A0A077ZII9_TRITR Loading...

Leucine Rich Repeat family protein

AlphaFold DB , UniProt , Accession A0A077ZII9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 711 aa.

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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	33.5	Very low	32	Very low	234 Å²	234	162.6 Å²	162.6	100%	1.153	87%	0.872	S	S	*	*				0	105.7	0	-77.1	172.6	173.4	0	0	107.3	L3	M1-L3 PolarHBondContact O-N 3.46Å
2	N	33.1	Very low	31.8	Very low	172 Å²	172	162.7 Å²	162.7	92%	0.92	87%	0.87	S	S	*	*			trans	-75.8	110.3	176	-81.4	-17.1	0	0	0	108.3
3	L	30.8	Very low	31.8	Very low	157 Å²	157	163.4 Å²	163.4	82%	0.822	87%	0.872	S	S	*	*			trans	-106.5	136.6	167.7	-83.1	159.5	0	0	0	109.2	M1	M1-L3 PolarHBondContact O-N 3.46Å
4	P	36	Very low	31.7	Very low	119 Å²	119	159.9 Å²	159.9	77%	0.773	87%	0.868	S	S	*	*			trans	-92.8	146.4	-164.7	2.6	19.5	0	0	0	113.4	N6	P4-N6 PolarHBondContact O-N 3.42Å
5	N	36.3	Very low	31.5	Very low	163 Å²	163	159 Å²	159	87%	0.872	86%	0.861	S	S	*	*	S	Bend	trans	-72.6	36.5	-167.1	-92.9	-14.4	0	0	0	118.2
6	N	31.5	Very low	31.5	Very low	157 Å²	157	156.4 Å²	156.4	84%	0.84	86%	0.855	S	S	*	*			trans	-112.5	19.9	-177.4	-92.9	10.1	0	0	0	117.1	P4	P4-N6 PolarHBondContact O-N 3.42Å
7	F	28.8	Very low	31.4	Very low	214 Å²	214	157.9 Å²	157.9	94%	0.939	86%	0.86	S	S	*	*			trans	-107.6	88.1	165.5	-93.7	-88	0	0	0	110.6
8	C	29.2	Very low	31.4	Very low	111 Å²	111	153.2 Å²	153.2	75%	0.75	85%	0.846	S	S	*	*			trans	-121.7	137.6	161.6	-117.6	0	0	0	0	107.9
9	I	31.2	Very low	31.6	Very low	159 Å²	159	151.5 Å²	151.5	82%	0.815	85%	0.846	S	S	*	*			trans	87	81.9	161.3	-45	147.9	0	0	0	115.6
10	T	31.3	Very low	31.9	Very low	132 Å²	132	149 Å²	149	81%	0.81	84%	0.835	S	S	*	*	S	Bend	trans	-171.9	69.7	136	38.4	0	0	0	0	109.8
11	L	30.3	Very low	32.5	Very low	171 Å²	171	144.7 Å²	144.7	90%	0.895	81%	0.814	S	S	*	*	S	Bend	trans	179.9	95.1	157.6	-109.7	134.8	0	0	0	107.4
12	L	30.2	Very low	32.8	Very low	163 Å²	163	142.3 Å²	142.3	85%	0.853	80%	0.798	S	S	*	*			trans	172.4	59.2	156.4	-91.3	158.7	0	0	0	109.1
13	L	31.5	Very low	33.5	Very low	172 Å²	172	138.5 Å²	138.5	90%	0.901	78%	0.777	S	S	*	*			trans	-108.5	92.8	159.4	-84.1	164.2	0	0	0	106
14	S	30.3	Very low	34.5	Very low	115 Å²	115	134.8 Å²	134.8	80%	0.804	76%	0.763	S	S	*	*			trans	155.2	60.8	157.8	50.9	0	0	0	0	113.6
15	L	29.1	Very low	35.4	Very low	146 Å²	146	134.7 Å²	134.7	76%	0.764	75%	0.752	S	S	*	*	S	Bend	trans	-139.8	133.1	155.8	-83	171	0	0	0	108.8
16	P	31.2	Very low	36.6	Very low	118 Å²	118	130.2 Å²	130.2	77%	0.766	73%	0.725	S	S	*	*			trans	-70.2	137.6	-171	25.7	-26.5	0	0	0	110.5	A18	P16-A18 VanDerWaalsContact C-N 3.29Å; P16-A18 PolarHBondContact O-N 3.26Å
17	L	30.6	Very low	38.6	Very low	181 Å²	181	127.8 Å²	127.8	95%	0.948	71%	0.712	S	S	*	*			trans	-57.3	77.6	-175	-69	127.4	0	0	0	112.9	S19	L17-S19 PolarHBondContact O-N 3.37Å
18	A	30.4	Very low	41.1	Very low	73 Å²	73	118.1 Å²	118.1	60%	0.603	67%	0.671	S	S	*	*			trans	-66.5	123.8	147.1	0	0	0	0	0	106	P16 T20	P16-A18 VanDerWaalsContact C-N 3.29Å; P16-A18 PolarHBondContact O-N 3.26Å; A18-T20 PolarHBondContact O-N 3.27Å; A18-T20 PolarHBondContact O-OG1 3.36Å
19	S	36.2	Very low	43.7	Very low	121 Å²	121	118.1 Å²	118.1	85%	0.846	66%	0.664	S	S	*	*			trans	-52.6	78.3	-178.2	54.7	0	0	0	0	112	L17	L17-S19 PolarHBondContact O-N 3.37Å
20	T	36.3	Very low	46	Very low	101 Å²	101	111.2 Å²	111.2	62%	0.62	63%	0.629	S	S	*	*			trans	-85	115	176.5	37.3	0	0	0	0	106.1	A18 F22	A18-T20 PolarHBondContact O-N 3.27Å; A18-T20 PolarHBondContact O-OG1 3.36Å; T20-F22 PolarHBondContact O-N 3.01Å
21	C	44.4	Very low	48.4	Very low	59 Å²	59	108.2 Å²	108.2	40%	0.399	61%	0.614	S	S	.	*			trans	-55.7	94.7	-178.2	-163.1	0	0	0	0	109.4	N23 C30	C21-N23 PolarHBondContact O-N 3.05Å; C21-C30 HydrophobicContact CB-CB 4.35Å; C21-C30 WeakPolarHBondContact CB-SG 3.34Å; C21-C30 WeakPolarHBondContact SG-CB 3.32Å; C21-C30 CovalentContact SG-SG 2.04Å; C21-C30 PolarHBondContact SG-SG 3.26Å
22	F	41.1	Very low	50.9	Low	185 Å²	185	111 Å²	111	81%	0.811	61%	0.614	S	S	*	*	S	Bend	trans	-76.2	11.9	-169.2	-127.2	-87.7	0	0	0	113.7	T20	T20-F22 PolarHBondContact O-N 3.01Å
23	N	47.9	Very low	53.3	Low	92 Å²	92	104 Å²	104	49%	0.492	58%	0.581	S	S	.	*			trans	-141.9	56.5	-175.1	-89.7	-33.3	0	0	0	113	C21 H25	C21-N23 PolarHBondContact O-N 3.05Å; N23-H25 PolarHBondContact O-N 3.08Å
24	C	50.2	Low	56	Low	78 Å²	78	101.8 Å²	101.8	53%	0.527	56%	0.561	S	S	.	*			trans	-69	38.2	157	-71.4	0	0	0	0	112.2
25	H	54.6	Low	58.8	Low	117 Å²	117	97 Å²	97	54%	0.542	53%	0.525	S	S	.	.			trans	-82.3	148.6	170.8	-87.7	-67.8	0	0	0	109.6	N23	N23-H25 PolarHBondContact O-N 3.08Å
26	F	62	Low	61.7	Low	69 Å²	69	91.8 Å²	91.8	30%	0.303	50%	0.499	S	S	.	.	S	Bend	trans	76.7	42.2	171.4	-43.7	-71.4	0	0	0	117.4	C28 L44 R47 L48	F26-C28 PolarHBondContact O-N 3.18Å; F26-C28 VanDerWaalsContact O-N 3.12Å; F26-C28 PolarHBondContact O-SG 3.39Å; F26-L44 HydrophobicContact CB-CD2 4.37Å; F26-L44 HydrophobicContact CD1-CD2 3.53Å; F26-L44 HydrophobicContact CE1-CD2 4.19Å; F26-L44 HydrophobicContact CG-CD2 4.26Å; F26-R47 HydrophobicContact CE2-CB 4.34Å; F26-R47 HydrophobicContact CZ-CB 4.42Å; F26-L48 HydrophobicContact CD2-CD2 4.44Å
27	N	74.3	Confident	64.4	Low	107 Å²	107	86.2 Å²	86.2	57%	0.572	46%	0.463	S	S	*	.	S	Bend	trans	61.8	16.7	174.8	-67	-21	0	0	0	115.3	R38	N27-R38 HydrophobicContact CB-CB 4.47Å; N27-R38 PolarHBondContact O-N 2.85Å
