727 VanDerWaalsContact OD1-CB 3.31Å; N723-H727 WeakPolarHBondContact OD1-CB 3.43Å; N723-H727 PolarHBondContact OD1-N 2.63Å; N723-H727 VanDerWaalsContact OD1-N 3.09Å; G724-H727 PolarHBondContact O-CD2 3.08Å; N725-H727 PolarHBondContact O-N 2.77Å; H727-I731 WeakPolarHBondContact O-CG1 3.47Å; H727-I731 PolarHBondContact O-N 2.86Å
728	V	96.6	Very high	93.2	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-72.9	-41.9	179.8	70.9	0	0	0	0	111.2	T662 N725 R726 C732 T806 L809 L810 F813	T662-V728 HydrophobicContact CG2-CG2 4.37Å; T662-V728 VanDerWaalsContact OG1-CA 3.31Å; T662-V728 WeakPolarHBondContact OG1-CA 3.17Å; T662-V728 WeakPolarHBondContact OG1-CB 3.18Å; T662-V728 PolarHBondContact OG1-N 3.38Å; N725-V728 VanDerWaalsContact O-CG1 3.22Å; N725-V728 WeakPolarHBondContact O-CG1 3.41Å; N725-V728 PolarHBondContact O-N 3.27Å; R726-V728 PolarHBondContact O-N 2.98Å; R726-V728 VanDerWaalsContact O-N 3.15Å; V728-C732 WeakPolarHBondContact O-CB 3.49Å; V728-C732 PolarHBondContact O-N 2.88Å; V728-C732 PolarHBondContact O-SG 3.42Å; V728-T806 HydrophobicContact CG2-CG2 3.63Å; V728-L809 HydrophobicContact CB-CB 4.27Å; V728-L809 HydrophobicContact CG1-CB 3.79Å; V728-L809 HydrophobicContact CG2-CB 4.39Å; V728-L810 HydrophobicContact CG1-CD1 4.49Å; V728-L810 HydrophobicContact CG2-CB 4.07Å; V728-L810 HydrophobicContact CG2-CD1 4.21Å; V728-F813 HydrophobicContact CG1-CD2 4.1Å; V728-F813 HydrophobicContact CG1-CE2 3.69Å
729	E	95.4	Very high	93.2	Very high	22 Å²	22	36.4 Å²	36.4	10%	0.103	18%	0.176	C	C	.	.	H	α-helix	trans	-58.3	-51.3	175	178.1	-159.9	178.8	0	0	110.6	R726 I731 C732 R733 F813 F816	R726-E729 WeakPolarHBondContact O-CB 3.48Å; R726-E729 PolarHBondContact O-N 2.97Å; R726-E729 VanDerWaalsContact O-N 3.13Å; E729-I731 PolarHBondContact O-N 2.87Å; E729-C732 PolarHBondContact O-N 2.8Å; E729-R733 WeakPolarHBondContact O-CG 3.36Å; E729-R733 PolarHBondContact O-N 2.93Å; E729-R733 IonicContact OE1-CZ 3.12Å; E729-R733 IonicContact OE1-NH1 3.26Å; E729-R733 PolarHBondContact OE1-NH1 3.12Å; E729-R733 IonicContact OE1-NH2 3.87Å; E729-R733 PolarHBondContact OE1-NH2 2.96Å; E729-F813 HydrophobicContact CB-CD1 3.95Å; E729-F813 HydrophobicContact CB-CD2 4.19Å; E729-F813 HydrophobicContact CB-CE1 3.75Å; E729-F813 HydrophobicContact CB-CE2 4.01Å; E729-F813 HydrophobicContact CB-CG 4.16Å; E729-F813 HydrophobicContact CB-CZ 3.79Å; E729-F813 HydrophobicContact CG-CD1 3.94Å; E729-F813 HydrophobicContact CG-CE1 4Å; E729-F813 HydrophobicContact CG-CG 4.42Å; E729-F813 WeakPolarHBondContact OE2-CE1 3.44Å; E729-F816 HydrophobicContact CB-CE2 4.46Å; E729-F816 HydrophobicContact CG-CE2 4.05Å; E729-F816 HydrophobicContact CG-CZ 4.33Å
730	Q	95.6	Very high	93.3	Very high	31 Å²	31	41.8 Å²	41.8	15%	0.145	20%	0.201	C	C	.	.	H	α-helix	trans	-60.9	-44.7	-176.1	-64.8	-63.9	-44.6	0	0	112.1	D702 V703 R726 L734	D702-Q730 HydrophobicContact CB-CG 4.1Å; V703-Q730 HydrophobicContact CG2-CB 4.21Å; R726-Q730 VanDerWaalsContact O-CG 3.27Å; R726-Q730 WeakPolarHBondContact O-CG 3.34Å; R726-Q730 PolarHBondContact O-N 3.33Å; Q730-L734 WeakPolarHBondContact O-CB 3.36Å; Q730-L734 PolarHBondContact O-N 2.92Å
731	I	96.5	Very high	93.6	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-68.8	-39.5	177.6	-70.9	-71.4	0	0	0	111.8	T662 V703 C715 H727 E729 L734 A735 V761	T662-I731 HydrophobicContact CG2-CB 3.73Å; T662-I731 HydrophobicContact CG2-CG1 4.04Å; T662-I731 HydrophobicContact CG2-CG2 3.67Å; T662-I731 WeakPolarHBondContact O-CG1 3.34Å; V703-I731 HydrophobicContact CG1-CD1 3.84Å; V703-I731 HydrophobicContact CG2-CD1 3.94Å; C715-I731 HydrophobicContact CB-CD1 4.34Å; H727-I731 WeakPolarHBondContact O-CG1 3.47Å; H727-I731 PolarHBondContact O-N 2.86Å; E729-I731 PolarHBondContact O-N 2.87Å; I731-L734 PolarHBondContact O-N 3.03Å; I731-A735 VanDerWaalsContact O-CB 3.31Å; I731-A735 WeakPolarHBondContact O-CB 3.47Å; I731-A735 PolarHBondContact O-N 3.28Å; I731-V761 HydrophobicContact CG2-CG1 3.73Å; I731-V761 HydrophobicContact CG2-CG2 4.24Å
732	C	95.8	Very high	93.8	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-68.5	-38	180	-64.5	0	0	0	0	111.6	V728 E729 A735 I736 L810 F816 I837	V728-C732 WeakPolarHBondContact O-CB 3.49Å; V728-C732 PolarHBondContact O-N 2.88Å; V728-C732 PolarHBondContact O-SG 3.42Å; E729-C732 PolarHBondContact O-N 2.8Å; C732-A735 PolarHBondContact O-N 3.14Å; C732-I736 WeakPolarHBondContact O-CG1 3.46Å; C732-I736 PolarHBondContact O-N 3.32Å; C732-I736 VanDerWaalsContact O-N 3.08Å; C732-L810 HydrophobicContact CB-CD1 4.03Å; C732-L810 HydrophobicContact CB-CD2 4.33Å; C732-F816 HydrophobicContact CB-CD1 4.08Å; C732-F816 HydrophobicContact CB-CE1 3.47Å; C732-F816 VanDerWaalsContact CB-CE1 3.47Å; C732-F816 HydrophobicContact CB-CZ 3.87Å; C732-I837 HydrophobicContact CB-CD1 4.32Å; C732-I837 WeakPolarHBondContact SG-CD1 3.31Å
733	R	94.9	Very high	93.7	Very high	69 Å²	69	31.4 Å²	31.4	26%	0.26	16%	0.164	S	C	.	.	H	α-helix	trans	-62.4	-45.7	171.8	-67.9	-154.9	177.3	125.8	9	111.9	F701 E729 A735 I736 A737 E815 F816 M840	F701-R733 HydrophobicContact CD1-CB 4.08Å; F701-R733 HydrophobicContact CE1-CB 3.61Å; F701-R733 HydrophobicContact CZ-CB 4.2Å; E729-R733 WeakPolarHBondContact O-CG 3.36Å; E729-R733 PolarHBondContact O-N 2.93Å; E729-R733 IonicContact OE1-CZ 3.12Å; E729-R733 IonicContact OE1-NH1 3.26Å; E729-R733 PolarHBondContact OE1-NH1 3.12Å; E729-R733 IonicContact OE1-NH2 3.87Å; E729-R733 PolarHBondContact OE1-NH2 2.96Å; R733-A735 VanDerWaalsContact C-N 3.34Å; R733-A735 PolarHBondContact O-N 2.7Å; R733-I736 PolarHBondContact O-N 3.26Å; R733-A737 WeakPolarHBondContact O-CB 3.29Å; R733-A737 PolarHBondContact O-N 3.22Å; R733-E815 IonicContact NH2-OE1 2.7Å; R733-E815 PolarHBondContact NH2-OE1 3.36Å; R733-F816 HydrophobicContact CG-CE1 4.2Å; R733-F816 HydrophobicContact CG-CZ 3.64Å; R733-M840 HydrophobicContact CG-CE 4.39Å; R733-M840 HydrophobicContact CG-SD 3.81Å
734	L	94.8	Very high	93.5	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-58.4	-47.5	174.9	176.4	67.7	0	0	0	110.8	N697 I698 F701 V703 C715 Q730 I731 I736 A737 L738	N697-L734 HydrophobicContact CB-CD1 4.31Å; I698-L734 HydrophobicContact CG1-CD1 4.01Å; I698-L734 HydrophobicContact CG1-CD2 4.12Å; F701-L734 HydrophobicContact CD2-CB 4.05Å; F701-L734 HydrophobicContact CD2-CD1 3.82Å; F701-L734 HydrophobicContact CE2-CB 4.41Å; F701-L734 HydrophobicContact CE2-CD1 4.13Å; F701-L734 HydrophobicContact CG-CB 4.46Å; V703-L734 HydrophobicContact CB-CD2 4.27Å; V703-L734 HydrophobicContact CG1-CD2 3.77Å; V703-L734 HydrophobicContact CG2-CD2 4.1Å; C715-L734 HydrophobicContact CB-CD2 4.11Å; Q730-L734 WeakPolarHBondContact O-CB 3.36Å; Q730-L734 PolarHBondContact O-N 2.92Å; I731-L734 PolarHBondContact O-N 3.03Å; L734-I736 VanDerWaalsContact C-N 3.33Å; L734-I736 PolarHBondContact O-N 3.07Å; L734-A737 PolarHBondContact O-N 3.48Å; L734-L738 HydrophobicContact CD1-CD1 3.93Å; L734-L738 HydrophobicContact CD1-CD2 4.09Å; L734-L738 HydrophobicContact CD1-CG 3.79Å; L734-L738 HydrophobicContact CD2-CD1 4.34Å; L734-L738 HydrophobicContact CG-CD1 3.86Å; L734-L738 HydrophobicContact CG-CG 4.05Å; L734-L738 WeakPolarHBondContact O-CB 3.16Å; L734-L738 VanDerWaalsContact O-CG 3.3Å; L734-L738 WeakPolarHBondContact O-CG 3.34Å; L734-L738 PolarHBondContact O-N 3.15Å
735	A	95.1	Very high	93.3	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-58.8	-43.7	-177.9	0	0	0	0	0	112.3	Y664 I731 C732 R733 V739 V759 V761 I800	Y664-A735 HydrophobicContact CD2-CB 3.79Å; Y664-A735 HydrophobicContact CE2-CB 3.71Å; I731-A735 VanDerWaalsContact O-CB 3.31Å; I731-A735 WeakPolarHBondContact O-CB 3.47Å; I731-A735 PolarHBondContact O-N 3.28Å; C732-A735 PolarHBondContact O-N 3.14Å; R733-A735 VanDerWaalsContact C-N 3.34Å; R733-A735 PolarHBondContact O-N 2.7Å; A735-V739 WeakPolarHBondContact O-CG2 3.37Å; A735-V739 PolarHBondContact O-N 3.45Å; A735-V759 HydrophobicContact CB-CG1 4.25Å; A735-V761 HydrophobicContact CB-CG2 4.48Å; A735-I800 HydrophobicContact CB-CD1 3.79Å; A735-I800 HydrophobicContact CB-CG1 4.25Å; A735-I800 HydrophobicContact CB-CG2 4.02Å
736	I	94.1	Very high	93	Very high	12 Å²	12	37.5 Å²	37.5	6%	0.062	19%	0.187	C	C	.	.	H	α-helix	trans	-61.9	-51	175.5	-66.7	165.3	0	0	0	110.1	C732 R733 L734 L738 V739 E740 I800 F816 I837 M840	C732-I736 WeakPolarHBondContact O-CG1 3.46Å; C732-I736 PolarHBondContact O-N 3.32Å; C732-I736 VanDerWaalsContact O-N 3.08Å; R733-I736 PolarHBondContact O-N 3.26Å; L734-I736 VanDerWaalsContact C-N 3.33Å; L734-I736 PolarHBondContact O-N 3.07Å; I736-L738 VanDerWaalsContact C-N 3.32Å; I736-L738 PolarHBondContact O-N 3.29Å; I736-V739 PolarHBondContact O-N 3.15Å; I736-E740 WeakPolarHBondContact O-CG 3.23Å; I736-E740 PolarHBondContact O-N 3.41Å; I736-I800 HydrophobicContact CB-CD1 4.41Å; I736-I800 HydrophobicContact CG1-CD1 3.76Å; I736-F816 HydrophobicContact CD1-CD1 4.08Å; I736-F816 HydrophobicContact CD1-CE1 3.93Å; I736-I837 HydrophobicContact CD1-CG2 4.15Å; I736-I837 HydrophobicContact CG1-CG2 4.35Å; I736-M840 HydrophobicContact CD1-CG 3.89Å
737	A	93.2	Very high	92.6	Very high	20 Å²	20	30.5 Å²	30.5	17%	0.165	16%	0.16	C	C	.	.	H	α-helix	trans	-60.1	-39.3	-179.5	0	0	0	0	0	112.8	F701 R733 L734 G741	F701-A737 HydrophobicContact CE2-CB 4.33Å; F701-A737 HydrophobicContact CZ-CB 4.38Å; R733-A737 WeakPolarHBondContact O-CB 3.29Å; R733-A737 PolarHBondContact O-N 3.22Å; L734-A737 PolarHBondContact O-N 3.48Å; A737-G741 PolarHBondContact O-N 3.06Å
738	L	93.1	Very high	91.9	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-68.5	-43.3	177.7	-68	-174.1	0	0	0	111.8	Y664 F694 N697 L734 I736 G741 V742	Y664-L738 HydrophobicContact CE1-CD1 3.97Å; Y664-L738 HydrophobicContact CE2-CD1 4.23Å; F694-L738 HydrophobicContact CB-CD2 4.09Å; F694-L738 HydrophobicContact CD1-CD2 3.59Å; F694-L738 HydrophobicContact CD1-CG 4.47Å; F694-L738 HydrophobicContact CE1-CB 4.39Å; F694-L738 HydrophobicContact CE1-CD2 4.15Å; F694-L738 HydrophobicContact CG-CD1 4.43Å; F694-L738 HydrophobicContact CG-CD2 3.96Å; N697-L738 HydrophobicContact CB-CD2 3.75Å; L734-L738 HydrophobicContact CD1-CD1 3.93Å; L734-L738 HydrophobicContact CD1-CD2 4.09Å; L734-L738 HydrophobicContact CD1-CG 3.79Å; L734-L738 HydrophobicContact CD2-CD1 4.34Å; L734-L738 HydrophobicContact CG-CD1 3.86Å; L734-L738 HydrophobicContact CG-CG 4.05Å; L734-L738 WeakPolarHBondContact O-CB 3.16Å; L734-L738 VanDerWaalsContact O-CG 3.3Å; L734-L738 WeakPolarHBondContact O-CG 3.34Å; L734-L738 PolarHBondContact O-N 3.15Å; I736-L738 VanDerWaalsContact C-N 3.32Å; I736-L738 PolarHBondContact O-N 3.29Å; L738-G741 PolarHBondContact O-N 3.35Å; L738-V742 VanDerWaalsContact O-CG2 3.29Å; L738-V742 WeakPolarHBondContact O-CG2 3.39Å; L738-V742 PolarHBondContact O-N 3.36Å
739	V	93	Very high	91.3	Very high	13 Å²	13	36.2 Å²	36.2	8%	0.079	19%	0.194	C	C	.	.	H	α-helix	trans	-63.5	-42	176.8	171.3	0	0	0	0	111.2	A735 I736 V742 N743 V757 V759 N798 I800	A735-V739 WeakPolarHBondContact O-CG2 3.37Å; A735-V739 PolarHBondContact O-N 3.45Å; I736-V739 PolarHBondContact O-N 3.15Å; V739-V742 PolarHBondContact O-N 2.87Å; V739-N743 PolarHBondContact O-N 2.86Å; V739-N743 VanDerWaalsContact O-N 3.15Å; V739-N743 PolarHBondContact O-ND2 3.29Å; V739-N743 VanDerWaalsContact O-ND2 3.15Å; V739-V757 HydrophobicContact CG2-CG2 4.34Å; V739-V759 HydrophobicContact CG2-CG2 3.7Å; V739-N798 HydrophobicContact CG1-CB 4.15Å; V739-I800 HydrophobicContact CG2-CD1 4.19Å; V739-I800 HydrophobicContact CG2-CG1 3.85Å
740	E	91.5	Very high	90.8	Very high	122 Å²	122	39 Å²	39	57%	0.57	20%	0.203	S	C	*	.	H	α-helix	trans	-62	-44.7	173.4	-72.1	178.5	171	0	0	111.9	I736 V742 N743 T744	I736-E740 WeakPolarHBondContact O-CG 3.23Å; I736-E740 PolarHBondContact O-N 3.41Å; E740-V742 PolarHBondContact O-N 3.08Å; E740-N743 WeakPolarHBondContact O-CB 3.42Å; E740-N743 PolarHBondContact O-N 3.08Å; E740-T744 PolarHBondContact O-N 3.21Å
741	G	90.2	Very high	90.2	Very high	13 Å²	13	41.5 Å²	41.5	13%	0.134	22%	0.223	C	C	.	.	H	α-helix	trans	-58.4	-47.3	175.8	0	0	0	0	0	112.4	A737 L738 N743 T744 F745	A737-G741 PolarHBondContact O-N 3.06Å; L738-G741 PolarHBondContact O-N 3.35Å; G741-N743 VanDerWaalsContact C-N 3.29Å; G741-N743 PolarHBondContact O-N 2.91Å; G741-T744 CarbonylContact O-C 3.52Å; G741-T744 PolarHBondContact O-N 2.98Å; G741-T744 PolarHBondContact O-OG1 2.9Å; G741-F745 PolarHBondContact O-N 3.28Å; G741-F745 VanDerWaalsContact O-N 3.08Å
742	V	91.1	Very high	89.6	Confident	1 Å²	1	49.2 Å²	49.2	1%	0.006	26%	0.264	C	S	.	.	H	α-helix	trans	-59.7	-38.6	177.1	171.5	0	0	0	0	111.8	L690 M693 F694 L738 V739 E740 T744 F745 L755 V757	L690-V742 HydrophobicContact CD1-CG2 4.26Å; M693-V742 HydrophobicContact CE-CG2 3.97Å; F694-V742 HydrophobicContact CE1-CG2 3.6Å; F694-V742 HydrophobicContact CZ-CG2 3.85Å; L738-V742 VanDerWaalsContact O-CG2 3.29Å; L738-V742 WeakPolarHBondContact O-CG2 3.39Å; L738-V742 PolarHBondContact O-N 3.36Å; V739-V742 PolarHBondContact O-N 2.87Å; E740-V742 PolarHBondContact O-N 3.08Å; V742-T744 PolarHBondContact O-N 3.4Å; V742-F745 WeakPolarHBondContact O-CB 3.41Å; V742-F745 PolarHBondContact O-N 2.88Å; V742-F745 VanDerWaalsContact O-N 3.08Å; V742-L755 HydrophobicContact CG1-CB 4.16Å; V742-L755 HydrophobicContact CG1-CD2 4.33Å; V742-L755 HydrophobicContact CG1-CG 4.35Å; V742-L755 WeakPolarHBondContact CG1-O 3.37Å; V742-V757 HydrophobicContact CB-CG2 4.2Å; V742-V757 HydrophobicContact CG1-CG1 4.13Å; V742-V757 HydrophobicContact CG1-CG2 4.14Å; V742-V757 HydrophobicContact CG2-CG1 3.92Å; V742-V757 HydrophobicContact CG2-CG2 3.91Å
743	N	87.7	Confident	89	Confident	78 Å²	78	52.7 Å²	52.7	42%	0.417	28%	0.277	S	S	.	.	H	α-helix	trans	-62.7	-25.5	178	-73.6	-38.4	0	0	0	113.2	V739 E740 G741 N798	V739-N743 PolarHBondContact O-N 2.86Å; V739-N743 VanDerWaalsContact O-N 3.15Å; V739-N743 PolarHBondContact O-ND2 3.29Å; V739-N743 VanDerWaalsContact O-ND2 3.15Å; E740-N743 WeakPolarHBondContact O-CB 3.42Å; E740-N743 PolarHBondContact O-N 3.08Å; G741-N743 VanDerWaalsContact C-N 3.29Å; G741-N743 PolarHBondContact O-N 2.91Å; N743-N798 PolarHBondContact OD1-ND2 3.37Å
744	T	88.4	Confident	88.6	Confident	113 Å²	113	57.3 Å²	57.3	69%	0.693	30%	0.299	S	S	*	.	H	α-helix	trans	-97.2	-5.8	176.6	64.3	0	0	0	0	113.7	E740 G741 V742	E740-T744 PolarHBondContact O-N 3.21Å; G741-T744 CarbonylContact O-C 3.52Å; G741-T744 PolarHBondContact O-N 2.98Å; G741-T744 PolarHBondContact O-OG1 2.9Å; V742-T744 PolarHBondContact O-N 3.4Å
745	F	88.8	Confident	88.3	Confident	30 Å²	30	57.7 Å²	57.7	13%	0.132	30%	0.301	C	S	.	.			trans	-77	130.9	-175.8	-176.2	-91.3	0	0	0	111.7	L686 A689 L690 M693 G741 V742 I747 L755	L686-F745 HydrophobicContact CD1-CE1 3.64Å; L686-F745 HydrophobicContact CD1-CZ 4.15Å; A689-F745 HydrophobicContact CB-CE2 4Å; A689-F745 HydrophobicContact CB-CZ 3.76Å; L690-F745 HydrophobicContact CB-CE2 4.48Å; L690-F745 HydrophobicContact CB-CZ 4.17Å; M693-F745 HydrophobicContact CE-CD2 4.44Å; G741-F745 PolarHBondContact O-N 3.28Å; G741-F745 VanDerWaalsContact O-N 3.08Å; V742-F745 WeakPolarHBondContact O-CB 3.41Å; V742-F745 PolarHBondContact O-N 2.88Å; V742-F745 VanDerWaalsContact O-N 3.08Å; F745-I747 HydrophobicContact CE1-CG1 4.4Å; F745-L755 HydrophobicContact CD1-CB 4.35Å; F745-L755 HydrophobicContact CD1-CD2 4.11Å; F745-L755 HydrophobicContact CE1-CD2 4.39Å
746	I	86.9	Confident	88.1	Confident	113 Å²	113	61.7 Å²	61.7	58%	0.579	32%	0.319	S	S	*	.	B	Isolated β-bridge	trans	-104.9	125.4	178.7	-57.8	176.9	0	0	0	108.6	P748 P751	I746-P748 WeakPolarHBondContact O-CD 3.35Å; I746-P751 HydrophobicContact CG2-CB 3.74Å
747	I	86.1	Confident	88	Confident	1 Å²	1	61.1 Å²	61.1	1%	0.005	32%	0.317	C	S	.	.			trans	-70.4	119.7	176.4	-61.8	177.3	0	0	0	108.6	L674 L686 F745 H749 R750 R753 L755	L674-I747 HydrophobicContact CD2-CD1 4.36Å; L686-I747 HydrophobicContact CD1-CB 4.37Å; L686-I747 HydrophobicContact CD1-CG1 3.98Å; L686-I747 HydrophobicContact CD1-CG2 4.06Å; L686-I747 HydrophobicContact CD2-CG2 4.44Å; F745-I747 HydrophobicContact CE1-CG1 4.4Å; I747-H749 VanDerWaalsContact C-N 3.32Å; I747-H749 WeakPolarHBondContact CG2-CE1 3.39Å; I747-H749 WeakPolarHBondContact CG2-ND1 3.3Å; I747-H749 PolarHBondContact O-N 3.33Å; I747-R750 HydrophobicContact CB-CB 4.38Å; I747-R750 HydrophobicContact CG2-CB 3.95Å; I747-R750 CarbonylContact O-C 3.18Å; I747-R750 PolarHBondContact O-N 3.27Å; I747-R753 HydrophobicContact CD1-CB 4.28Å; I747-R753 HydrophobicContact CD1-CG 4.26Å; I747-R753 WeakPolarHBondContact CD1-O 3.34Å; I747-L755 HydrophobicContact CD1-CB 4.39Å; I747-L755 HydrophobicContact CD1-CD1 4.14Å; I747-L755 HydrophobicContact CG1-CB 4.43Å
748	P	81.9	Confident	88	Confident	82 Å²	82	62.7 Å²	62.7	53%	0.532	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-40.7	-170.6	-29	35.3	0	0	0	114.8	A689 I746	A689-P748 HydrophobicContact CB-CG 4.4Å; I746-P748 WeakPolarHBondContact O-CD 3.35Å
749	H	83.5	Confident	88.2	Confident	41 Å²	41	62.7 Å²	62.7	19%	0.19	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-6.5	-179.2	62.2	-68.8	0	0	0	113.7	S678 E682 I747	S678-H749 PolarHBondContact OG-NE2 3.36Å; E682-H749 HydrophobicContact CB-CB 4.25Å; E682-H749 HydrophobicContact CG-CB 3.85Å; E682-H749 IonicContact OE2-CD2 3.78Å; I747-H749 VanDerWaalsContact C-N 3.32Å; I747-H749 WeakPolarHBondContact CG2-CE1 3.39Å; I747-H749 WeakPolarHBondContact CG2-ND1 3.3Å; I747-H749 PolarHBondContact O-N 3.33Å
750	R	84.2	Confident	88.3	Confident	79 Å²	79	62.1 Å²	62.1	30%	0.298	32%	0.315	S	S	.	.			trans	-148	70	-177.6	-70.4	-169	173.3	178.1	-4.8	112	E677 I747 D752 R753	E677-R750 VanDerWaalsContact CB-NH1 3.34Å; E677-R750 PolarHBondContact O-NH2 2.87Å; E677-R750 IonicContact OE2-CZ 3.84Å; E677-R750 IonicContact OE2-NH1 2.75Å; E677-R750 PolarHBondContact OE2-NH1 3.36Å; I747-R750 HydrophobicContact CB-CB 4.38Å; I747-R750 HydrophobicContact CG2-CB 3.95Å; I747-R750 CarbonylContact O-C 3.18Å; I747-R750 PolarHBondContact O-N 3.27Å; R750-D752 PolarHBondContact O-N 3.2Å; R750-D752 VanDerWaalsContact O-N 3.08Å; R750-R753 HydrophobicContact CB-CB 4.37Å; R750-R753 PolarHBondContact O-N 2.79Å; R750-R753 VanDerWaalsContact O-N 3.1Å