28	C	80.4	Confident	67.1	Low	10 Å²	10	86.7 Å²	86.7	7%	0.068	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	136.5	177.6	-57.4	0	0	0	0	111.1	F26 V36 C37	F26-C28 PolarHBondContact O-N 3.18Å; F26-C28 VanDerWaalsContact O-N 3.12Å; F26-C28 PolarHBondContact O-SG 3.39Å; C28-V36 CarbonylContact C-O 3.39Å; C28-V36 WeakPolarHBondContact CA-O 3.44Å; C28-C37 HydrophobicContact CB-CB 4.03Å; C28-C37 WeakPolarHBondContact CB-SG 3.44Å; C28-C37 WeakPolarHBondContact SG-CB 3.48Å; C28-C37 CovalentContact SG-SG 2.03Å; C28-C37 PolarHBondContact SG-SG 2.98Å
29	N	83.5	Confident	69.7	Low	112 Å²	112	84.2 Å²	84.2	60%	0.599	43%	0.43	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.3	135.3	168.7	-165.9	7.9	0	0	0	109	Y35 V36	N29-Y35 WeakPolarHBondContact O-CA 3.5Å; N29-V36 PolarHBondContact N-O 3.13Å; N29-V36 PolarHBondContact O-N 3.1Å
30	C	80.7	Confident	72	Confident	13 Å²	13	78.5 Å²	78.5	9%	0.088	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	136.3	-176.3	48.4	0	0	0	0	111.5	C21 R34 Y35	C21-C30 HydrophobicContact CB-CB 4.35Å; C21-C30 WeakPolarHBondContact CB-SG 3.34Å; C21-C30 WeakPolarHBondContact SG-CB 3.32Å; C21-C30 CovalentContact SG-SG 2.04Å; C21-C30 PolarHBondContact SG-SG 3.26Å; C30-R34 WeakPolarHBondContact CA-O 3.49Å; C30-Y35 HydrophobicContact CB-CD1 3.84Å; C30-Y35 HydrophobicContact CB-CD2 4.45Å; C30-Y35 HydrophobicContact CB-CE1 3.54Å; C30-Y35 HydrophobicContact CB-CE2 4.18Å; C30-Y35 HydrophobicContact CB-CG 4.29Å
31	S	80.7	Confident	74.2	Confident	70 Å²	70	75.4 Å²	75.4	49%	0.49	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	120.6	173.2	137.5	0	0	0	0	108.8	G33 R34	S31-G33 PolarHBondContact O-N 3.19Å; S31-R34 PolarHBondContact N-O 3.38Å; S31-R34 WeakPolarHBondContact O-CB 3.11Å; S31-R34 PolarHBondContact O-N 2.92Å
32	Y	82.8	Confident	75.8	Confident	229 Å²	229	74.5 Å²	74.5	90%	0.898	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.7	49.6	175.4	-54.5	-79.8	0	0	0	114.6	R34	Y32-R34 PolarHBondContact O-N 3.08Å
33	G	81.3	Confident	77.6	Confident	15 Å²	15	73.4 Å²	73.4	16%	0.155	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.4	-1.2	-179.9	0	0	0	0	0	115.5	S31 E53 V55 V56	S31-G33 PolarHBondContact O-N 3.19Å; G33-E53 WeakPolarHBondContact CA-O 3.48Å; G33-V55 PolarHBondContact O-N 3.47Å; G33-V56 PolarHBondContact O-N 3.04Å
34	R	88.3	Confident	78.9	Confident	127 Å²	127	71.2 Å²	71.2	48%	0.479	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	123.9	169	-178.8	175.6	-175.2	-158.3	0.8	110.2	C30 S31 Y32 V36 V56 E58	C30-R34 WeakPolarHBondContact CA-O 3.49Å; S31-R34 PolarHBondContact N-O 3.38Å; S31-R34 WeakPolarHBondContact O-CB 3.11Å; S31-R34 PolarHBondContact O-N 2.92Å; Y32-R34 PolarHBondContact O-N 3.08Å; R34-V36 HydrophobicContact CG-CG2 4.3Å; R34-V56 WeakPolarHBondContact CA-O 3.44Å; R34-V56 HydrophobicContact CB-CB 4.2Å; R34-V56 HydrophobicContact CG-CB 3.99Å; R34-V56 HydrophobicContact CG-CG1 4Å; R34-E58 IonicContact CZ-OE2 3.78Å; R34-E58 IonicContact NE-OE2 2.75Å; R34-E58 IonicContact NH2-OE2 2.88Å; R34-E58 PolarHBondContact NH2-OE2 3.42Å
35	Y	88.7	Confident	80.1	Confident	13 Å²	13	67.5 Å²	67.5	5%	0.051	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	122.4	178.7	-75.7	-106.4	0	0	0	109.6	N29 C30 L51 V54 V56 E58	N29-Y35 WeakPolarHBondContact O-CA 3.5Å; C30-Y35 HydrophobicContact CB-CD1 3.84Å; C30-Y35 HydrophobicContact CB-CD2 4.45Å; C30-Y35 HydrophobicContact CB-CE1 3.54Å; C30-Y35 HydrophobicContact CB-CE2 4.18Å; C30-Y35 HydrophobicContact CB-CG 4.29Å; Y35-L51 HydrophobicContact CE1-CD1 3.71Å; Y35-V54 HydrophobicContact CD2-CB 4.19Å; Y35-V54 HydrophobicContact CD2-CG1 3.91Å; Y35-V54 HydrophobicContact CD2-CG2 3.65Å; Y35-V54 HydrophobicContact CE2-CB 4.39Å; Y35-V54 HydrophobicContact CE2-CG2 3.62Å; Y35-V54 HydrophobicContact CG-CG1 4.43Å; Y35-V54 HydrophobicContact CG-CG2 4.21Å; Y35-V56 PolarHBondContact N-O 3.23Å; Y35-E58 PolarHBondContact O-N 3.4Å
36	V	89.6	Confident	81	Confident	38 Å²	38	66.1 Å²	66.1	23%	0.23	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	111.2	176.9	-177.1	0	0	0	0	108.7	C28 N29 R34 E58 H60	C28-V36 CarbonylContact C-O 3.39Å; C28-V36 WeakPolarHBondContact CA-O 3.44Å; N29-V36 PolarHBondContact N-O 3.13Å; N29-V36 PolarHBondContact O-N 3.1Å; R34-V36 HydrophobicContact CG-CG2 4.3Å; V36-E58 CarbonylContact C-O 3.25Å; V36-E58 WeakPolarHBondContact CA-O 3.31Å; V36-E58 HydrophobicContact CG2-CB 4.33Å; V36-H60 WeakPolarHBondContact CG1-NE2 3.18Å
37	C	88.7	Confident	81.4	Confident	0 Å²	0	71.2 Å²	71.2	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	130.1	-174.8	-60.3	0	0	0	0	111.5	C28 V40 E58 I59 H60	C28-C37 HydrophobicContact CB-CB 4.03Å; C28-C37 WeakPolarHBondContact CB-SG 3.44Å; C28-C37 WeakPolarHBondContact SG-CB 3.48Å; C28-C37 CovalentContact SG-SG 2.03Å; C28-C37 PolarHBondContact SG-SG 2.98Å; C37-V40 HydrophobicContact CB-CG2 3.36Å; C37-E58 PolarHBondContact N-O 2.91Å; C37-I59 HydrophobicContact CB-CG1 4.43Å; C37-H60 PolarHBondContact O-N 3.26Å
38	R	87	Confident	81	Confident	191 Å²	191	66.6 Å²	66.6	72%	0.721	31%	0.311	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72	-57.6	-179.3	-69	-175.5	-179.4	173.9	0.5	112.2	N27 H60 E61	N27-R38 HydrophobicContact CB-CB 4.47Å; N27-R38 PolarHBondContact O-N 2.85Å; R38-H60 WeakPolarHBondContact O-CB 3.36Å; R38-E61 WeakPolarHBondContact O-CB 3.25Å; R38-E61 PolarHBondContact O-N 3.36Å
39	S	85.3	Confident	80.1	Confident	21 Å²	21	67.2 Å²	67.2	15%	0.147	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	116.5	-174.4	-168.5	0	0	0	0	110	E61 L63	S39-E61 WeakPolarHBondContact CA-O 3.5Å; S39-E61 VanDerWaalsContact CB-OE2 3.27Å; S39-E61 WeakPolarHBondContact CB-OE2 3.38Å; S39-E61 PolarHBondContact OG-OE2 2.92Å; S39-L63 WeakPolarHBondContact OG-CD1 3.37Å; S39-L63 WeakPolarHBondContact OG-CD2 3.22Å; S39-L63 WeakPolarHBondContact OG-CG 3.49Å