751	P	83.6	Confident	88.6	Confident	85 Å²	85	56.3 Å²	56.3	55%	0.552	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-23.9	-174.8	23.6	-34	0	0	0	114.1	I746 R753	I746-P751 HydrophobicContact CG2-CB 3.74Å; P751-R753 VanDerWaalsContact C-N 3.33Å; P751-R753 PolarHBondContact O-N 2.93Å
752	D	84.2	Confident	88.9	Confident	162 Å²	162	56.2 Å²	56.2	87%	0.866	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-15.1	-178.7	-52	-42.1	0	0	0	113.7	R750	R750-D752 PolarHBondContact O-N 3.2Å; R750-D752 VanDerWaalsContact O-N 3.08Å
753	R	83.7	Confident	89.2	Confident	72 Å²	72	56.4 Å²	56.4	27%	0.272	29%	0.285	S	S	.	.	S	Bend	trans	-99	117.8	-179.5	-174.4	171	176.7	171.5	-5.9	109.7	E677 I747 R750 P751	E677-R753 IonicContact OE2-NH1 3.8Å; E677-R753 PolarHBondContact OE2-NH1 3.39Å; I747-R753 HydrophobicContact CD1-CB 4.28Å; I747-R753 HydrophobicContact CD1-CG 4.26Å; I747-R753 WeakPolarHBondContact CD1-O 3.34Å; R750-R753 HydrophobicContact CB-CB 4.37Å; R750-R753 PolarHBondContact O-N 2.79Å; R750-R753 VanDerWaalsContact O-N 3.1Å; P751-R753 VanDerWaalsContact C-N 3.33Å; P751-R753 PolarHBondContact O-N 2.93Å
754	K	85.3	Confident	89.6	Confident	167 Å²	167	53.1 Å²	53.1	73%	0.726	27%	0.269	S	S	*	.	B	Isolated β-bridge	trans	-75.8	133.1	172.6	-66.3	-167.5	176.7	-169.3	0	110.7
755	L	88.3	Confident	89.9	Confident	7 Å²	7	50.4 Å²	50.4	4%	0.037	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-75	143.8	171	-163.6	73.6	0	0	0	109.4	I668 L674 L690 V742 F745 I747	I668-L755 HydrophobicContact CG2-CD1 3.62Å; I668-L755 HydrophobicContact CG2-CG 4.38Å; L674-L755 HydrophobicContact CD2-CD1 4.21Å; L690-L755 HydrophobicContact CD1-CD2 3.47Å; L690-L755 VanDerWaalsContact CD1-CD2 3.47Å; L690-L755 HydrophobicContact CD2-CD2 3.71Å; L690-L755 HydrophobicContact CG-CD2 4.16Å; V742-L755 HydrophobicContact CG1-CB 4.16Å; V742-L755 HydrophobicContact CG1-CD2 4.33Å; V742-L755 HydrophobicContact CG1-CG 4.35Å; V742-L755 WeakPolarHBondContact CG1-O 3.37Å; F745-L755 HydrophobicContact CD1-CB 4.35Å; F745-L755 HydrophobicContact CD1-CD2 4.11Å; F745-L755 HydrophobicContact CE1-CD2 4.39Å; I747-L755 HydrophobicContact CD1-CB 4.39Å; I747-L755 HydrophobicContact CD1-CD1 4.14Å; I747-L755 HydrophobicContact CG1-CB 4.43Å
756	Q	90.9	Very high	90.2	Very high	84 Å²	84	49 Å²	49	39%	0.393	25%	0.248	S	C	.	.			trans	-131.5	144.3	172.9	-58.2	-175.6	-69.2	0	0	109.3	V669 P797 N798	V669-Q756 HydrophobicContact CB-CB 4.09Å; V669-Q756 HydrophobicContact CG2-CB 4.02Å; V669-Q756 PolarHBondContact N-O 3.43Å; Q756-P797 HydrophobicContact CB-CB 4.22Å; Q756-N798 VanDerWaalsContact CA-OD1 3.23Å; Q756-N798 WeakPolarHBondContact CA-OD1 3.13Å
757	V	92.2	Very high	90.5	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.006	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	143.5	178.1	-68.4	0	0	0	0	110.6	D667 F694 V739 V742 V759 N798	D667-V757 CarbonylContact O-C 3.53Å; D667-V757 VanDerWaalsContact O-CA 3.26Å; D667-V757 WeakPolarHBondContact O-CA 3.46Å; F694-V757 HydrophobicContact CZ-CG1 4.44Å; V739-V757 HydrophobicContact CG2-CG2 4.34Å; V742-V757 HydrophobicContact CB-CG2 4.2Å; V742-V757 HydrophobicContact CG1-CG1 4.13Å; V742-V757 HydrophobicContact CG1-CG2 4.14Å; V742-V757 HydrophobicContact CG2-CG1 3.92Å; V742-V757 HydrophobicContact CG2-CG2 3.91Å; V757-V759 HydrophobicContact CG2-CG2 4.17Å; V757-N798 PolarHBondContact N-OD1 3.04Å; V757-N798 WeakPolarHBondContact O-CA 3.45Å; V757-N798 PolarHBondContact O-N 2.91Å; V757-N798 PolarHBondContact O-OD1 3.46Å
758	R	94.4	Very high	90.7	Very high	53 Å²	53	47.3 Å²	47.3	20%	0.2	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	139.9	162.4	-79.3	-177.7	-60.2	-93	-2.7	108.3	S666 D667 V669 E792 S795	S666-R758 WeakPolarHBondContact CA-O 3.24Å; S666-R758 VanDerWaalsContact CB-O 3.26Å; S666-R758 WeakPolarHBondContact CB-O 3.39Å; D667-R758 PolarHBondContact N-O 3.24Å; D667-R758 VanDerWaalsContact N-O 3.11Å; D667-R758 PolarHBondContact O-N 3.21Å; D667-R758 IonicContact OD2-CZ 2.93Å; D667-R758 IonicContact OD2-NH2 2.72Å; D667-R758 PolarHBondContact OD2-NH2 2.7Å; V669-R758 HydrophobicContact CG2-CG 3.99Å; R758-E792 HydrophobicContact CB-CG 4.12Å; R758-E792 VanDerWaalsContact CB-OE1 3.26Å; R758-E792 WeakPolarHBondContact CB-OE1 3.45Å; R758-E792 IonicContact CZ-OE1 3.74Å; R758-E792 IonicContact NE-OE1 3.98Å; R758-E792 PolarHBondContact NE-OE1 2.57Å; R758-E792 IonicContact NH2-OE1 2.63Å; R758-S795 VanDerWaalsContact CD-O 3.24Å; R758-S795 WeakPolarHBondContact CD-O 3.44Å
759	V	95.7	Very high	91	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	132.1	178.4	178.8	0	0	0	0	110.3	Y664 F665 A735 V739 V757 V761 S795 K799 I800 Q801	Y664-V759 HydrophobicContact CD2-CG1 3.75Å; Y664-V759 HydrophobicContact CE2-CB 4.3Å; Y664-V759 HydrophobicContact CE2-CG1 3.26Å; Y664-V759 HydrophobicContact CE2-CG2 4.07Å; F665-V759 WeakPolarHBondContact O-CA 3.38Å; A735-V759 HydrophobicContact CB-CG1 4.25Å; V739-V759 HydrophobicContact CG2-CG2 3.7Å; V757-V759 HydrophobicContact CG2-CG2 4.17Å; V759-V761 HydrophobicContact CG1-CG2 4.22Å; V759-S795 WeakPolarHBondContact O-CB 3.23Å; V759-S795 PolarHBondContact O-OG 2.92Å; V759-K799 PolarHBondContact N-O 2.88Å; V759-I800 HydrophobicContact CB-CB 4.46Å; V759-I800 HydrophobicContact CB-CG1 4.16Å; V759-I800 HydrophobicContact CG1-CB 4.33Å; V759-I800 HydrophobicContact CG1-CG1 4.15Å; V759-I800 HydrophobicContact CG1-CG2 3.88Å; V759-Q801 PolarHBondContact O-N 3.44Å
760	G	95.6	Very high	91	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	136.6	173.5	0	0	0	0	0	112	F665 E792 Q801	F665-G760 PolarHBondContact N-O 2.86Å; F665-G760 PolarHBondContact O-N 2.76Å; G760-E792 VanDerWaalsContact CA-N 3.34Å; G760-Q801 CarbonylContact C-O 3.5Å; G760-Q801 WeakPolarHBondContact CA-O 3.41Å
761	V	97.3	Very high	90.9	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	124.4	179.6	-174.4	0	0	0	0	110.3	T662 I663 Y664 I731 A735 V759 I800 Q801 A802 S803 T806	T662-V761 HydrophobicContact CG2-CG1 3.32Å; I663-V761 WeakPolarHBondContact O-CA 3.4Å; Y664-V761 HydrophobicContact CD2-CG2 4.44Å; I731-V761 HydrophobicContact CG2-CG1 3.73Å; I731-V761 HydrophobicContact CG2-CG2 4.24Å; A735-V761 HydrophobicContact CB-CG2 4.48Å; V759-V761 HydrophobicContact CG1-CG2 4.22Å; V761-I800 HydrophobicContact CG2-CG2 3.86Å; V761-Q801 PolarHBondContact N-O 2.93Å; V761-A802 VanDerWaalsContact O-CA 3.32Å; V761-A802 WeakPolarHBondContact O-CA 3.5Å; V761-S803 PolarHBondContact O-N 3.4Å; V761-T806 HydrophobicContact CB-CG2 4.42Å; V761-T806 HydrophobicContact CG1-CG2 3.72Å; V761-T806 PolarHBondContact O-OG1 2.91Å
762	H	96.7	Very high	90.5	Very high	12 Å²	12	41 Å²	41	6%	0.056	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	143.3	176	179.7	57.7	0	0	0	111.2	T662 I663 T784 T787 A788 M791 S803 D805 T806	T662-H762 WeakPolarHBondContact CA-O 3.47Å; I663-H762 PolarHBondContact N-O 3.42Å; I663-H762 PolarHBondContact O-N 3.29Å; I663-H762 VanDerWaalsContact O-N 3.14Å; H762-T784 PolarHBondContact CD2-O 3.08Å; H762-T787 HydrophobicContact CB-CG2 4.28Å; H762-T787 WeakPolarHBondContact CD2-CB 3.32Å; H762-A788 HydrophobicContact CB-CB 3.91Å; H762-M791 HydrophobicContact CB-CG 4.42Å; H762-S803 WeakPolarHBondContact ND1-CB 3.25Å; H762-S803 PolarHBondContact ND1-OG 3.16Å; H762-D805 IonicContact CE1-OD2 2.91Å; H762-D805 PolarHBondContact CE1-OD2 2.86Å; H762-T806 VanDerWaalsContact C-OG1 3.25Å; H762-T806 WeakPolarHBondContact CA-OG1 3.24Å
763	S	97.3	Very high	89.9	Confident	4 Å²	4	40.3 Å²	40.3	3%	0.028	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	131.3	179.6	-52.5	0	0	0	0	109.8	V661 T662 D805 T806	V661-S763 CarbonylContact O-C 3.58Å; V661-S763 WeakPolarHBondContact O-CA 3.39Å; T662-S763 PolarHBondContact OG1-OG 2.88Å; S763-D805 WeakPolarHBondContact O-CB 3.47Å; S763-T806 PolarHBondContact N-OG1 2.91Å; S763-T806 WeakPolarHBondContact OG-CA 3.26Å; S763-T806 PolarHBondContact OG-OG1 2.63Å
764	G	95.5	Very high	89.2	Confident	9 Å²	9	46.7 Å²	46.7	9%	0.093	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	177.2	179.8	-176.7	0	0	0	0	0	112.8	V661	V661-G764 WeakPolarHBondContact CG2-O 3.47Å; V661-G764 PolarHBondContact N-O 3.45Å; V661-G764 PolarHBondContact O-N 2.79Å
765	P	95.6	Very high	88.7	Confident	56 Å²	56	45.3 Å²	45.3	36%	0.364	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	147.3	-178.4	29.2	-34.1	0	0	0	112.8	Y657 Y658 Q659 T784	Y657-P765 HydrophobicContact CE2-CB 3.97Å; Y657-P765 VanDerWaalsContact OH-CB 3.23Å; Y657-P765 WeakPolarHBondContact OH-CB 3.38Å; Y658-P765 CarbonylContact O-C 3.5Å; Y658-P765 VanDerWaalsContact O-CA 3.24Å; Y658-P765 WeakPolarHBondContact O-CA 3.5Å; Q659-P765 WeakPolarHBondContact O-CA 3.38Å; Q659-P765 WeakPolarHBondContact O-CB 3.43Å; P765-T784 WeakPolarHBondContact O-CB 3.24Å; P765-T784 PolarHBondContact O-OG1 2.78Å
766	V	94.8	Very high	88.1	Confident	2 Å²	2	47 Å²	47	1%	0.012	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	154.2	173.3	-63.4	0	0	0	0	111.9	Y658 V661 I663 L719 L780 T784	Y658-V766 PolarHBondContact N-O 3.18Å; Y658-V766 PolarHBondContact O-N 3.09Å; V661-V766 HydrophobicContact CB-CG2 4.39Å; V661-V766 HydrophobicContact CG1-CG2 3.99Å; V661-V766 HydrophobicContact CG2-CB 4.22Å; V661-V766 HydrophobicContact CG2-CG1 3.72Å; V661-V766 HydrophobicContact CG2-CG2 3.48Å; V661-V766 VanDerWaalsContact CG2-CG2 3.48Å; I663-V766 HydrophobicContact CD1-CG1 4.07Å; L719-V766 HydrophobicContact CD2-CG2 3.58Å; V766-L780 HydrophobicContact CG2-CD2 4.32Å; V766-T784 HydrophobicContact CG1-CG2 4.18Å
767	M	92.8	Very high	87.6	Confident	75 Å²	75	48.6 Å²	48.6	37%	0.369	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	125.5	161.5	-75.4	-66.8	-64	0	0	108.5	P655 E656 Y657 F781	P655-M767 HydrophobicContact CB-CE 3.74Å; E656-M767 WeakPolarHBondContact O-CA 3.39Å; Y657-M767 VanDerWaalsContact CA-SD 3.53Å; Y657-M767 VanDerWaalsContact CB-SD 3.51Å; Y657-M767 HydrophobicContact CD2-CG 4.19Å; Y657-M767 HydrophobicContact CD2-SD 3.66Å; Y657-M767 HydrophobicContact CG-SD 4.08Å; M767-F781 HydrophobicContact CB-CB 4.3Å; M767-F781 PolarHBondContact N-O 2.86Å; M767-F781 PolarHBondContact O-N 3.33Å
768	A	91.1	Very high	87.2	Confident	2 Å²	2	49.2 Å²	49.2	2%	0.017	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	142	175.3	0	0	0	0	0	110.9	P655 E656 Y658 L719 F778 C779	P655-A768 CarbonylContact C-O 3.32Å; P655-A768 WeakPolarHBondContact CA-O 3.38Å; E656-A768 PolarHBondContact N-O 3.13Å; E656-A768 PolarHBondContact O-N 2.88Å; Y658-A768 HydrophobicContact CD2-CB 4.06Å; Y658-A768 HydrophobicContact CE2-CB 3.84Å; L719-A768 HydrophobicContact CD2-CB 4.08Å; A768-F778 HydrophobicContact CB-CE1 4.16Å; A768-F778 HydrophobicContact CB-CE2 4.26Å; A768-F778 HydrophobicContact CB-CZ 3.68Å; A768-C779 WeakPolarHBondContact CA-O 3.43Å
769	G	87.3	Confident	86.8	Confident	3 Å²	3	48.4 Å²	48.4	3%	0.031	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-169.2	165.6	-179.5	0	0	0	0	0	113.2	C779	G769-C779 PolarHBondContact N-O 3.1Å; G769-C779 PolarHBondContact O-N 3.06Å
770	V	84.8	Confident	86.5	Confident	34 Å²	34	49.3 Å²	49.3	21%	0.206	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	126.7	176.8	175.7	0	0	0	0	110.7	V643 I653 P776 R777 F778	V643-V770 HydrophobicContact CG1-CG2 3.41Å; V643-V770 VanDerWaalsContact CG1-CG2 3.41Å; I653-V770 HydrophobicContact CD1-CB 4.29Å; I653-V770 HydrophobicContact CD1-CG2 3.76Å; I653-V770 HydrophobicContact CG2-CG2 4.24Å; V770-P776 HydrophobicContact CG1-CB 3.37Å; V770-R777 CarbonylContact C-O 3.46Å; V770-R777 VanDerWaalsContact CA-O 3.3Å; V770-R777 WeakPolarHBondContact CA-O 3.26Å; V770-F778 HydrophobicContact CG2-CD2 3.95Å
771	V	82.2	Confident	86.1	Confident	72 Å²	72	54.7 Å²	54.7	44%	0.436	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	135.7	179.4	-174.9	0	0	0	0	109.9	P776 R777 C779 F781	V771-P776 WeakPolarHBondContact O-CA 3.12Å; V771-R777 PolarHBondContact N-O 2.95Å; V771-R777 PolarHBondContact O-N 2.94Å; V771-C779 HydrophobicContact CG2-CB 4.01Å; V771-F781 HydrophobicContact CG2-CE2 3.83Å; V771-F781 HydrophobicContact CG2-CZ 3.81Å
772	G	75.3	Confident	85.7	Confident	45 Å²	45	56.4 Å²	56.4	46%	0.464	31%	0.312	S	S	.	.			trans	93.4	136.9	178.6	0	0	0	0	0	113.5	P776	G772-P776 WeakPolarHBondContact O-CA 3.27Å
773	V	71.3	Confident	85.4	Confident	149 Å²	149	60.1 Å²	60.1	90%	0.903	33%	0.332	S	S	*	.	S	Bend	trans	-90.4	-41.3	179.9	-177.9	0	0	0	0	111.6
774	K	69.1	Low	85.2	Confident	206 Å²	206	60.2 Å²	60.2	90%	0.896	33%	0.332	S	S	*	.	S	Bend	trans	-82	-32.7	-178.9	-72.3	-173	177.7	-177.3	0	113.5
775	M	74.7	Confident	85.1	Confident	137 Å²	137	60.9 Å²	60.9	68%	0.675	34%	0.335	S	S	*	.	S	Bend	trans	-135.7	82.8	176.7	-75.5	-168	-75.3	0	0	108	R777	M775-R777 PolarHBondContact O-N 2.83Å
776	P	75	Confident	84.8	Confident	43 Å²	43	62.9 Å²	62.9	28%	0.279	34%	0.342	S	S	.	.			trans	-65.7	127.1	-178.7	25.1	-31.9	0	0	0	110.5	L639 V770 V771 G772	L639-P776 HydrophobicContact CD1-CB 4.42Å; L639-P776 HydrophobicContact CD1-CG 4.19Å; V770-P776 HydrophobicContact CG1-CB 3.37Å; V771-P776 WeakPolarHBondContact O-CA 3.12Å; G772-P776 WeakPolarHBondContact O-CA 3.27Å
777	R	79.9	Confident	84.7	Confident	117 Å²	117	63 Å²	63	44%	0.442	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	136.4	175.8	-64.1	178.3	-174.7	-138	5	110.3	E707 V770 V771 M775 C779	E707-R777 WeakPolarHBondContact OE2-CD 3.41Å; E707-R777 WeakPolarHBondContact OE2-CG 3.23Å; E707-R777 IonicContact OE2-CZ 3.82Å; E707-R777 IonicContact OE2-NE 3.88Å; E707-R777 PolarHBondContact OE2-NE 2.76Å; E707-R777 IonicContact OE2-NH1 3.9Å; E707-R777 PolarHBondContact OE2-NH1 3.15Å; V770-R777 CarbonylContact C-O 3.46Å; V770-R777 VanDerWaalsContact CA-O 3.3Å; V770-R777 WeakPolarHBondContact CA-O 3.26Å; V771-R777 PolarHBondContact N-O 2.95Å; V771-R777 PolarHBondContact O-N 2.94Å; M775-R777 PolarHBondContact O-N 2.83Å; R777-C779 PolarHBondContact O-N 2.95Å
778	F	85	Confident	84.7	Confident	15 Å²	15	59.4 Å²	59.4	7%	0.066	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	102.6	176.1	-168.5	-110.1	0	0	0	109.8	L639 P640 V643 Y704 L719 P720 A768 V770	L639-F778 HydrophobicContact CD2-CB 4.33Å; P640-F778 HydrophobicContact CG-CB 4.32Å; P640-F778 HydrophobicContact CG-CD1 3.82Å; P640-F778 HydrophobicContact CG-CD2 4.44Å; P640-F778 HydrophobicContact CG-CE1 4.16Å; P640-F778 HydrophobicContact CG-CG 3.95Å; V643-F778 HydrophobicContact CG2-CD2 4.12Å; V643-F778 HydrophobicContact CG2-CE2 4.02Å; Y704-F778 HydrophobicContact CD1-CD1 4.25Å; Y704-F778 HydrophobicContact CE1-CB 4.49Å; Y704-F778 AromaticContact CE1-CD1 3.62Å; Y704-F778 HydrophobicContact CE1-CD1 3.62Å; Y704-F778 HydrophobicContact CE1-CE1 4.38Å; L719-F778 HydrophobicContact CD1-CE1 3.85Å; P720-F778 HydrophobicContact CB-CZ 4.23Å; A768-F778 HydrophobicContact CB-CE1 4.16Å; A768-F778 HydrophobicContact CB-CE2 4.26Å; A768-F778 HydrophobicContact CB-CZ 3.68Å; V770-F778 HydrophobicContact CG2-CD2 3.95Å
779	C	85.5	Confident	84.7	Confident	36 Å²	36	61 Å²	61	24%	0.243	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	148.9	-171.5	-67.1	0	0	0	0	111.7	A768 G769 V771 R777 F781	A768-C779 WeakPolarHBondContact CA-O 3.43Å; G769-C779 PolarHBondContact N-O 3.1Å; G769-C779 PolarHBondContact O-N 3.06Å; V771-C779 HydrophobicContact CG2-CB 4.01Å; R777-C779 PolarHBondContact O-N 2.95Å; C779-F781 HydrophobicContact CB-CD2 4.47Å; C779-F781 HydrophobicContact CB-CE2 3.6Å; C779-F781 HydrophobicContact CB-CZ 3.79Å
780	L	89.6	Confident	85	Confident	18 Å²	18	65.2 Å²	65.2	9%	0.094	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	136.9	172.5	-67.2	81.5	0	0	0	110.2	I663 V706 M714 V716 L719 V766 V785	I663-L780 HydrophobicContact CD1-CD2 4.35Å; V706-L780 HydrophobicContact CB-CD1 4.24Å; V706-L780 HydrophobicContact CG1-CD1 3.74Å; V706-L780 HydrophobicContact CG2-CD1 3.4Å; M714-L780 HydrophobicContact CE-CB 4.33Å; M714-L780 HydrophobicContact CE-CD1 4.4Å; M714-L780 HydrophobicContact CE-CD2 4.12Å; V716-L780 HydrophobicContact CB-CD2 4.08Å; V716-L780 HydrophobicContact CG1-CD1 4.42Å; V716-L780 HydrophobicContact CG1-CD2 4.01Å; V716-L780 HydrophobicContact CG2-CD2 3.86Å; L719-L780 HydrophobicContact CD1-CD2 4.47Å; L719-L780 HydrophobicContact CD2-CD2 3.73Å; L719-L780 HydrophobicContact CD2-CG 4.2Å; V766-L780 HydrophobicContact CG2-CD2 4.32Å; L780-V785 HydrophobicContact CB-CG2 4.03Å
781	F	88	Confident	85.4	Confident	113 Å²	113	63.6 Å²	63.6	50%	0.496	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	139.2	178.1	-61.2	-81.6	0	0	0	109.9	M767 V771 C779	M767-F781 HydrophobicContact CB-CB 4.3Å; M767-F781 PolarHBondContact N-O 2.86Å; M767-F781 PolarHBondContact O-N 3.33Å; V771-F781 HydrophobicContact CG2-CE2 3.83Å; V771-F781 HydrophobicContact CG2-CZ 3.81Å; C779-F781 HydrophobicContact CB-CD2 4.47Å; C779-F781 HydrophobicContact CB-CE2 3.6Å; C779-F781 HydrophobicContact CB-CZ 3.79Å
782	G	88.8	Confident	85.9	Confident	37 Å²	37	60.8 Å²	60.8	38%	0.381	32%	0.324	S	S	.	.	S	Bend	trans	142.7	163.7	176	0	0	0	0	0	112	T784 V785	G782-T784 PolarHBondContact O-N 3.27Å; G782-V785 PolarHBondContact O-N 2.75Å
783	D	90.3	Very high	86.6	Confident	90 Å²	90	61.3 Å²	61.3	48%	0.481	32%	0.321	S	S	.	.	H	α-helix	trans	-62.7	-29	-179.1	-168.8	51.4	0	0	0	112.9	V785 N786 T787 K829	D783-V785 PolarHBondContact O-N 3.11Å; D783-N786 WeakPolarHBondContact O-CB 3.39Å; D783-N786 PolarHBondContact O-N 3.38Å; D783-T787 PolarHBondContact O-N 2.89Å; D783-T787 PolarHBondContact O-OG1 2.85Å; D783-K829 IonicContact OD1-NZ 2.78Å; D783-K829 PolarHBondContact OD1-NZ 2.97Å; D783-K829 IonicContact OD2-NZ 3.51Å; D783-K829 PolarHBondContact OD2-NZ 3.34Å
784	T	93.5	Very high	87.6	Confident	5 Å²	5	55.4 Å²	55.4	3%	0.031	29%	0.285	C	S	.	.	H	α-helix	trans	-54.7	-38.1	175.6	-52.1	0	0	0	0	112.5	I663 H762 P765 V766 G782 T787 A788	I663-T784 HydrophobicContact CD1-CG2 3.83Å; I663-T784 HydrophobicContact CG1-CG2 4.34Å; H762-T784 PolarHBondContact CD2-O 3.08Å; P765-T784 WeakPolarHBondContact O-CB 3.24Å; P765-T784 PolarHBondContact O-OG1 2.78Å; V766-T784 HydrophobicContact CG1-CG2 4.18Å; G782-T784 PolarHBondContact O-N 3.27Å; T784-T787 PolarHBondContact O-N 3.32Å; T784-A788 WeakPolarHBondContact O-CB 3.3Å; T784-A788 PolarHBondContact O-N 2.94Å