40	V	84.5	Confident	78.9	Confident	1 Å²	1	68.8 Å²	68.8	1%	0.006	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	149.9	-169.2	-162.1	0	0	0	0	112	C37 L44 L45 I59 E61 L63	C37-V40 HydrophobicContact CB-CG2 3.36Å; V40-L44 HydrophobicContact CG1-CB 3.73Å; V40-L45 HydrophobicContact CB-CD1 4.15Å; V40-L45 HydrophobicContact CG1-CB 4.36Å; V40-L45 HydrophobicContact CG1-CD1 3.54Å; V40-L45 HydrophobicContact CG1-CG 3.62Å; V40-I59 HydrophobicContact CB-CG2 4.42Å; V40-E61 PolarHBondContact N-O 2.91Å; V40-L63 PolarHBondContact O-N 3.2Å
41	N	82.9	Confident	78.1	Confident	37 Å²	37	70 Å²	70	20%	0.198	33%	0.33	C	S	.	.			trans	-119.3	168	167.3	60.5	24.8	0	0	0	111.2	K43 L44 L45 L63 D64	N41-K43 PolarHBondContact O-N 3.26Å; N41-K43 PolarHBondContact OD1-N 3.33Å; N41-L44 PolarHBondContact O-N 3.43Å; N41-L44 VanDerWaalsContact O-N 3.13Å; N41-L44 WeakPolarHBondContact OD1-CB 3.35Å; N41-L44 WeakPolarHBondContact OD1-CD1 3.44Å; N41-L44 VanDerWaalsContact OD1-CG 3.25Å; N41-L44 WeakPolarHBondContact OD1-CG 3.41Å; N41-L44 PolarHBondContact OD1-N 3.21Å; N41-L45 PolarHBondContact O-N 2.79Å; N41-L63 HydrophobicContact CB-CB 4.13Å; N41-D64 VanDerWaalsContact CB-OD1 3.31Å; N41-D64 WeakPolarHBondContact CB-OD1 3.34Å
42	S	78.3	Confident	77.5	Confident	39 Å²	39	71 Å²	71	27%	0.273	33%	0.33	S	S	.	.	H	α-helix	trans	-53.1	-37.2	177.6	54.7	0	0	0	0	113.4	L45 N46 D64	S42-L45 PolarHBondContact O-N 3.27Å; S42-N46 PolarHBondContact O-N 3.19Å; S42-D64 WeakPolarHBondContact CB-OD2 3.32Å; S42-D64 PolarHBondContact N-OD2 2.84Å; S42-D64 PolarHBondContact OG-OD2 3.47Å
43	K	78.3	Confident	77.3	Confident	162 Å²	162	66.6 Å²	66.6	70%	0.704	32%	0.317	S	S	*	.	H	α-helix	trans	-65.4	-42	178.7	-68.7	-177.9	-179.7	176.7	0	112.7	N41	N41-K43 PolarHBondContact O-N 3.26Å; N41-K43 PolarHBondContact OD1-N 3.33Å
44	L	75.1	Confident	77.5	Confident	47 Å²	47	66 Å²	66	25%	0.246	31%	0.311	C	S	.	.	H	α-helix	trans	-69.1	-40.6	176.5	-76.2	164	0	0	0	110.7	F26 V40 N41 R47	F26-L44 HydrophobicContact CB-CD2 4.37Å; F26-L44 HydrophobicContact CD1-CD2 3.53Å; F26-L44 HydrophobicContact CE1-CD2 4.19Å; F26-L44 HydrophobicContact CG-CD2 4.26Å; V40-L44 HydrophobicContact CG1-CB 3.73Å; N41-L44 PolarHBondContact O-N 3.43Å; N41-L44 VanDerWaalsContact O-N 3.13Å; N41-L44 WeakPolarHBondContact OD1-CB 3.35Å; N41-L44 WeakPolarHBondContact OD1-CD1 3.44Å; N41-L44 VanDerWaalsContact OD1-CG 3.25Å; N41-L44 WeakPolarHBondContact OD1-CG 3.41Å; N41-L44 PolarHBondContact OD1-N 3.21Å; L44-R47 WeakPolarHBondContact O-CB 3.37Å; L44-R47 PolarHBondContact O-N 2.85Å
45	L	75.4	Confident	77.6	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-67.1	-35.3	177.1	-96.7	147.6	0	0	0	114	V40 N41 S42 R47 L48 S49 L57 I59 W62 F71 F75	V40-L45 HydrophobicContact CB-CD1 4.15Å; V40-L45 HydrophobicContact CG1-CB 4.36Å; V40-L45 HydrophobicContact CG1-CD1 3.54Å; V40-L45 HydrophobicContact CG1-CG 3.62Å; N41-L45 PolarHBondContact O-N 2.79Å; S42-L45 PolarHBondContact O-N 3.27Å; L45-R47 PolarHBondContact O-N 3.38Å; L45-R47 VanDerWaalsContact O-N 3.14Å; L45-L48 HydrophobicContact CD2-CD1 4Å; L45-L48 HydrophobicContact CG-CD1 4.37Å; L45-L48 WeakPolarHBondContact O-CA 3.35Å; L45-L48 VanDerWaalsContact O-CB 3.3Å; L45-L48 WeakPolarHBondContact O-CB 3.47Å; L45-L48 PolarHBondContact O-N 3.21Å; L45-S49 PolarHBondContact O-N 3.1Å; L45-L57 HydrophobicContact CD2-CD1 4.45Å; L45-L57 HydrophobicContact CD2-CD2 3.8Å; L45-I59 HydrophobicContact CD1-CD1 3.66Å; L45-W62 HydrophobicContact CD1-CE3 4.28Å; L45-W62 HydrophobicContact CD1-CH2 3.79Å; L45-W62 HydrophobicContact CD1-CZ3 3.28Å; L45-F71 HydrophobicContact CD1-CE2 4.38Å; L45-F71 HydrophobicContact CD2-CE2 4.3Å; L45-F75 HydrophobicContact CD2-CZ 4.44Å
46	N	74.3	Confident	77.7	Confident	87 Å²	87	63.9 Å²	63.9	47%	0.465	31%	0.313	S	S	.	.	H	α-helix	trans	-61.1	-23.4	174.2	-78.9	-7.6	0	0	0	112.3	S42 L48 S49 F71	S42-N46 PolarHBondContact O-N 3.19Å; N46-L48 VanDerWaalsContact C-N 3.31Å; N46-S49 VanDerWaalsContact O-CB 3.23Å; N46-S49 WeakPolarHBondContact O-CB 3.36Å; N46-S49 PolarHBondContact O-N 2.96Å; N46-S49 PolarHBondContact O-OG 2.85Å; N46-F71 WeakPolarHBondContact OD1-CB 3.49Å
47	R	70	Confident	77.8	Confident	176 Å²	176	62.2 Å²	62.2	66%	0.664	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-21.2	172.3	-61.4	-176.8	176.8	-170.1	-2.3	113.1	F26 L44 L45 S49	F26-R47 HydrophobicContact CE2-CB 4.34Å; F26-R47 HydrophobicContact CZ-CB 4.42Å; L44-R47 WeakPolarHBondContact O-CB 3.37Å; L44-R47 PolarHBondContact O-N 2.85Å; L45-R47 PolarHBondContact O-N 3.38Å; L45-R47 VanDerWaalsContact O-N 3.14Å; R47-S49 VanDerWaalsContact C-N 3.29Å
48	L	65.7	Low	78	Confident	11 Å²	11	63.9 Å²	63.9	6%	0.058	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-6.2	172.1	-64.1	169.2	0	0	0	112.4	F26 L45 N46 N50 L51 F75	F26-L48 HydrophobicContact CD2-CD2 4.44Å; L45-L48 HydrophobicContact CD2-CD1 4Å; L45-L48 HydrophobicContact CG-CD1 4.37Å; L45-L48 WeakPolarHBondContact O-CA 3.35Å; L45-L48 VanDerWaalsContact O-CB 3.3Å; L45-L48 WeakPolarHBondContact O-CB 3.47Å; L45-L48 PolarHBondContact O-N 3.21Å; N46-L48 VanDerWaalsContact C-N 3.31Å; L48-N50 PolarHBondContact O-N 3.39Å; L48-L51 HydrophobicContact CB-CD1 4.12Å; L48-L51 HydrophobicContact CD2-CD1 3.63Å; L48-L51 HydrophobicContact CG-CD1 4.49Å; L48-L51 WeakPolarHBondContact O-CB 3.35Å; L48-L51 WeakPolarHBondContact O-CG 3.38Å; L48-L51 PolarHBondContact O-N 2.97Å; L48-F75 HydrophobicContact CB-CZ 4.44Å
49	S	60.2	Low	78.2	Confident	22 Å²	22	54.8 Å²	54.8	15%	0.154	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-12.4	-172.7	67.2	0	0	0	0	115.3	L45 N46 R47 L51 N74	L45-S49 PolarHBondContact O-N 3.1Å; N46-S49 VanDerWaalsContact O-CB 3.23Å; N46-S49 WeakPolarHBondContact O-CB 3.36Å; N46-S49 PolarHBondContact O-N 2.96Å; N46-S49 PolarHBondContact O-OG 2.85Å; R47-S49 VanDerWaalsContact C-N 3.29Å; S49-L51 PolarHBondContact O-N 3.05Å; S49-N74 WeakPolarHBondContact CB-ND2 3.45Å