785	V	91.5	Very high	88.7	Confident	23 Å²	23	46 Å²	46	14%	0.139	25%	0.245	C	C	.	.	H	α-helix	trans	-65	-44.6	177.4	-176.3	0	0	0	0	110.5	I663 F665 M714 L780 G782 D783 A788 S789	I663-V785 HydrophobicContact CD1-CB 4.33Å; I663-V785 HydrophobicContact CD1-CG2 3.76Å; F665-V785 HydrophobicContact CE2-CG1 4.14Å; M714-V785 HydrophobicContact CE-CG1 3.89Å; M714-V785 HydrophobicContact CE-CG2 4.15Å; M714-V785 HydrophobicContact SD-CG1 4.4Å; L780-V785 HydrophobicContact CB-CG2 4.03Å; G782-V785 PolarHBondContact O-N 2.75Å; D783-V785 PolarHBondContact O-N 3.11Å; V785-A788 PolarHBondContact O-N 3.38Å; V785-S789 PolarHBondContact O-N 3.5Å
786	N	90.2	Very high	89.6	Confident	98 Å²	98	43.7 Å²	43.7	52%	0.524	24%	0.235	S	C	.	.	H	α-helix	trans	-65.6	-43.6	179	-66.6	-39.5	0	0	0	111	D783 S789 R790	D783-N786 WeakPolarHBondContact O-CB 3.39Å; D783-N786 PolarHBondContact O-N 3.38Å; N786-S789 PolarHBondContact O-N 2.86Å; N786-R790 VanDerWaalsContact O-CG 3.32Å; N786-R790 WeakPolarHBondContact O-CG 3.33Å; N786-R790 PolarHBondContact O-N 2.59Å
787	T	93	Very high	90.4	Very high	4 Å²	4	44.2 Å²	44.2	3%	0.025	24%	0.238	C	C	.	.	H	α-helix	trans	-64.6	-39.2	177.6	-55.7	0	0	0	0	111.5	H762 D783 T784 R790 M791 K829 M832	H762-T787 HydrophobicContact CB-CG2 4.28Å; H762-T787 WeakPolarHBondContact CD2-CB 3.32Å; D783-T787 PolarHBondContact O-N 2.89Å; D783-T787 PolarHBondContact O-OG1 2.85Å; T784-T787 PolarHBondContact O-N 3.32Å; T787-R790 WeakPolarHBondContact O-CB 3.32Å; T787-R790 PolarHBondContact O-N 2.92Å; T787-R790 VanDerWaalsContact O-N 3.16Å; T787-M791 WeakPolarHBondContact O-CG 3.42Å; T787-M791 PolarHBondContact O-N 3.01Å; T787-K829 WeakPolarHBondContact OG1-CE 3.18Å; T787-M832 HydrophobicContact CG2-CE 3.99Å
788	A	93.4	Very high	91	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-60.5	-47.5	174.3	0	0	0	0	0	112.1	I663 F665 H762 T784 V785 R790 M791 E792	I663-A788 HydrophobicContact CB-CB 3.84Å; I663-A788 HydrophobicContact CG2-CB 3.66Å; F665-A788 HydrophobicContact CD2-CB 4.18Å; H762-A788 HydrophobicContact CB-CB 3.91Å; T784-A788 WeakPolarHBondContact O-CB 3.3Å; T784-A788 PolarHBondContact O-N 2.94Å; V785-A788 PolarHBondContact O-N 3.38Å; A788-R790 PolarHBondContact O-N 2.97Å; A788-M791 WeakPolarHBondContact O-CB 3.37Å; A788-M791 PolarHBondContact O-N 3.47Å; A788-M791 VanDerWaalsContact O-N 3.13Å; A788-E792 PolarHBondContact O-N 3.48Å; A788-E792 VanDerWaalsContact O-N 3.1Å
789	S	91.3	Very high	91.5	Very high	37 Å²	37	44 Å²	44	26%	0.259	24%	0.242	S	C	.	.	H	α-helix	trans	-60.5	-34.3	174.2	171.1	0	0	0	0	112.1	V785 N786 E792 S793	V785-S789 PolarHBondContact O-N 3.5Å; N786-S789 PolarHBondContact O-N 2.86Å; S789-E792 PolarHBondContact O-N 3.4Å; S789-S793 PolarHBondContact O-N 3.07Å; S789-S793 PolarHBondContact O-OG 3.4Å
790	R	91.6	Very high	92	Very high	90 Å²	90	42.7 Å²	42.7	34%	0.34	23%	0.232	S	C	.	.	H	α-helix	trans	-68.2	-39	173.7	-69.2	-59	178.5	-134.3	-12.4	113.3	N786 T787 A788 E792 S793 T794 V826 K827	N786-R790 VanDerWaalsContact O-CG 3.32Å; N786-R790 WeakPolarHBondContact O-CG 3.33Å; N786-R790 PolarHBondContact O-N 2.59Å; T787-R790 WeakPolarHBondContact O-CB 3.32Å; T787-R790 PolarHBondContact O-N 2.92Å; T787-R790 VanDerWaalsContact O-N 3.16Å; A788-R790 PolarHBondContact O-N 2.97Å; R790-E792 PolarHBondContact O-N 3.34Å; R790-S793 WeakPolarHBondContact CA-OG 3.36Å; R790-S793 PolarHBondContact O-N 2.98Å; R790-S793 PolarHBondContact O-OG 3.07Å; R790-S793 VanDerWaalsContact O-OG 3.08Å; R790-T794 PolarHBondContact O-N 3.31Å; R790-T794 VanDerWaalsContact O-N 3.14Å; R790-T794 PolarHBondContact O-OG1 3.08Å; R790-V826 HydrophobicContact CB-CG1 3.48Å; R790-V826 VanDerWaalsContact CB-CG1 3.48Å; R790-V826 HydrophobicContact CG-CG1 3.72Å; R790-K827 PolarHBondContact NE-O 3.16Å
791	M	94.4	Very high	92.3	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-60.8	-35.4	173.6	-66.1	-58.5	95.3	0	0	111.1	H762 T787 A788 S795 Q801 V826 M832 T834	H762-M791 HydrophobicContact CB-CG 4.42Å; T787-M791 WeakPolarHBondContact O-CG 3.42Å; T787-M791 PolarHBondContact O-N 3.01Å; A788-M791 WeakPolarHBondContact O-CB 3.37Å; A788-M791 PolarHBondContact O-N 3.47Å; A788-M791 VanDerWaalsContact O-N 3.13Å; M791-S795 WeakPolarHBondContact O-CB 3.42Å; M791-S795 PolarHBondContact O-N 3.23Å; M791-Q801 HydrophobicContact CB-CG 4.4Å; M791-Q801 VanDerWaalsContact O-CD 3.23Å; M791-Q801 PolarHBondContact O-OE1 3.4Å; M791-Q801 HydrophobicContact SD-CG 4.17Å; M791-Q801 PolarHBondContact SD-NE2 2.76Å; M791-Q801 VanDerWaalsContact SD-NE2 3.44Å; M791-V826 HydrophobicContact CE-CG1 4.46Å; M791-V826 HydrophobicContact CE-CG2 3.84Å; M791-M832 HydrophobicContact CE-SD 4.31Å; M791-T834 HydrophobicContact CE-CG2 4.13Å; M791-T834 HydrophobicContact SD-CG2 3.82Å
792	E	93.1	Very high	92.8	Very high	13 Å²	13	36.4 Å²	36.4	6%	0.061	20%	0.204	C	C	.	.	H	α-helix	trans	-68.8	-55	175	174.2	-74.6	121.4	0	0	110.6	F665 D667 R758 G760 A788 S789 R790 T794 S795	F665-E792 HydrophobicContact CB-CB 3.97Å; D667-E792 VanDerWaalsContact CB-CD 3.43Å; D667-E792 HydrophobicContact CB-CG 4.09Å; D667-E792 VanDerWaalsContact CB-OE1 3.25Å; D667-E792 WeakPolarHBondContact CB-OE1 3.32Å; R758-E792 HydrophobicContact CB-CG 4.12Å; R758-E792 VanDerWaalsContact CB-OE1 3.26Å; R758-E792 WeakPolarHBondContact CB-OE1 3.45Å; R758-E792 IonicContact CZ-OE1 3.74Å; R758-E792 IonicContact NE-OE1 3.98Å; R758-E792 PolarHBondContact NE-OE1 2.57Å; R758-E792 IonicContact NH2-OE1 2.63Å; G760-E792 VanDerWaalsContact CA-N 3.34Å; A788-E792 PolarHBondContact O-N 3.48Å; A788-E792 VanDerWaalsContact O-N 3.1Å; S789-E792 PolarHBondContact O-N 3.4Å; R790-E792 PolarHBondContact O-N 3.34Å; E792-T794 PolarHBondContact O-N 3.19Å; E792-S795 WeakPolarHBondContact O-CA 3.35Å; E792-S795 WeakPolarHBondContact O-CB 3.43Å; E792-S795 PolarHBondContact O-N 3.03Å
793	S	90.2	Very high	93.1	Very high	57 Å²	57	34.7 Å²	34.7	40%	0.399	19%	0.186	S	C	.	.	H	α-helix	trans	-62.1	-23	-173.6	64.3	0	0	0	0	114.5	S789 R790	S789-S793 PolarHBondContact O-N 3.07Å; S789-S793 PolarHBondContact O-OG 3.4Å; R790-S793 WeakPolarHBondContact CA-OG 3.36Å; R790-S793 PolarHBondContact O-N 2.98Å; R790-S793 PolarHBondContact O-OG 3.07Å; R790-S793 VanDerWaalsContact O-OG 3.08Å
794	T	91.3	Very high	93.3	Very high	25 Å²	25	34.4 Å²	34.4	15%	0.153	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	1.1	176.9	56.1	0	0	0	0	113.2	R790 E792 Q801 R821 F824	R790-T794 PolarHBondContact O-N 3.31Å; R790-T794 VanDerWaalsContact O-N 3.14Å; R790-T794 PolarHBondContact O-OG1 3.08Å; E792-T794 PolarHBondContact O-N 3.19Å; T794-Q801 PolarHBondContact O-OE1 3.08Å; T794-Q801 PolarHBondContact OG1-NE2 3.14Å; T794-Q801 PolarHBondContact OG1-OE1 2.64Å; T794-R821 PolarHBondContact O-NH1 2.85Å; T794-R821 PolarHBondContact O-NH2 3.24Å; T794-F824 HydrophobicContact CG2-CD1 4.01Å; T794-F824 HydrophobicContact CG2-CE1 3.85Å
795	S	92.8	Very high	93.4	Very high	8 Å²	8	38.4 Å²	38.4	6%	0.056	20%	0.203	C	C	.	.	S	Bend	trans	-76.5	159.5	178.6	-169.2	0	0	0	0	112.1	R758 V759 M791 E792 K799 Q801	R758-S795 VanDerWaalsContact CD-O 3.24Å; R758-S795 WeakPolarHBondContact CD-O 3.44Å; V759-S795 WeakPolarHBondContact O-CB 3.23Å; V759-S795 PolarHBondContact O-OG 2.92Å; M791-S795 WeakPolarHBondContact O-CB 3.42Å; M791-S795 PolarHBondContact O-N 3.23Å; E792-S795 WeakPolarHBondContact O-CA 3.35Å; E792-S795 WeakPolarHBondContact O-CB 3.43Å; E792-S795 PolarHBondContact O-N 3.03Å; S795-K799 PolarHBondContact OG-O 3.23Å; S795-Q801 VanDerWaalsContact N-OE1 3.08Å
796	L	92.9	Very high	93.6	Very high	88 Å²	88	37.3 Å²	37.3	46%	0.461	20%	0.196	S	C	.	.	P	Polyproline II helix	trans	-89.9	152.3	173	-66.6	177	0	0	0	110.1	N798 K799 W836	L796-N798 PolarHBondContact O-N 2.96Å; L796-K799 HydrophobicContact CB-CB 4.12Å; L796-K799 HydrophobicContact CB-CG 4.05Å; L796-K799 PolarHBondContact O-N 2.91Å; L796-K799 VanDerWaalsContact O-N 3.08Å; L796-W836 HydrophobicContact CB-CH2 3.96Å; L796-W836 HydrophobicContact CD1-CH2 4.04Å; L796-W836 HydrophobicContact CD1-CZ2 3.76Å; L796-W836 HydrophobicContact CG-CH2 3.78Å; L796-W836 HydrophobicContact CG-CZ2 4Å
797	P	92.7	Very high	93.9	Very high	54 Å²	54	32.6 Å²	32.6	35%	0.351	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.9	130.9	174.9	-27.4	35.6	0	0	0	112.3	V669 Q756 K799	V669-P797 HydrophobicContact CG1-CG 4.35Å; V669-P797 HydrophobicContact CG2-CB 4.08Å; V669-P797 HydrophobicContact CG2-CG 4.13Å; Q756-P797 HydrophobicContact CB-CB 4.22Å; P797-K799 PolarHBondContact O-N 2.94Å
798	N	92.6	Very high	94	Very high	32 Å²	32	35 Å²	35	17%	0.171	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.1	29.1	-177.9	-60.5	-12.3	0	0	0	114.3	V739 N743 Q756 V757 L796	V739-N798 HydrophobicContact CG1-CB 4.15Å; N743-N798 PolarHBondContact OD1-ND2 3.37Å; Q756-N798 VanDerWaalsContact CA-OD1 3.23Å; Q756-N798 WeakPolarHBondContact CA-OD1 3.13Å; V757-N798 PolarHBondContact N-OD1 3.04Å; V757-N798 WeakPolarHBondContact O-CA 3.45Å; V757-N798 PolarHBondContact O-N 2.91Å; V757-N798 PolarHBondContact O-OD1 3.46Å; L796-N798 PolarHBondContact O-N 2.96Å
799	K	94.1	Very high	94.1	Very high	97 Å²	97	36.6 Å²	36.6	42%	0.422	20%	0.197	S	C	.	.			trans	-120.2	147.4	172.4	-66.9	-70.8	-172.2	172.6	0	110.7	V759 S795 L796 P797 W836	V759-K799 PolarHBondContact N-O 2.88Å; S795-K799 PolarHBondContact OG-O 3.23Å; L796-K799 HydrophobicContact CB-CB 4.12Å; L796-K799 HydrophobicContact CB-CG 4.05Å; L796-K799 PolarHBondContact O-N 2.91Å; L796-K799 VanDerWaalsContact O-N 3.08Å; P797-K799 PolarHBondContact O-N 2.94Å; K799-W836 HydrophobicContact CB-CE3 3.76Å; K799-W836 HydrophobicContact CB-CH2 4.17Å; K799-W836 HydrophobicContact CB-CZ3 3.49Å; K799-W836 VanDerWaalsContact CB-CZ3 3.49Å; K799-W836 HydrophobicContact CG-CZ3 4.43Å
800	I	96.5	Very high	94.2	Very high	7 Å²	7	34.9 Å²	34.9	4%	0.036	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	107.2	-179.5	-55.4	165.5	0	0	0	108	A735 I736 V739 V759 V761 W836 I837	A735-I800 HydrophobicContact CB-CD1 3.79Å; A735-I800 HydrophobicContact CB-CG1 4.25Å; A735-I800 HydrophobicContact CB-CG2 4.02Å; I736-I800 HydrophobicContact CB-CD1 4.41Å; I736-I800 HydrophobicContact CG1-CD1 3.76Å; V739-I800 HydrophobicContact CG2-CD1 4.19Å; V739-I800 HydrophobicContact CG2-CG1 3.85Å; V759-I800 HydrophobicContact CB-CB 4.46Å; V759-I800 HydrophobicContact CB-CG1 4.16Å; V759-I800 HydrophobicContact CG1-CB 4.33Å; V759-I800 HydrophobicContact CG1-CG1 4.15Å; V759-I800 HydrophobicContact CG1-CG2 3.88Å; V761-I800 HydrophobicContact CG2-CG2 3.86Å; I800-W836 WeakPolarHBondContact O-CA 3.46Å; I800-I837 HydrophobicContact CB-CB 4.06Å; I800-I837 HydrophobicContact CG2-CB 3.9Å; I800-I837 HydrophobicContact CG2-CD1 3.8Å; I800-I837 HydrophobicContact CG2-CG1 4.27Å; I800-I837 PolarHBondContact O-N 2.72Å
801	Q	96.9	Very high	94.3	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	130.8	177.5	-177.9	176	-34.1	0	0	110.8	V759 G760 V761 M791 T794 S795 F835 W836	V759-Q801 PolarHBondContact O-N 3.44Å; G760-Q801 CarbonylContact C-O 3.5Å; G760-Q801 WeakPolarHBondContact CA-O 3.41Å; V761-Q801 PolarHBondContact N-O 2.93Å; M791-Q801 HydrophobicContact CB-CG 4.4Å; M791-Q801 VanDerWaalsContact O-CD 3.23Å; M791-Q801 PolarHBondContact O-OE1 3.4Å; M791-Q801 HydrophobicContact SD-CG 4.17Å; M791-Q801 PolarHBondContact SD-NE2 2.76Å; M791-Q801 VanDerWaalsContact SD-NE2 3.44Å; T794-Q801 PolarHBondContact O-OE1 3.08Å; T794-Q801 PolarHBondContact OG1-NE2 3.14Å; T794-Q801 PolarHBondContact OG1-OE1 2.64Å; S795-Q801 VanDerWaalsContact N-OE1 3.08Å; Q801-F835 CarbonylContact C-O 3.57Å; Q801-F835 WeakPolarHBondContact CA-O 3.48Å; Q801-W836 HydrophobicContact CB-CE3 4.21Å; Q801-W836 HydrophobicContact CB-CZ3 3.74Å; Q801-W836 HydrophobicContact CG-CZ3 4.42Å
802	A	96.8	Very high	94.3	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	144.7	176.2	0	0	0	0	0	111.8	V761 T806 T834 F835 I837	V761-A802 VanDerWaalsContact O-CA 3.32Å; V761-A802 WeakPolarHBondContact O-CA 3.5Å; A802-T806 HydrophobicContact CB-CG2 3.93Å; A802-T834 WeakPolarHBondContact O-CA 3.36Å; A802-F835 PolarHBondContact N-O 3.29Å; A802-F835 PolarHBondContact O-N 3.37Å; A802-I837 HydrophobicContact CB-CD1 3.8Å; A802-I837 HydrophobicContact CB-CG1 4.04Å
803	S	95.5	Very high	94.3	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	162.7	167.1	61.2	0	0	0	0	112	V761 H762 D805 T806 A807	V761-S803 PolarHBondContact O-N 3.4Å; H762-S803 WeakPolarHBondContact ND1-CB 3.25Å; H762-S803 PolarHBondContact ND1-OG 3.16Å; S803-D805 VanDerWaalsContact C-N 3.28Å; S803-D805 PolarHBondContact O-N 3.03Å; S803-T806 PolarHBondContact O-N 3.37Å; S803-T806 PolarHBondContact OG-N 3.05Å; S803-T806 PolarHBondContact OG-OG1 2.92Å; S803-T806 VanDerWaalsContact OG-OG1 3.12Å; S803-A807 PolarHBondContact O-N 3.33Å
804	E	95.2	Very high	94.2	Very high	85 Å²	85	46.1 Å²	46.1	40%	0.397	24%	0.238	S	C	.	.	H	α-helix	trans	-54.9	-37.5	172.5	-173.5	165.2	-140.9	0	0	114.3	A807 S808 K833 F835	E804-A807 PolarHBondContact O-N 2.96Å; E804-S808 WeakPolarHBondContact O-CB 3.26Å; E804-S808 PolarHBondContact O-N 3.32Å; E804-S808 PolarHBondContact O-OG 3.28Å; E804-K833 HydrophobicContact CB-CB 4.44Å; E804-K833 PolarHBondContact N-O 3.33Å; E804-F835 HydrophobicContact CB-CE2 4.06Å; E804-F835 HydrophobicContact CG-CE2 4.18Å
805	D	95.4	Very high	94.3	Very high	88 Å²	88	47.4 Å²	47.4	47%	0.471	24%	0.242	S	C	.	.	H	α-helix	trans	-61.6	-50.9	177.2	-60	-63.9	0	0	0	111.9	H762 S763 S803 A807 S808 L809	H762-D805 IonicContact CE1-OD2 2.91Å; H762-D805 PolarHBondContact CE1-OD2 2.86Å; S763-D805 WeakPolarHBondContact O-CB 3.47Å; S803-D805 VanDerWaalsContact C-N 3.28Å; S803-D805 PolarHBondContact O-N 3.03Å; D805-A807 PolarHBondContact O-N 3.22Å; D805-S808 PolarHBondContact O-N 2.89Å; D805-L809 PolarHBondContact O-N 3.37Å; D805-L809 VanDerWaalsContact O-N 3.08Å
806	T	96.6	Very high	94.3	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-56.6	-47.9	173.2	-57.8	0	0	0	0	111.6	V728 V761 H762 S763 A802 S803 S808 L809 L810	V728-T806 HydrophobicContact CG2-CG2 3.63Å; V761-T806 HydrophobicContact CB-CG2 4.42Å; V761-T806 HydrophobicContact CG1-CG2 3.72Å; V761-T806 PolarHBondContact O-OG1 2.91Å; H762-T806 VanDerWaalsContact C-OG1 3.25Å; H762-T806 WeakPolarHBondContact CA-OG1 3.24Å; S763-T806 PolarHBondContact N-OG1 2.91Å; S763-T806 WeakPolarHBondContact OG-CA 3.26Å; S763-T806 PolarHBondContact OG-OG1 2.63Å; A802-T806 HydrophobicContact CB-CG2 3.93Å; S803-T806 PolarHBondContact O-N 3.37Å; S803-T806 PolarHBondContact OG-N 3.05Å; S803-T806 PolarHBondContact OG-OG1 2.92Å; S803-T806 VanDerWaalsContact OG-OG1 3.12Å; T806-S808 VanDerWaalsContact C-N 3.29Å; T806-S808 PolarHBondContact O-N 3.3Å; T806-L809 PolarHBondContact O-N 3.49Å; T806-L810 VanDerWaalsContact O-CB 3.25Å; T806-L810 WeakPolarHBondContact O-CB 3.47Å; T806-L810 PolarHBondContact O-N 3.1Å
807	A	94.9	Very high	94.4	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-62.2	-38.9	-179	0	0	0	0	0	111.7	S803 E804 D805 L810 R811 I818 F835	S803-A807 PolarHBondContact O-N 3.33Å; E804-A807 PolarHBondContact O-N 2.96Å; D805-A807 PolarHBondContact O-N 3.22Å; A807-L810 PolarHBondContact O-N 2.91Å; A807-R811 WeakPolarHBondContact O-CG 3.14Å; A807-R811 PolarHBondContact O-N 2.7Å; A807-I818 HydrophobicContact CB-CG2 4.44Å; A807-F835 HydrophobicContact CB-CB 4.07Å; A807-F835 HydrophobicContact CB-CD1 4.15Å; A807-F835 HydrophobicContact CB-CD2 3.39Å; A807-F835 HydrophobicContact CB-CE2 3.84Å; A807-F835 HydrophobicContact CB-CG 3.59Å; A807-F835 HydrophobicContact CB-CZ 4.39Å
808	S	95	Very high	94.4	Very high	54 Å²	54	45.1 Å²	45.1	38%	0.378	23%	0.226	S	C	.	.	H	α-helix	trans	-65.5	-39	178	-60.1	0	0	0	0	112.4	E804 D805 T806	E804-S808 WeakPolarHBondContact O-CB 3.26Å; E804-S808 PolarHBondContact O-N 3.32Å; E804-S808 PolarHBondContact O-OG 3.28Å; D805-S808 PolarHBondContact O-N 2.89Å; T806-S808 VanDerWaalsContact C-N 3.29Å; T806-S808 PolarHBondContact O-N 3.3Å
809	L	95.6	Very high	94.5	Very high	34 Å²	34	48.5 Å²	48.5	18%	0.178	24%	0.241	C	C	.	.	H	α-helix	trans	-71.1	-41.2	173.2	-66.6	177.4	0	0	0	112	V728 D805 T806 R811 Q812	V728-L809 HydrophobicContact CB-CB 4.27Å; V728-L809 HydrophobicContact CG1-CB 3.79Å; V728-L809 HydrophobicContact CG2-CB 4.39Å; D805-L809 PolarHBondContact O-N 3.37Å; D805-L809 VanDerWaalsContact O-N 3.08Å; T806-L809 PolarHBondContact O-N 3.49Å; L809-R811 VanDerWaalsContact C-N 3.27Å; L809-R811 PolarHBondContact O-N 2.98Å; L809-Q812 WeakPolarHBondContact O-CB 3.04Å; L809-Q812 WeakPolarHBondContact O-CG 3.2Å; L809-Q812 PolarHBondContact O-N 3.47Å; L809-Q812 VanDerWaalsContact O-N 3.16Å
810	L	95	Very high	94.5	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-67.1	-27.3	-176.6	-169.4	62.6	0	0	0	112.5	V728 C732 T806 A807 Q812 F813 F816 I818 I837	V728-L810 HydrophobicContact CG1-CD1 4.49Å; V728-L810 HydrophobicContact CG2-CB 4.07Å; V728-L810 HydrophobicContact CG2-CD1 4.21Å; C732-L810 HydrophobicContact CB-CD1 4.03Å; C732-L810 HydrophobicContact CB-CD2 4.33Å; T806-L810 VanDerWaalsContact O-CB 3.25Å; T806-L810 WeakPolarHBondContact O-CB 3.47Å; T806-L810 PolarHBondContact O-N 3.1Å; A807-L810 PolarHBondContact O-N 2.91Å; L810-Q812 PolarHBondContact O-N 3.19Å; L810-F813 HydrophobicContact CD1-CD2 4.43Å; L810-F813 WeakPolarHBondContact O-CB 2.97Å; L810-F813 PolarHBondContact O-N 2.88Å; L810-F816 HydrophobicContact CD1-CB 4.17Å; L810-F816 HydrophobicContact CD1-CD1 4.15Å; L810-F816 HydrophobicContact CD1-CD2 3.48Å; L810-F816 VanDerWaalsContact CD1-CD2 3.48Å; L810-F816 HydrophobicContact CD1-CE1 4.4Å; L810-F816 HydrophobicContact CD1-CE2 3.77Å; L810-F816 HydrophobicContact CD1-CG 3.67Å; L810-F816 HydrophobicContact CD1-CZ 4.2Å; L810-F816 HydrophobicContact CD2-CB 4.05Å; L810-F816 HydrophobicContact CD2-CD1 4.37Å; L810-F816 HydrophobicContact CD2-CG 4.17Å; L810-F816 HydrophobicContact CG-CB 3.97Å; L810-F816 HydrophobicContact CG-CD2 4.19Å; L810-F816 HydrophobicContact CG-CG 4.03Å; L810-I818 HydrophobicContact CB-CD1 3.81Å; L810-I818 HydrophobicContact CD2-CD1 3.63Å; L810-I818 HydrophobicContact CD2-CG1 3.88Å; L810-I818 HydrophobicContact CG-CD1 3.74Å; L810-I818 HydrophobicContact CG-CG1 4.41Å; L810-I837 HydrophobicContact CD2-CD1 3.97Å; L810-I837 HydrophobicContact CD2-CG1 3.95Å