50	N	59.5	Low	78.4	Confident	146 Å²	146	57.6 Å²	57.6	78%	0.781	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	8.1	173.7	-71.4	-8.6	0	0	0	113.7	L48	L48-N50 PolarHBondContact O-N 3.39Å
51	L	63.9	Low	78.7	Confident	39 Å²	39	61.7 Å²	61.7	20%	0.204	31%	0.305	C	S	.	.			trans	-102.3	74.5	-179.6	-60.3	169.6	0	0	0	109.9	Y35 L48 S49 E53 V54	Y35-L51 HydrophobicContact CE1-CD1 3.71Å; L48-L51 HydrophobicContact CB-CD1 4.12Å; L48-L51 HydrophobicContact CD2-CD1 3.63Å; L48-L51 HydrophobicContact CG-CD1 4.49Å; L48-L51 WeakPolarHBondContact O-CB 3.35Å; L48-L51 WeakPolarHBondContact O-CG 3.38Å; L48-L51 PolarHBondContact O-N 2.97Å; S49-L51 PolarHBondContact O-N 3.05Å; L51-E53 PolarHBondContact O-N 3.06Å; L51-V54 HydrophobicContact CB-CG2 3.76Å; L51-V54 WeakPolarHBondContact O-CG2 3.3Å; L51-V54 PolarHBondContact O-N 3.44Å
52	D	68.8	Low	79	Confident	91 Å²	91	60.1 Å²	60.1	49%	0.487	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-9.8	171.8	-91.3	-46.2	0	0	0	113.4	S76 R77	D52-S76 PolarHBondContact OD1-OG 3.4Å; D52-S76 VanDerWaalsContact OD1-OG 3.04Å; D52-R77 WeakPolarHBondContact O-CD 3.36Å
53	E	78	Confident	79.3	Confident	136 Å²	136	62.3 Å²	62.3	64%	0.636	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-5.4	178.8	-58.6	-169.8	163.3	0	0	114.5	G33 L51 V55	G33-E53 WeakPolarHBondContact CA-O 3.48Å; L51-E53 PolarHBondContact O-N 3.06Å; E53-V55 PolarHBondContact O-N 3.42Å; E53-V55 VanDerWaalsContact O-N 3.16Å
54	V	84.7	Confident	79.7	Confident	3 Å²	3	56.7 Å²	56.7	2%	0.018	28%	0.283	C	S	.	.			trans	-72.1	112.2	-179.2	-175.3	0	0	0	0	110.4	Y35 L51 L57 F75 R77 L78	Y35-V54 HydrophobicContact CD2-CB 4.19Å; Y35-V54 HydrophobicContact CD2-CG1 3.91Å; Y35-V54 HydrophobicContact CD2-CG2 3.65Å; Y35-V54 HydrophobicContact CE2-CB 4.39Å; Y35-V54 HydrophobicContact CE2-CG2 3.62Å; Y35-V54 HydrophobicContact CG-CG1 4.43Å; Y35-V54 HydrophobicContact CG-CG2 4.21Å; L51-V54 HydrophobicContact CB-CG2 3.76Å; L51-V54 WeakPolarHBondContact O-CG2 3.3Å; L51-V54 PolarHBondContact O-N 3.44Å; V54-L57 HydrophobicContact CG1-CB 4.06Å; V54-F75 HydrophobicContact CB-CD1 3.78Å; V54-F75 HydrophobicContact CB-CE1 4.21Å; V54-F75 HydrophobicContact CG1-CD1 4.35Å; V54-F75 HydrophobicContact CG2-CD1 3.89Å; V54-F75 HydrophobicContact CG2-CE1 3.82Å; V54-R77 CarbonylContact O-C 3.09Å; V54-L78 HydrophobicContact CG1-CD1 3.89Å; V54-L78 WeakPolarHBondContact O-CA 3.47Å; V54-L78 PolarHBondContact O-N 3.34Å
55	V	90.3	Very high	80.3	Confident	58 Å²	58	61.8 Å²	61.8	35%	0.352	31%	0.305	S	S	.	.	S	Bend	trans	-98.7	-34.7	177	-179.8	0	0	0	0	111.3	G33 E53 S79 S80	G33-V55 PolarHBondContact O-N 3.47Å; E53-V55 PolarHBondContact O-N 3.42Å; E53-V55 VanDerWaalsContact O-N 3.16Å; V55-S79 WeakPolarHBondContact CG1-OG 3.26Å; V55-S79 PolarHBondContact O-N 3.05Å; V55-S79 PolarHBondContact O-OG 3.02Å; V55-S80 PolarHBondContact O-N 3.44Å
56	V	92.1	Very high	80.8	Confident	37 Å²	37	67.9 Å²	67.9	22%	0.224	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	126.4	179	178.9	0	0	0	0	108.8	G33 R34 Y35 S80	G33-V56 PolarHBondContact O-N 3.04Å; R34-V56 WeakPolarHBondContact CA-O 3.44Å; R34-V56 HydrophobicContact CB-CB 4.2Å; R34-V56 HydrophobicContact CG-CB 3.99Å; R34-V56 HydrophobicContact CG-CG1 4Å; Y35-V56 PolarHBondContact N-O 3.23Å; V56-S80 WeakPolarHBondContact CA-O 3.47Å
57	L	91	Very high	81.4	Confident	2 Å²	2	63.7 Å²	63.7	1%	0.01	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	119.6	176.5	-179	61.3	0	0	0	109.7	L45 V54 I59 F71 L78 S80 L81 S82	L45-L57 HydrophobicContact CD2-CD1 4.45Å; L45-L57 HydrophobicContact CD2-CD2 3.8Å; V54-L57 HydrophobicContact CG1-CB 4.06Å; L57-I59 HydrophobicContact CD1-CG1 4.37Å; L57-I59 HydrophobicContact CD2-CD1 4.27Å; L57-I59 HydrophobicContact CG-CD1 4.31Å; L57-I59 HydrophobicContact CG-CG1 4.22Å; L57-F71 HydrophobicContact CD2-CE2 4.48Å; L57-L78 HydrophobicContact CB-CD1 3.69Å; L57-S80 PolarHBondContact N-O 2.88Å; L57-L81 HydrophobicContact CB-CD1 4.1Å; L57-L81 HydrophobicContact CD2-CD1 3.87Å; L57-L81 HydrophobicContact CG-CD1 4.06Å; L57-L81 CarbonylContact O-C 3.57Å; L57-L81 WeakPolarHBondContact O-CA 3.49Å; L57-S82 PolarHBondContact O-N 2.99Å
58	E	92.5	Very high	82.2	Confident	35 Å²	35	58.6 Å²	58.6	16%	0.164	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	123.9	179.4	-177.1	173.7	175.1	0	0	109.4	R34 Y35 V36 C37 H60 S82	R34-E58 IonicContact CZ-OE2 3.78Å; R34-E58 IonicContact NE-OE2 2.75Å; R34-E58 IonicContact NH2-OE2 2.88Å; R34-E58 PolarHBondContact NH2-OE2 3.42Å; Y35-E58 PolarHBondContact O-N 3.4Å; V36-E58 CarbonylContact C-O 3.25Å; V36-E58 WeakPolarHBondContact CA-O 3.31Å; V36-E58 HydrophobicContact CG2-CB 4.33Å; C37-E58 PolarHBondContact N-O 2.91Å; E58-H60 IonicContact OE1-NE2 3.86Å; E58-S82 CarbonylContact C-O 3.6Å; E58-S82 WeakPolarHBondContact CA-O 3.47Å
59	I	91.2	Very high	83.1	Confident	0 Å²	0	58 Å²	58	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	115.6	-177	-55.5	171.5	0	0	0	107.1	C37 V40 L45 L57 E61 W62 S82 I83 L84	C37-I59 HydrophobicContact CB-CG1 4.43Å; V40-I59 HydrophobicContact CB-CG2 4.42Å; L45-I59 HydrophobicContact CD1-CD1 3.66Å; L57-I59 HydrophobicContact CD1-CG1 4.37Å; L57-I59 HydrophobicContact CD2-CD1 4.27Å; L57-I59 HydrophobicContact CG-CD1 4.31Å; L57-I59 HydrophobicContact CG-CG1 4.22Å; I59-E61 WeakPolarHBondContact CG2-O 3.36Å; I59-W62 HydrophobicContact CD1-CE3 3.67Å; I59-W62 HydrophobicContact CD1-CZ3 3.56Å; I59-W62 HydrophobicContact CG2-CE3 4.2Å; I59-S82 PolarHBondContact N-O 3.43Å; I59-I83 HydrophobicContact CB-CG1 4.39Å; I59-I83 HydrophobicContact CD1-CG1 4.26Å; I59-I83 WeakPolarHBondContact O-CA 3.43Å; I59-L84 PolarHBondContact O-N 2.93Å