811	R	93.6	Very high	94.2	Very high	148 Å²	148	52.3 Å²	52.3	56%	0.558	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-16.8	172.4	-78	174.7	-169.2	135.2	1.8	114.3	A807 L809 F813 I818	A807-R811 WeakPolarHBondContact O-CG 3.14Å; A807-R811 PolarHBondContact O-N 2.7Å; L809-R811 VanDerWaalsContact C-N 3.27Å; L809-R811 PolarHBondContact O-N 2.98Å; R811-F813 PolarHBondContact O-N 3.01Å; R811-I818 HydrophobicContact CG-CD1 4.42Å
812	Q	92.7	Very high	93.9	Very high	107 Å²	107	53.3 Å²	53.3	50%	0.5	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-15	172.9	-63.8	170.7	48.3	0	0	112.7	N725 L809 L810 P814	N725-Q812 PolarHBondContact ND2-NE2 3.28Å; N725-Q812 PolarHBondContact ND2-OE1 2.78Å; L809-Q812 WeakPolarHBondContact O-CB 3.04Å; L809-Q812 WeakPolarHBondContact O-CG 3.2Å; L809-Q812 PolarHBondContact O-N 3.47Å; L809-Q812 VanDerWaalsContact O-N 3.16Å; L810-Q812 PolarHBondContact O-N 3.19Å; Q812-P814 WeakPolarHBondContact O-CD 3.44Å
813	F	93.3	Very high	93.4	Very high	31 Å²	31	58.8 Å²	58.8	14%	0.136	29%	0.294	C	S	.	.			trans	-112.9	91.7	-178.9	-59.5	-84.3	0	0	0	108.9	R726 V728 E729 L810 R811 E815 F816	R726-F813 HydrophobicContact CG-CZ 4.32Å; V728-F813 HydrophobicContact CG1-CD2 4.1Å; V728-F813 HydrophobicContact CG1-CE2 3.69Å; E729-F813 HydrophobicContact CB-CD1 3.95Å; E729-F813 HydrophobicContact CB-CD2 4.19Å; E729-F813 HydrophobicContact CB-CE1 3.75Å; E729-F813 HydrophobicContact CB-CE2 4.01Å; E729-F813 HydrophobicContact CB-CG 4.16Å; E729-F813 HydrophobicContact CB-CZ 3.79Å; E729-F813 HydrophobicContact CG-CD1 3.94Å; E729-F813 HydrophobicContact CG-CE1 4Å; E729-F813 HydrophobicContact CG-CG 4.42Å; E729-F813 WeakPolarHBondContact OE2-CE1 3.44Å; L810-F813 HydrophobicContact CD1-CD2 4.43Å; L810-F813 WeakPolarHBondContact O-CB 2.97Å; L810-F813 PolarHBondContact O-N 2.88Å; R811-F813 PolarHBondContact O-N 3.01Å; F813-E815 WeakPolarHBondContact CA-OE2 3.36Å; F813-E815 PolarHBondContact O-N 2.93Å; F813-E815 VanDerWaalsContact O-N 3.12Å; F813-F816 HydrophobicContact CB-CD2 3.65Å; F813-F816 HydrophobicContact CB-CE2 3.93Å; F813-F816 PolarHBondContact O-N 3.35Å
814	P	88.9	Confident	92.9	Very high	111 Å²	111	62.7 Å²	62.7	72%	0.721	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-15.4	-171	27.7	-35.5	0	0	0	113.8	Q812 F816	Q812-P814 WeakPolarHBondContact O-CD 3.44Å; P814-F816 PolarHBondContact O-N 2.89Å
815	E	92.8	Very high	92.4	Very high	52 Å²	52	64.2 Å²	64.2	24%	0.243	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-17.1	175.8	65.7	-92.8	-145.3	0	0	113.6	R733 F813 M840 Q841	R733-E815 IonicContact NH2-OE1 2.7Å; R733-E815 PolarHBondContact NH2-OE1 3.36Å; F813-E815 WeakPolarHBondContact CA-OE2 3.36Å; F813-E815 PolarHBondContact O-N 2.93Å; F813-E815 VanDerWaalsContact O-N 3.12Å; E815-M840 CarbonylContact O-C 3.6Å; E815-M840 WeakPolarHBondContact O-CA 3.42Å; E815-Q841 PolarHBondContact O-N 3.47Å
816	F	94	Very high	91.9	Very high	16 Å²	16	60 Å²	60	7%	0.07	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	134.3	-179	-70.8	-87.9	0	0	0	113	E729 C732 R733 I736 L810 F813 P814 I818 I837 M840	E729-F816 HydrophobicContact CB-CE2 4.46Å; E729-F816 HydrophobicContact CG-CE2 4.05Å; E729-F816 HydrophobicContact CG-CZ 4.33Å; C732-F816 HydrophobicContact CB-CD1 4.08Å; C732-F816 HydrophobicContact CB-CE1 3.47Å; C732-F816 VanDerWaalsContact CB-CE1 3.47Å; C732-F816 HydrophobicContact CB-CZ 3.87Å; R733-F816 HydrophobicContact CG-CE1 4.2Å; R733-F816 HydrophobicContact CG-CZ 3.64Å; I736-F816 HydrophobicContact CD1-CD1 4.08Å; I736-F816 HydrophobicContact CD1-CE1 3.93Å; L810-F816 HydrophobicContact CD1-CB 4.17Å; L810-F816 HydrophobicContact CD1-CD1 4.15Å; L810-F816 HydrophobicContact CD1-CD2 3.48Å; L810-F816 VanDerWaalsContact CD1-CD2 3.48Å; L810-F816 HydrophobicContact CD1-CE1 4.4Å; L810-F816 HydrophobicContact CD1-CE2 3.77Å; L810-F816 HydrophobicContact CD1-CG 3.67Å; L810-F816 HydrophobicContact CD1-CZ 4.2Å; L810-F816 HydrophobicContact CD2-CB 4.05Å; L810-F816 HydrophobicContact CD2-CD1 4.37Å; L810-F816 HydrophobicContact CD2-CG 4.17Å; L810-F816 HydrophobicContact CG-CB 3.97Å; L810-F816 HydrophobicContact CG-CD2 4.19Å; L810-F816 HydrophobicContact CG-CG 4.03Å; F813-F816 HydrophobicContact CB-CD2 3.65Å; F813-F816 HydrophobicContact CB-CE2 3.93Å; F813-F816 PolarHBondContact O-N 3.35Å; P814-F816 PolarHBondContact O-N 2.89Å; F816-I818 HydrophobicContact CB-CG1 4.49Å; F816-I837 HydrophobicContact CD1-CG2 4.44Å; F816-M840 HydrophobicContact CD1-CG 3.83Å; F816-M840 HydrophobicContact CE1-CG 3.79Å; F816-M840 HydrophobicContact CE1-SD 3.95Å; F816-M840 HydrophobicContact CG-CG 4.46Å; F816-M840 HydrophobicContact CZ-CG 4.39Å; F816-M840 HydrophobicContact CZ-SD 4.09Å
817	V	93.9	Very high	91.1	Very high	39 Å²	39	68 Å²	68	24%	0.236	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	116.6	172.3	-173.5	0	0	0	0	109.6	V838 G839 Q841	V817-V838 HydrophobicContact CB-CB 4.25Å; V817-V838 HydrophobicContact CG1-CB 4.12Å; V817-V838 HydrophobicContact CG1-CG2 4.48Å; V817-V838 PolarHBondContact O-N 3.26Å; V817-G839 PolarHBondContact N-O 2.82Å; V817-Q841 HydrophobicContact CG2-CG 3.54Å
818	I	93.7	Very high	90.4	Very high	46 Å²	46	71.8 Å²	71.8	24%	0.236	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	128.9	-178.9	-45.4	172.1	0	0	0	109.2	A807 L810 R811 F816 F835 W836	A807-I818 HydrophobicContact CB-CG2 4.44Å; L810-I818 HydrophobicContact CB-CD1 3.81Å; L810-I818 HydrophobicContact CD2-CD1 3.63Å; L810-I818 HydrophobicContact CD2-CG1 3.88Å; L810-I818 HydrophobicContact CG-CD1 3.74Å; L810-I818 HydrophobicContact CG-CG1 4.41Å; R811-I818 HydrophobicContact CG-CD1 4.42Å; F816-I818 HydrophobicContact CB-CG1 4.49Å; I818-F835 HydrophobicContact CG2-CB 3.66Å; I818-F835 HydrophobicContact CG2-CD1 3.88Å; I818-F835 HydrophobicContact CG2-CG 4.07Å; I818-W836 CarbonylContact C-O 3.6Å; I818-W836 WeakPolarHBondContact CA-O 3.34Å
819	E	94.4	Very high	89.9	Confident	103 Å²	103	72.9 Å²	72.9	48%	0.481	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	137.1	176	-70.4	176.9	-178.5	0	0	110.6	R821 F835 W836 V838	E819-R821 PolarHBondContact O-N 3.08Å; E819-F835 CarbonylContact O-C 3.56Å; E819-F835 VanDerWaalsContact O-CA 3.23Å; E819-F835 WeakPolarHBondContact O-CA 3.33Å; E819-W836 HydrophobicContact CB-CB 4.35Å; E819-W836 PolarHBondContact N-O 2.91Å; E819-W836 PolarHBondContact O-N 2.93Å; E819-V838 HydrophobicContact CB-CG2 4.19Å; E819-V838 HydrophobicContact CG-CG2 3.75Å
820	E	94.1	Very high	89.4	Confident	123 Å²	123	72.8 Å²	72.8	58%	0.575	38%	0.378	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.3	125.4	173.8	-173.4	172.5	167.5	0	0	110.1	F835	E820-F835 HydrophobicContact CB-CD1 4.07Å; E820-F835 HydrophobicContact CB-CE1 3.84Å; E820-F835 HydrophobicContact CG-CD1 4.42Å; E820-F835 HydrophobicContact CG-CE1 3.97Å; E820-F835 HydrophobicContact CG-CZ 4.4Å
821	R	90.6	Very high	89.1	Confident	62 Å²	62	82 Å²	82	23%	0.234	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	-28.4	173.5	-177.4	-174.6	-179.1	-172	10.5	111.6	T794 E819 T834 W836	T794-R821 PolarHBondContact O-NH1 2.85Å; T794-R821 PolarHBondContact O-NH2 3.24Å; E819-R821 PolarHBondContact O-N 3.08Å; R821-T834 WeakPolarHBondContact CB-O 3.47Å; R821-T834 WeakPolarHBondContact CD-OG1 3.46Å; R821-T834 PolarHBondContact N-O 3.26Å; R821-W836 HydrophobicContact CG-CZ2 3.92Å; R821-W836 VanDerWaalsContact NE-CZ2 3.31Å
822	G	89.3	Confident	88.9	Confident	21 Å²	21	76.7 Å²	76.7	22%	0.216	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	103.6	-168.6	-173	0	0	0	0	0	112.8	T834	G822-T834 PolarHBondContact O-N 3.42Å; G822-T834 PolarHBondContact O-OG1 2.86Å
823	E	87.7	Confident	89	Confident	115 Å²	115	75.4 Å²	75.4	54%	0.537	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	128.9	178.1	-70.4	-175.7	-177.8	0	0	111.6	M832 K833	E823-M832 WeakPolarHBondContact CA-O 3.49Å; E823-K833 HydrophobicContact CG-CG 3.71Å
824	F	84	Confident	89	Confident	82 Å²	82	73.9 Å²	73.9	36%	0.36	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	141.2	177.8	-149.3	-93.4	0	0	0	110.1	T794 V826 R831 M832	T794-F824 HydrophobicContact CG2-CD1 4.01Å; T794-F824 HydrophobicContact CG2-CE1 3.85Å; F824-V826 PolarHBondContact O-N 3.39Å; F824-R831 WeakPolarHBondContact O-CA 3.43Å; F824-M832 PolarHBondContact N-O 3.15Å; F824-M832 PolarHBondContact O-N 3.07Å
825	D	86	Confident	89.4	Confident	117 Å²	117	69 Å²	69	63%	0.626	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.4	111	177.5	-162.3	0.6	0	0	0	109.9