60	H	90.8	Very high	84.1	Confident	80 Å²	80	58.8 Å²	58.8	37%	0.37	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	-47.6	-178.9	-71.1	-158.2	0	0	0	110.6	V36 C37 R38 E58 D85	V36-H60 WeakPolarHBondContact CG1-NE2 3.18Å; C37-H60 PolarHBondContact O-N 3.26Å; R38-H60 WeakPolarHBondContact O-CB 3.36Å; E58-H60 IonicContact OE1-NE2 3.86Å; H60-D85 WeakPolarHBondContact O-CA 3.25Å; H60-D85 WeakPolarHBondContact O-CB 3.38Å; H60-D85 PolarHBondContact O-N 3.45Å
61	E	89.6	Confident	85	Confident	87 Å²	87	52.6 Å²	52.6	41%	0.407	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	117.2	178.6	-173.4	-174.3	-160.2	0	0	110.9	R38 S39 V40 I59 L63 D85	R38-E61 WeakPolarHBondContact O-CB 3.25Å; R38-E61 PolarHBondContact O-N 3.36Å; S39-E61 WeakPolarHBondContact CA-O 3.5Å; S39-E61 VanDerWaalsContact CB-OE2 3.27Å; S39-E61 WeakPolarHBondContact CB-OE2 3.38Å; S39-E61 PolarHBondContact OG-OE2 2.92Å; V40-E61 PolarHBondContact N-O 2.91Å; I59-E61 WeakPolarHBondContact CG2-O 3.36Å; E61-L63 HydrophobicContact CG-CD2 4.15Å; E61-D85 CarbonylContact C-O 3.11Å; E61-D85 WeakPolarHBondContact CA-O 3.34Å
62	W	88.8	Confident	85.7	Confident	4 Å²	4	50.7 Å²	50.7	2%	0.015	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	117.1	172.9	-175.1	-91.5	0	0	0	110.6	L45 I59 D64 R66 V67 F71 I83 D85	L45-W62 HydrophobicContact CD1-CE3 4.28Å; L45-W62 HydrophobicContact CD1-CH2 3.79Å; L45-W62 HydrophobicContact CD1-CZ3 3.28Å; I59-W62 HydrophobicContact CD1-CE3 3.67Å; I59-W62 HydrophobicContact CD1-CZ3 3.56Å; I59-W62 HydrophobicContact CG2-CE3 4.2Å; W62-D64 HydrophobicContact CZ2-CB 4.45Å; W62-D64 PolarHBondContact NE1-O 2.75Å; W62-R66 PolarHBondContact NE1-O 3.21Å; W62-R66 VanDerWaalsContact NE1-O 3.12Å; W62-V67 HydrophobicContact CD2-CG2 4.31Å; W62-V67 HydrophobicContact CG-CG2 4.12Å; W62-F71 HydrophobicContact CH2-CD1 4.11Å; W62-F71 AromaticContact CH2-CE1 3.48Å; W62-F71 HydrophobicContact CH2-CE1 3.48Å; W62-F71 VanDerWaalsContact CH2-CE1 3.48Å; W62-F71 AromaticContact CH2-CZ 3.79Å; W62-F71 HydrophobicContact CH2-CZ 3.79Å; W62-F71 HydrophobicContact CZ2-CE1 4.2Å; W62-F71 HydrophobicContact CZ3-CE1 4.14Å; W62-F71 AromaticContact CZ3-CZ 3.99Å; W62-F71 HydrophobicContact CZ3-CZ 3.99Å; W62-I83 HydrophobicContact CB-CG2 3.68Å; W62-I83 HydrophobicContact CE3-CD1 4.2Å; W62-I83 HydrophobicContact CG-CG2 4.3Å; W62-D85 PolarHBondContact N-O 3.49Å
63	L	86	Confident	85.8	Confident	86 Å²	86	49.6 Å²	49.6	45%	0.45	25%	0.252	S	S	.	.			trans	-86.5	-21.9	-170.1	-66.7	174.9	0	0	0	114.6	S39 V40 N41 E61	S39-L63 WeakPolarHBondContact OG-CD1 3.37Å; S39-L63 WeakPolarHBondContact OG-CD2 3.22Å; S39-L63 WeakPolarHBondContact OG-CG 3.49Å; V40-L63 PolarHBondContact O-N 3.2Å; N41-L63 HydrophobicContact CB-CB 4.13Å; E61-L63 HydrophobicContact CG-CD2 4.15Å
64	D	86.4	Confident	85.7	Confident	44 Å²	44	47 Å²	47	24%	0.235	24%	0.242	C	C	.	.	S	Bend	trans	-77.7	148.3	-179.9	-65.4	-33.7	0	0	0	111.3	N41 S42 W62 R66	N41-D64 VanDerWaalsContact CB-OD1 3.31Å; N41-D64 WeakPolarHBondContact CB-OD1 3.34Å; S42-D64 WeakPolarHBondContact CB-OD2 3.32Å; S42-D64 PolarHBondContact N-OD2 2.84Å; S42-D64 PolarHBondContact OG-OD2 3.47Å; W62-D64 HydrophobicContact CZ2-CB 4.45Å; W62-D64 PolarHBondContact NE1-O 2.75Å; D64-R66 PolarHBondContact O-N 2.82Å; D64-R66 VanDerWaalsContact O-N 3.09Å
65	E	86.6	Confident	85.5	Confident	153 Å²	153	46.9 Å²	46.9	72%	0.715	24%	0.242	S	C	*	.	S	Bend	trans	-64.6	-12.9	177	-62.9	-176.4	169.6	0	0	113.5	A88 D89	E65-A88 WeakPolarHBondContact O-CA 3.43Å; E65-D89 PolarHBondContact O-N 2.83Å; E65-D89 VanDerWaalsContact O-N 3.11Å
66	R	86.3	Confident	85.1	Confident	128 Å²	128	47.5 Å²	47.5	48%	0.483	25%	0.249	S	C	.	.	S	Bend	trans	-140.5	142.5	-179.4	-57.6	-177.8	-173.4	168	4	109.4	W62 D64 I92	W62-R66 PolarHBondContact NE1-O 3.21Å; W62-R66 VanDerWaalsContact NE1-O 3.12Å; D64-R66 PolarHBondContact O-N 2.82Å; D64-R66 VanDerWaalsContact O-N 3.09Å; R66-I92 HydrophobicContact CB-CD1 4.3Å
67	V	86.2	Confident	84.9	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	106.1	169.4	-179.7	0	0	0	0	107.1	W62 L69 I83 A88 R90 L91 I92	W62-V67 HydrophobicContact CD2-CG2 4.31Å; W62-V67 HydrophobicContact CG-CG2 4.12Å; V67-L69 HydrophobicContact CG1-CD2 3.98Å; V67-I83 HydrophobicContact CG1-CD1 3.58Å; V67-I83 HydrophobicContact CG2-CD1 4.15Å; V67-A88 HydrophobicContact CG2-CB 3.83Å; V67-R90 PolarHBondContact N-O 2.97Å; V67-R90 VanDerWaalsContact N-O 3.09Å; V67-L91 HydrophobicContact CB-CD1 3.78Å; V67-L91 HydrophobicContact CG1-CD1 3.55Å; V67-L91 CarbonylContact O-C 3.4Å; V67-L91 WeakPolarHBondContact O-CA 3.29Å; V67-I92 PolarHBondContact O-N 2.97Å
68	N	87.1	Confident	84.9	Confident	68 Å²	68	53.5 Å²	53.5	36%	0.364	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	110.8	175.2	-178	-6.5	0	0	0	109.7	A70 F71 I92	N68-A70 PolarHBondContact O-N 3.48Å; N68-A70 VanDerWaalsContact OD1-CB 3.25Å; N68-A70 WeakPolarHBondContact OD1-CB 3.36Å; N68-A70 PolarHBondContact OD1-N 2.96Å; N68-F71 WeakPolarHBondContact O-CD1 3.34Å; N68-F71 WeakPolarHBondContact O-CE1 3.34Å; N68-I92 CarbonylContact C-O 3.51Å; N68-I92 WeakPolarHBondContact CA-O 3.39Å; N68-I92 HydrophobicContact CB-CB 4.19Å