826	V	83.8	Confident	89.5	Confident	0 Å²	0	68 Å²	68	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	121.4	-175.4	176.1	0	0	0	0	109	R790 M791 F824 G828 K829 G830 M832	R790-V826 HydrophobicContact CB-CG1 3.48Å; R790-V826 VanDerWaalsContact CB-CG1 3.48Å; R790-V826 HydrophobicContact CG-CG1 3.72Å; M791-V826 HydrophobicContact CE-CG1 4.46Å; M791-V826 HydrophobicContact CE-CG2 3.84Å; F824-V826 PolarHBondContact O-N 3.39Å; V826-G828 PolarHBondContact O-N 3Å; V826-G828 VanDerWaalsContact O-N 3.08Å; V826-K829 HydrophobicContact CB-CB 3.98Å; V826-K829 HydrophobicContact CG1-CB 3.89Å; V826-K829 HydrophobicContact CG1-CG 3.88Å; V826-K829 PolarHBondContact O-N 3.17Å; V826-G830 PolarHBondContact N-O 2.83Å; V826-G830 PolarHBondContact O-N 3.48Å; V826-M832 HydrophobicContact CB-CG 4.39Å; V826-M832 HydrophobicContact CB-SD 4.07Å; V826-M832 HydrophobicContact CG1-SD 4.24Å; V826-M832 HydrophobicContact CG2-CB 4.22Å; V826-M832 HydrophobicContact CG2-CG 4.29Å; V826-M832 HydrophobicContact CG2-SD 4.11Å
827	K	80.1	Confident	89.6	Confident	167 Å²	167	67.5 Å²	67.5	73%	0.726	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	117.1	-177	-174.4	178.1	-179.2	177.5	0	111.9	R790 K829	R790-K827 PolarHBondContact NE-O 3.16Å; K827-K829 VanDerWaalsContact C-N 3.32Å
828	G	80.5	Confident	89.5	Confident	79 Å²	79	69 Å²	69	81%	0.814	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	82	2.9	179.9	0	0	0	0	0	115.1	V826	V826-G828 PolarHBondContact O-N 3Å; V826-G828 VanDerWaalsContact O-N 3.08Å
829	K	83	Confident	89.3	Confident	77 Å²	77	67.4 Å²	67.4	34%	0.335	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121	-21.6	176.7	-61.8	-68.8	169.1	-163.8	0	113.6	D783 T787 V826 K827 M832	D783-K829 IonicContact OD1-NZ 2.78Å; D783-K829 PolarHBondContact OD1-NZ 2.97Å; D783-K829 IonicContact OD2-NZ 3.51Å; D783-K829 PolarHBondContact OD2-NZ 3.34Å; T787-K829 WeakPolarHBondContact OG1-CE 3.18Å; V826-K829 HydrophobicContact CB-CB 3.98Å; V826-K829 HydrophobicContact CG1-CB 3.89Å; V826-K829 HydrophobicContact CG1-CG 3.88Å; V826-K829 PolarHBondContact O-N 3.17Å; K827-K829 VanDerWaalsContact C-N 3.32Å; K829-M832 HydrophobicContact CB-CG 4.14Å; K829-M832 HydrophobicContact CB-SD 3.55Å; K829-M832 VanDerWaalsContact CB-SD 3.55Å; K829-M832 HydrophobicContact CG-SD 3.92Å
830	G	86.3	Confident	88.9	Confident	32 Å²	32	66.5 Å²	66.5	33%	0.33	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	80.7	-157.8	-173.6	0	0	0	0	0	111.4	V826 M832	V826-G830 PolarHBondContact N-O 2.83Å; V826-G830 PolarHBondContact O-N 3.48Å; G830-M832 PolarHBondContact O-N 2.73Å
831	R	88.3	Confident	88.1	Confident	194 Å²	194	67 Å²	67	73%	0.732	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.4	121.2	179	-68.3	-172.3	-179.2	-174.5	0.7	110.7	F824	F824-R831 WeakPolarHBondContact O-CA 3.43Å
832	M	90.2	Very high	86.5	Confident	37 Å²	37	75.4 Å²	75.4	18%	0.182	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	138.2	176	-64.7	-175.1	71	0	0	110.1	T787 M791 E823 F824 V826 K829 G830	T787-M832 HydrophobicContact CG2-CE 3.99Å; M791-M832 HydrophobicContact CE-SD 4.31Å; E823-M832 WeakPolarHBondContact CA-O 3.49Å; F824-M832 PolarHBondContact N-O 3.15Å; F824-M832 PolarHBondContact O-N 3.07Å; V826-M832 HydrophobicContact CB-CG 4.39Å; V826-M832 HydrophobicContact CB-SD 4.07Å; V826-M832 HydrophobicContact CG1-SD 4.24Å; V826-M832 HydrophobicContact CG2-CB 4.22Å; V826-M832 HydrophobicContact CG2-CG 4.29Å; V826-M832 HydrophobicContact CG2-SD 4.11Å; K829-M832 HydrophobicContact CB-CG 4.14Å; K829-M832 HydrophobicContact CB-SD 3.55Å; K829-M832 VanDerWaalsContact CB-SD 3.55Å; K829-M832 HydrophobicContact CG-SD 3.92Å; G830-M832 PolarHBondContact O-N 2.73Å
833	K	93.1	Very high	86.3	Confident	79 Å²	79	78.2 Å²	78.2	34%	0.343	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	132.6	166.6	-73.8	-174.6	-179.7	-176.6	0	110	E804 E823 F835	E804-K833 HydrophobicContact CB-CB 4.44Å; E804-K833 PolarHBondContact N-O 3.33Å; E823-K833 HydrophobicContact CG-CG 3.71Å; K833-F835 HydrophobicContact CB-CE2 4.46Å
834	T	94.3	Very high	86.3	Confident	0 Å²	0	76.2 Å²	76.2	0%	0	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	155.5	-176.4	58.1	0	0	0	0	110.7	M791 A802 R821 G822	M791-T834 HydrophobicContact CE-CG2 4.13Å; M791-T834 HydrophobicContact SD-CG2 3.82Å; A802-T834 WeakPolarHBondContact O-CA 3.36Å; R821-T834 WeakPolarHBondContact CB-O 3.47Å; R821-T834 WeakPolarHBondContact CD-OG1 3.46Å; R821-T834 PolarHBondContact N-O 3.26Å; G822-T834 PolarHBondContact O-N 3.42Å; G822-T834 PolarHBondContact O-OG1 2.86Å
835	F	96.4	Very high	86.4	Confident	8 Å²	8	75.9 Å²	75.9	4%	0.035	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	149.7	-173.7	-64.7	-94.1	0	0	0	110.4	Q801 A802 E804 A807 I818 E819 E820 K833	Q801-F835 CarbonylContact C-O 3.57Å; Q801-F835 WeakPolarHBondContact CA-O 3.48Å; A802-F835 PolarHBondContact N-O 3.29Å; A802-F835 PolarHBondContact O-N 3.37Å; E804-F835 HydrophobicContact CB-CE2 4.06Å; E804-F835 HydrophobicContact CG-CE2 4.18Å; A807-F835 HydrophobicContact CB-CB 4.07Å; A807-F835 HydrophobicContact CB-CD1 4.15Å; A807-F835 HydrophobicContact CB-CD2 3.39Å; A807-F835 HydrophobicContact CB-CE2 3.84Å; A807-F835 HydrophobicContact CB-CG 3.59Å; A807-F835 HydrophobicContact CB-CZ 4.39Å; I818-F835 HydrophobicContact CG2-CB 3.66Å; I818-F835 HydrophobicContact CG2-CD1 3.88Å; I818-F835 HydrophobicContact CG2-CG 4.07Å; E819-F835 CarbonylContact O-C 3.56Å; E819-F835 VanDerWaalsContact O-CA 3.23Å; E819-F835 WeakPolarHBondContact O-CA 3.33Å; E820-F835 HydrophobicContact CB-CD1 4.07Å; E820-F835 HydrophobicContact CB-CE1 3.84Å; E820-F835 HydrophobicContact CG-CD1 4.42Å; E820-F835 HydrophobicContact CG-CE1 3.97Å; E820-F835 HydrophobicContact CG-CZ 4.4Å; K833-F835 HydrophobicContact CB-CE2 4.46Å
836	W	96.1	Very high	86.4	Confident	31 Å²	31	73.5 Å²	73.5	12%	0.117	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	130.3	167.1	-62.5	121	0	0	0	109.6	L796 K799 I800 Q801 I818 E819 R821 V838	L796-W836 HydrophobicContact CB-CH2 3.96Å; L796-W836 HydrophobicContact CD1-CH2 4.04Å; L796-W836 HydrophobicContact CD1-CZ2 3.76Å; L796-W836 HydrophobicContact CG-CH2 3.78Å; L796-W836 HydrophobicContact CG-CZ2 4Å; K799-W836 HydrophobicContact CB-CE3 3.76Å; K799-W836 HydrophobicContact CB-CH2 4.17Å; K799-W836 HydrophobicContact CB-CZ3 3.49Å; K799-W836 VanDerWaalsContact CB-CZ3 3.49Å; K799-W836 HydrophobicContact CG-CZ3 4.43Å; I800-W836 WeakPolarHBondContact O-CA 3.46Å; Q801-W836 HydrophobicContact CB-CE3 4.21Å; Q801-W836 HydrophobicContact CB-CZ3 3.74Å; Q801-W836 HydrophobicContact CG-CZ3 4.42Å; I818-W836 CarbonylContact C-O 3.6Å; I818-W836 WeakPolarHBondContact CA-O 3.34Å; E819-W836 HydrophobicContact CB-CB 4.35Å; E819-W836 PolarHBondContact N-O 2.91Å; E819-W836 PolarHBondContact O-N 2.93Å; R821-W836 HydrophobicContact CG-CZ2 3.92Å; R821-W836 VanDerWaalsContact NE-CZ2 3.31Å; W836-V838 HydrophobicContact CB-CG2 4.28Å
837	I	95.5	Very high	86.6	Confident	6 Å²	6	78.1 Å²	78.1	3%	0.031	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	109.7	164.7	-59.8	166.4	0	0	0	106.3	C732 I736 I800 A802 L810 F816	C732-I837 HydrophobicContact CB-CD1 4.32Å; C732-I837 WeakPolarHBondContact SG-CD1 3.31Å; I736-I837 HydrophobicContact CD1-CG2 4.15Å; I736-I837 HydrophobicContact CG1-CG2 4.35Å; I800-I837 HydrophobicContact CB-CB 4.06Å; I800-I837 HydrophobicContact CG2-CB 3.9Å; I800-I837 HydrophobicContact CG2-CD1 3.8Å; I800-I837 HydrophobicContact CG2-CG1 4.27Å; I800-I837 PolarHBondContact O-N 2.72Å; A802-I837 HydrophobicContact CB-CD1 3.8Å; A802-I837 HydrophobicContact CB-CG1 4.04Å; L810-I837 HydrophobicContact CD2-CD1 3.97Å; L810-I837 HydrophobicContact CD2-CG1 3.95Å; F816-I837 HydrophobicContact CD1-CG2 4.44Å
838	V	91.7	Very high	87	Confident	69 Å²	69	72.1 Å²	72.1	42%	0.418	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	-37.2	-169.3	-177.2	0	0	0	0	111.9	V817 E819 W836	V817-V838 HydrophobicContact CB-CB 4.25Å; V817-V838 HydrophobicContact CG1-CB 4.12Å; V817-V838 HydrophobicContact CG1-CG2 4.48Å; V817-V838 PolarHBondContact O-N 3.26Å; E819-V838 HydrophobicContact CB-CG2 4.19Å; E819-V838 HydrophobicContact CG-CG2 3.75Å; W836-V838 HydrophobicContact CB-CG2 4.28Å
839	G	89.3	Confident	87.5	Confident	14 Å²	14	71.6 Å²	71.6	14%	0.144	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	167.4	-166.4	-176.8	0	0	0	0	0	112	V817	V817-G839 PolarHBondContact N-O 2.82Å
840	M	87.1	Confident	87.8	Confident	83 Å²	83	71.2 Å²	71.2	41%	0.409	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	141.4	172.5	-67.3	-179.3	-68.1	0	0	110.7	R733 I736 E815 F816	R733-M840 HydrophobicContact CG-CE 4.39Å; R733-M840 HydrophobicContact CG-SD 3.81Å; I736-M840 HydrophobicContact CD1-CG 3.89Å; E815-M840 CarbonylContact O-C 3.6Å; E815-M840 WeakPolarHBondContact O-CA 3.42Å; F816-M840 HydrophobicContact CD1-CG 3.83Å; F816-M840 HydrophobicContact CE1-CG 3.79Å; F816-M840 HydrophobicContact CE1-SD 3.95Å; F816-M840 HydrophobicContact CG-CG 4.46Å; F816-M840 HydrophobicContact CZ-CG 4.39Å; F816-M840 HydrophobicContact CZ-SD 4.09Å
841	Q	77.3	Confident	87.9	Confident	134 Å²	134	74.5 Å²	74.5	63%	0.626	36%	0.36	S	S	*	.			trans	-80.3	127.8	166.8	-71	179.3	4.6	0	0	108.6	E815 V817	E815-Q841 PolarHBondContact O-N 3.47Å; V817-Q841 HydrophobicContact CG2-CG 3.54Å
842	N	56	Low	87.9	Confident	239 Å²	239	63.6 Å²	63.6	100%	1.278	33%	0.326	S	S	*	.			trans	-69.6	0	177.5	-83.1	-13.9	0	0	0	113

Retrieved 842 of 842 residues in 1337.1 ms (Link to these results)

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