69	L	85.1	Confident	85	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-69.1	-2.1	-177	-59.1	-177	0	0	0	114	V67 F71 L72 L81 L91 I92 V93 L120 F123	V67-L69 HydrophobicContact CG1-CD2 3.98Å; L69-F71 PolarHBondContact O-N 3.32Å; L69-L72 HydrophobicContact CB-CD1 4.01Å; L69-L72 HydrophobicContact CD2-CD1 3.53Å; L69-L72 HydrophobicContact CG-CD1 4.25Å; L69-L72 VanDerWaalsContact O-CB 3.25Å; L69-L72 WeakPolarHBondContact O-CB 3.43Å; L69-L72 PolarHBondContact O-N 2.89Å; L69-L81 HydrophobicContact CD2-CD2 4Å; L69-L91 HydrophobicContact CD1-CD1 4.12Å; L69-L91 HydrophobicContact CD1-CG 4.46Å; L69-L91 HydrophobicContact CD2-CD1 3.86Å; L69-L91 HydrophobicContact CG-CD1 3.84Å; L69-I92 PolarHBondContact N-O 3.23Å; L69-V93 HydrophobicContact CD1-CG2 4.1Å; L69-L120 HydrophobicContact CD1-CD1 3.79Å; L69-F123 HydrophobicContact CB-CE1 4.23Å; L69-F123 HydrophobicContact CB-CZ 4.27Å; L69-F123 HydrophobicContact CD1-CD1 4.33Å; L69-F123 HydrophobicContact CD1-CE1 4.23Å
70	A	81.7	Confident	85.2	Confident	38 Å²	38	54.4 Å²	54.4	31%	0.314	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-54.5	-34.1	176.5	0	0	0	0	0	113.7	N68 L72 S73 P94	N68-A70 PolarHBondContact O-N 3.48Å; N68-A70 VanDerWaalsContact OD1-CB 3.25Å; N68-A70 WeakPolarHBondContact OD1-CB 3.36Å; N68-A70 PolarHBondContact OD1-N 2.96Å; A70-L72 PolarHBondContact O-N 3.35Å; A70-S73 PolarHBondContact O-N 3.01Å; A70-S73 PolarHBondContact O-OG 3.49Å; A70-P94 HydrophobicContact CB-CB 4.27Å; A70-P94 HydrophobicContact CB-CG 4.4Å
71	F	77.2	Confident	85.3	Confident	15 Å²	15	50.6 Å²	50.6	7%	0.066	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-64	-19.9	176.8	73	-96.5	0	0	0	112.9	L45 N46 L57 W62 N68 L69 S73 F75	L45-F71 HydrophobicContact CD1-CE2 4.38Å; L45-F71 HydrophobicContact CD2-CE2 4.3Å; N46-F71 WeakPolarHBondContact OD1-CB 3.49Å; L57-F71 HydrophobicContact CD2-CE2 4.48Å; W62-F71 HydrophobicContact CH2-CD1 4.11Å; W62-F71 AromaticContact CH2-CE1 3.48Å; W62-F71 HydrophobicContact CH2-CE1 3.48Å; W62-F71 VanDerWaalsContact CH2-CE1 3.48Å; W62-F71 AromaticContact CH2-CZ 3.79Å; W62-F71 HydrophobicContact CH2-CZ 3.79Å; W62-F71 HydrophobicContact CZ2-CE1 4.2Å; W62-F71 HydrophobicContact CZ3-CE1 4.14Å; W62-F71 AromaticContact CZ3-CZ 3.99Å; W62-F71 HydrophobicContact CZ3-CZ 3.99Å; N68-F71 WeakPolarHBondContact O-CD1 3.34Å; N68-F71 WeakPolarHBondContact O-CE1 3.34Å; L69-F71 PolarHBondContact O-N 3.32Å; F71-S73 VanDerWaalsContact C-N 3.27Å; F71-S73 PolarHBondContact O-N 3.44Å; F71-F75 HydrophobicContact CD2-CE2 4.1Å; F71-F75 WeakPolarHBondContact O-CE2 3.29Å
72	L	78.5	Confident	85.6	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-74.8	-16.9	-178.3	-64.3	173.9	0	0	0	113.5	L69 A70 N74 F75 L78 L81 L99 F123	L69-L72 HydrophobicContact CB-CD1 4.01Å; L69-L72 HydrophobicContact CD2-CD1 3.53Å; L69-L72 HydrophobicContact CG-CD1 4.25Å; L69-L72 VanDerWaalsContact O-CB 3.25Å; L69-L72 WeakPolarHBondContact O-CB 3.43Å; L69-L72 PolarHBondContact O-N 2.89Å; A70-L72 PolarHBondContact O-N 3.35Å; L72-N74 PolarHBondContact O-N 2.91Å; L72-F75 HydrophobicContact CD2-CD2 4.18Å; L72-F75 PolarHBondContact O-N 3.15Å; L72-L78 HydrophobicContact CD2-CD2 3.62Å; L72-L81 HydrophobicContact CD1-CD2 3.48Å; L72-L81 VanDerWaalsContact CD1-CD2 3.48Å; L72-L81 HydrophobicContact CD2-CD1 4.37Å; L72-L81 HydrophobicContact CD2-CD2 4.33Å; L72-L99 HydrophobicContact CB-CD1 4.23Å; L72-L99 WeakPolarHBondContact O-CD1 3.5Å; L72-F123 HydrophobicContact CB-CZ 4.24Å
73	S	72.1	Confident	85.7	Confident	68 Å²	68	47 Å²	47	48%	0.476	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-55.6	-24.2	-178.3	52.7	0	0	0	0	113.8	A70 F71	A70-S73 PolarHBondContact O-N 3.01Å; A70-S73 PolarHBondContact O-OG 3.49Å; F71-S73 VanDerWaalsContact C-N 3.27Å; F71-S73 PolarHBondContact O-N 3.44Å
74	N	74.7	Confident	85.9	Confident	80 Å²	80	45.9 Å²	45.9	43%	0.428	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-86.1	-9.1	177.3	-66.5	8.9	0	0	0	113.8	S49 L72 S76	S49-N74 WeakPolarHBondContact CB-ND2 3.45Å; L72-N74 PolarHBondContact O-N 2.91Å; N74-S76 PolarHBondContact O-N 2.82Å
75	F	81.3	Confident	85.8	Confident	2 Å²	2	48.1 Å²	48.1	1%	0.009	25%	0.251	C	S	.	.			trans	-99.2	69.7	-177.3	-61.1	-85.7	0	0	0	111.3	L45 L48 V54 F71 L72 R77 L78	L45-F75 HydrophobicContact CD2-CZ 4.44Å; L48-F75 HydrophobicContact CB-CZ 4.44Å; V54-F75 HydrophobicContact CB-CD1 3.78Å; V54-F75 HydrophobicContact CB-CE1 4.21Å; V54-F75 HydrophobicContact CG1-CD1 4.35Å; V54-F75 HydrophobicContact CG2-CD1 3.89Å; V54-F75 HydrophobicContact CG2-CE1 3.82Å; F71-F75 HydrophobicContact CD2-CE2 4.1Å; F71-F75 WeakPolarHBondContact O-CE2 3.29Å; L72-F75 HydrophobicContact CD2-CD2 4.18Å; L72-F75 PolarHBondContact O-N 3.15Å; F75-R77 PolarHBondContact O-N 3.4Å; F75-L78 HydrophobicContact CB-CB 3.84Å; F75-L78 HydrophobicContact CB-CD2 4.44Å; F75-L78 WeakPolarHBondContact O-CB 3.26Å; F75-L78 PolarHBondContact O-N 2.93Å
76	S	82.3	Confident	85.6	Confident	70 Å²	70	41 Å²	41	49%	0.49	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-24.4	-172.5	61.1	0	0	0	0	115.3	D52 N74 S101	D52-S76 PolarHBondContact OD1-OG 3.4Å; D52-S76 VanDerWaalsContact OD1-OG 3.04Å; N74-S76 PolarHBondContact O-N 2.82Å; S76-S101 PolarHBondContact O-OG 3.11Å
77	R	87.6	Confident	85	Confident	165 Å²	165	43.7 Å²	43.7	62%	0.623	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.3	1.9	-179.8	-62.9	-171	176	-178.7	-0.5	114.3	D52 V54 F75 S79	D52-R77 WeakPolarHBondContact O-CD 3.36Å; V54-R77 CarbonylContact O-C 3.09Å; F75-R77 PolarHBondContact O-N 3.4Å; R77-S79 PolarHBondContact O-N 2.87Å; R77-S79 VanDerWaalsContact O-N 3.13Å
78	L	91	Very high	84.9	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.233	C	C	.	.			trans	-66.9	117.5	-174.1	-173.2	73.2	0	0	0	110.4	V54 L57 L72 F75 S80 L81 L99 S101 L102	V54-L78 HydrophobicContact CG1-CD1 3.89Å; V54-L78 WeakPolarHBondContact O-CA 3.47Å; V54-L78 PolarHBondContact O-N 3.34Å; L57-L78 HydrophobicContact CB-CD1 3.69Å; L72-L78 HydrophobicContact CD2-CD2 3.62Å; F75-L78 HydrophobicContact CB-CB 3.84Å; F75-L78 HydrophobicContact CB-CD2 4.44Å; F75-L78 WeakPolarHBondContact O-CB 3.26Å; F75-L78 PolarHBondContact O-N 2.93Å; L78-S80 WeakPolarHBondContact CD1-O 3.45Å; L78-L81 HydrophobicContact CD2-CB 4.24Å; L78-L99 HydrophobicContact CB-CD2 3.99Å; L78-L99 HydrophobicContact CD2-CD2 4.13Å; L78-L99 HydrophobicContact CG-CD2 4.43Å; L78-S101 CarbonylContact O-C 3.44Å; L78-S101 VanDerWaalsContact O-C 3.25Å; L78-S101 WeakPolarHBondContact O-CB 3.39Å; L78-S101 PolarHBondContact O-OG 2.91Å; L78-L102 HydrophobicContact CD2-CD1 4.11Å; L78-L102 HydrophobicContact CG-CD1 4.07Å; L78-L102 WeakPolarHBondContact O-CA 3.5Å; L78-L102 PolarHBondContact O-N 3.15Å
79	S	94.1	Very high	84.7	Confident	31 Å²	31	43.6 Å²	43.6	22%	0.217	23%	0.232	C	C	.	.			trans	-103	-24.9	-179	69.1	0	0	0	0	113.1	V55 R77 S101 L103 R104	V55-S79 WeakPolarHBondContact CG1-OG 3.26Å; V55-S79 PolarHBondContact O-N 3.05Å; V55-S79 PolarHBondContact O-OG 3.02Å; R77-S79 PolarHBondContact O-N 2.87Å; R77-S79 VanDerWaalsContact O-N 3.13Å; S79-S101 WeakPolarHBondContact CA-O 3.48Å; S79-L103 PolarHBondContact O-N 2.97Å; S79-R104 PolarHBondContact O-N 3.35Å
80	S	95.6	Very high	84.7	Confident	23 Å²	23	49.2 Å²	49.2	16%	0.161	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	123.3	-177.3	-176.6	0	0	0	0	110.7	V55 V56 L57 L78 R104	V55-S80 PolarHBondContact O-N 3.44Å; V56-S80 WeakPolarHBondContact CA-O 3.47Å; L57-S80 PolarHBondContact N-O 2.88Å; L78-S80 WeakPolarHBondContact CD1-O 3.45Å; S80-R104 WeakPolarHBondContact CA-O 3.49Å
81	L	93.9	Very high	84.9	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	130.9	171.4	179.1	66.5	0	0	0	109.8	L57 L69 L72 L78 L102 R104 L105 T106	L57-L81 HydrophobicContact CB-CD1 4.1Å; L57-L81 HydrophobicContact CD2-CD1 3.87Å; L57-L81 HydrophobicContact CG-CD1 4.06Å; L57-L81 CarbonylContact O-C 3.57Å; L57-L81 WeakPolarHBondContact O-CA 3.49Å; L69-L81 HydrophobicContact CD2-CD2 4Å; L72-L81 HydrophobicContact CD1-CD2 3.48Å; L72-L81 VanDerWaalsContact CD1-CD2 3.48Å; L72-L81 HydrophobicContact CD2-CD1 4.37Å; L72-L81 HydrophobicContact CD2-CD2 4.33Å; L78-L81 HydrophobicContact CD2-CB 4.24Å; L81-L102 HydrophobicContact CB-CD1 4.11Å; L81-R104 PolarHBondContact N-O 2.92Å; L81-L105 HydrophobicContact CB-CD1 4.15Å; L81-L105 HydrophobicContact CD2-CD1 3.72Å; L81-L105 HydrophobicContact CG-CD1 4.19Å; L81-L105 CarbonylContact O-C 3.53Å; L81-L105 WeakPolarHBondContact O-CA 3.46Å; L81-T106 PolarHBondContact O-N 3.42Å
82	S	94.4	Very high	85.4	Confident	15 Å²	15	50.1 Å²	50.1	11%	0.105	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	128.2	174	-171.9	0	0	0	0	111.1	L57 E58 I59 L84 T106	L57-S82 PolarHBondContact O-N 2.99Å; E58-S82 CarbonylContact C-O 3.6Å; E58-S82 WeakPolarHBondContact CA-O 3.47Å; I59-S82 PolarHBondContact N-O 3.43Å; S82-L84 VanDerWaalsContact OG-CD2 3.28Å; S82-L84 WeakPolarHBondContact OG-CD2 3.42Å; S82-T106 CarbonylContact C-O 3.59Å; S82-T106 WeakPolarHBondContact CA-O 3.32Å
83	I	92.3	Very high	85.8	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	107.3	173.2	-60.5	174.1	0	0	0	106.3	I59 W62 V67 T106 V107 T108	I59-I83 HydrophobicContact CB-CG1 4.39Å; I59-I83 HydrophobicContact CD1-CG1 4.26Å; I59-I83 WeakPolarHBondContact O-CA 3.43Å; W62-I83 HydrophobicContact CB-CG2 3.68Å; W62-I83 HydrophobicContact CE3-CD1 4.2Å; W62-I83 HydrophobicContact CG-CG2 4.3Å; V67-I83 HydrophobicContact CG1-CD1 3.58Å; V67-I83 HydrophobicContact CG2-CD1 4.15Å; I83-T106 PolarHBondContact N-O 3.31Å; I83-V107 HydrophobicContact CB-CG1 4.21Å; I83-V107 HydrophobicContact CG2-CG1 4.4Å; I83-V107 CarbonylContact O-C 3.58Å; I83-V107 VanDerWaalsContact O-CA 3.28Å; I83-V107 WeakPolarHBondContact O-CA 3.41Å; I83-T108 PolarHBondContact O-N 2.94Å
84	L	89.4	Confident	86.4	Confident	64 Å²	64	48.7 Å²	48.7	34%	0.335	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	-44.4	-165.3	-64	178.4	0	0	0	114.3	I59 S82 T106 T108	I59-L84 PolarHBondContact O-N 2.93Å; S82-L84 VanDerWaalsContact OG-CD2 3.28Å; S82-L84 WeakPolarHBondContact OG-CD2 3.42Å; L84-T106 HydrophobicContact CD2-CG2 4.22Å; L84-T108 CarbonylContact C-O 3.54Å; L84-T108 WeakPolarHBondContact CA-OG1 3.38Å; L84-T108 CarbonylContact O-C 3.59Å; L84-T108 PolarHBondContact O-OG1 2.94Å
85	D	85.5	Confident	86.7	Confident	91 Å²	91	49.7 Å²	49.7	49%	0.487	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	124.8	175.3	-165.6	5.9	0	0	0	108.3	H60 E61 W62	H60-D85 WeakPolarHBondContact O-CA 3.25Å; H60-D85 WeakPolarHBondContact O-CB 3.38Å; H60-D85 PolarHBondContact O-N 3.45Å; E61-D85 CarbonylContact C-O 3.11Å; E61-D85 WeakPolarHBondContact CA-O 3.34Å; W62-D85 PolarHBondContact N-O 3.49Å
86	S	80.9	Confident	86.6	Confident	2 Å²	2	57.4 Å²	57.4	1%	0.014	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	139.1	-177.4	-174.9	0	0	0	0	107.8	A88 G109 A110	S86-A88 WeakPolarHBondContact OG-CB 3.3Å; S86-A88 PolarHBondContact OG-N 3.29Å; S86-A88 VanDerWaalsContact OG-N 3.1Å; S86-G109 CarbonylContact O-C 3.59Å; S86-G109 VanDerWaalsContact O-C 3.31Å; S86-A110 WeakPolarHBondContact O-CA 3.38Å; S86-A110 PolarHBondContact O-N 3.34Å
87	K	74.8	Confident	86.4	Confident	186 Å²	186	55 Å²	55	81%	0.809	28%	0.281	S	S	*	.			trans	-88.7	10.2	166.7	-67.5	-176.4	-177.5	172.3	0	112
88	A	82.8	Confident	86.3	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.274	C	S	.	.			trans	-65.8	139.4	-174.7	0	0	0	0	0	112	E65 V67 S86 A110 G111	E65-A88 WeakPolarHBondContact O-CA 3.43Å; V67-A88 HydrophobicContact CG2-CB 3.83Å; S86-A88 WeakPolarHBondContact OG-CB 3.3Å; S86-A88 PolarHBondContact OG-N 3.29Å; S86-A88 VanDerWaalsContact OG-N 3.1Å; A88-A110 HydrophobicContact CB-CB 4.46Å; A88-A110 CarbonylContact O-C 3.41Å; A88-A110 WeakPolarHBondContact O-CB 3.23Å; A88-G111 PolarHBondContact O-N 2.93Å
89	D	84.6	Confident	86.1	Confident	65 Å²	65	50.6 Å²	50.6	35%	0.348	28%	0.275	S	S	.	.	S	Bend	trans	-93.9	-15.6	178.9	73.3	-24.2	0	0	0	112.8	E65 M112	E65-D89 PolarHBondContact O-N 2.83Å; E65-D89 VanDerWaalsContact O-N 3.11Å; D89-M112 WeakPolarHBondContact O-CA 3.45Å
90	R	83.5	Confident	85.8	Confident	118 Å²	118	52.7 Å²	52.7	45%	0.445	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	145.8	-174.4	-63.7	179.7	-174.2	-153.9	-5.6	112.9	V67	V67-R90 PolarHBondContact N-O 2.97Å; V67-R90 VanDerWaalsContact N-O 3.09Å
91	L	87.1	Confident	85.6	Confident	9 Å²	9	53.2 Å²	53.2	5%	0.047	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	116.2	165.1	-175.2	65.4	0	0	0	109	V67 L69 M112 T115 L120	V67-L91 HydrophobicContact CB-CD1 3.78Å; V67-L91 HydrophobicContact CG1-CD1 3.55Å; V67-L91 CarbonylContact O-C 3.4Å; V67-L91 WeakPolarHBondContact O-CA 3.29Å; L69-L91 HydrophobicContact CD1-CD1 4.12Å; L69-L91 HydrophobicContact CD1-CG 4.46Å; L69-L91 HydrophobicContact CD2-CD1 3.86Å; L69-L91 HydrophobicContact CG-CD1 3.84Å; L91-M112 HydrophobicContact CB-SD 3.79Å; L91-T115 HydrophobicContact CB-CG2 4.4Å; L91-T115 WeakPolarHBondContact CB-OG1 3.28Å; L91-T115 HydrophobicContact CD2-CG2 4.05Å; L91-L120 HydrophobicContact CD2-CD2 4.16Å
92	I	87.4	Confident	85.6	Confident	63 Å²	63	53.2 Å²	53.2	32%	0.323	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	125	177.1	-60.9	171.7	0	0	0	107.9	R66 V67 N68 L69	R66-I92 HydrophobicContact CB-CD1 4.3Å; V67-I92 PolarHBondContact O-N 2.97Å; N68-I92 CarbonylContact C-O 3.51Å; N68-I92 WeakPolarHBondContact CA-O 3.39Å; N68-I92 HydrophobicContact CB-CB 4.19Å; L69-I92 PolarHBondContact N-O 3.23Å
93	V	87.7	Confident	85.7	Confident	17 Å²	17	55.9 Å²	55.9	10%	0.103	30%	0.304	C	S	.	.			trans	-108.9	129.3	176.4	-170.6	0	0	0	0	108.3	L69 T119 L120 F123	L69-V93 HydrophobicContact CD1-CG2 4.1Å; V93-T119 HydrophobicContact CB-CG2 3.87Å; V93-T119 HydrophobicContact CG1-CG2 3.85Å; V93-L120 HydrophobicContact CG2-CB 3.98Å; V93-L120 HydrophobicContact CG2-CD1 3.91Å; V93-L120 HydrophobicContact CG2-CG 4.49Å; V93-F123 HydrophobicContact CG1-CB 3.37Å; V93-F123 HydrophobicContact CG1-CD1 4.19Å; V93-F123 HydrophobicContact CG1-CD2 4.09Å; V93-F123 HydrophobicContact CG1-CG 3.63Å
94	P	84.7	Confident	85.9	Confident	22 Å²	22	62.4 Å²	62.4	14%	0.143	33%	0.328	C	S	.	.			trans	-68.8	134.1	176.9	30.3	-36.1	0	0	0	110.3	A70 F123	A70-P94 HydrophobicContact CB-CB 4.27Å; A70-P94 HydrophobicContact CB-CG 4.4Å; P94-F123 HydrophobicContact CG-CD2 3.69Å; P94-F123 HydrophobicContact CG-CE2 3.51Å; P94-F123 HydrophobicContact CG-CZ 4.44Å
95	P	79.3	Confident	86.2	Confident	101 Å²	101	59.3 Å²	59.3	66%	0.656	31%	0.312	S	S	*	.	S	Bend	trans	-69.3	-34.2	-178.4	25.5	-32.9	0	0	0	113.5
96	D	80.2	Confident	86.6	Confident	163 Å²	163	56.3 Å²	56.3	87%	0.872	30%	0.297	S	S	*	.	S	Bend	trans	-95.7	-2.4	-174.2	-54	-38.5	0	0	0	113.5
97	G	77.5	Confident	87.2	Confident	20 Å²	20	56.2 Å²	56.2	21%	0.206	30%	0.297	C	S	.	.			trans	-89.1	153.2	-178.8	0	0	0	0	0	112.7	F123	G97-F123 VanDerWaalsContact O-CD2 3.31Å; G97-F123 WeakPolarHBondContact O-CD2 3.25Å
98	S	84.9	Confident	88	Confident	69 Å²	69	48 Å²	48	48%	0.483	26%	0.262	S	S	.	.			trans	-141.8	135.4	168	-170.6	0	0	0	0	111	F123	S98-F123 CarbonylContact C-O 3.6Å; S98-F123 WeakPolarHBondContact CA-O 3.42Å; S98-F123 PolarHBondContact OG-O 3.48Å
99	L	88.1	Confident	88.1	Confident	4 Å²	4	49.6 Å²	49.6	2%	0.021	28%	0.278	C	S	.	.			trans	-124	74.2	173.5	-150.6	97.2	0	0	0	109.6	L72 L78 S101 L102 F123	L72-L99 HydrophobicContact CB-CD1 4.23Å; L72-L99 WeakPolarHBondContact O-CD1 3.5Å; L78-L99 HydrophobicContact CB-CD2 3.99Å; L78-L99 HydrophobicContact CD2-CD2 4.13Å; L78-L99 HydrophobicContact CG-CD2 4.43Å; L99-S101 PolarHBondContact O-N 3.04Å; L99-L102 HydrophobicContact CB-CB 4.48Å; L99-L102 HydrophobicContact CD2-CB 3.62Å; L99-L102 HydrophobicContact CD2-CD1 3.85Å; L99-L102 HydrophobicContact CD2-CD2 4.26Å; L99-L102 HydrophobicContact CD2-CG 4.1Å; L99-L102 HydrophobicContact CG-CB 4.46Å; L99-L102 WeakPolarHBondContact O-CB 3.42Å; L99-L102 PolarHBondContact O-N 3.46Å; L99-L102 VanDerWaalsContact O-N 3.13Å; L99-F123 HydrophobicContact CB-CD1 4.42Å; L99-F123 HydrophobicContact CB-CE1 3.77Å; L99-F123 HydrophobicContact CB-CZ 3.85Å; L99-F123 PolarHBondContact N-O 3.06Å
100	P	87.7	Confident	87.6	Confident	75 Å²	75	46.6 Å²	46.6	49%	0.487	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-16.2	-174.7	29	-35.9	0	0	0	113.2	L102 P125 S126	P100-L102 VanDerWaalsContact C-N 3.3Å; P100-P125 HydrophobicContact CB-CG 4.47Å; P100-S126 WeakPolarHBondContact O-CB 3.35Å; P100-S126 PolarHBondContact O-OG 3.21Å
101	S	90.9	Very high	87.5	Confident	33 Å²	33	43.5 Å²	43.5	23%	0.231	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-20.3	174.9	58.3	0	0	0	0	113.2	S76 L78 S79 L99 L103	S76-S101 PolarHBondContact O-OG 3.11Å; L78-S101 CarbonylContact O-C 3.44Å; L78-S101 VanDerWaalsContact O-C 3.25Å; L78-S101 WeakPolarHBondContact O-CB 3.39Å; L78-S101 PolarHBondContact O-OG 2.91Å; S79-S101 WeakPolarHBondContact CA-O 3.48Å; L99-S101 PolarHBondContact O-N 3.04Å; S101-L103 PolarHBondContact O-N 3.26Å
102	L	93.7	Very high	87.4	Confident	0 Å²	0	43 Å²	43	0%	0	27%	0.265	C	S	.	.			trans	-72	116.3	-173.3	-158.9	66.9	0	0	0	111.2	L78 L81 L99 P100 L105 A124 S126 L127	L78-L102 HydrophobicContact CD2-CD1 4.11Å; L78-L102 HydrophobicContact CG-CD1 4.07Å; L78-L102 WeakPolarHBondContact O-CA 3.5Å; L78-L102 PolarHBondContact O-N 3.15Å; L81-L102 HydrophobicContact CB-CD1 4.11Å; L99-L102 HydrophobicContact CB-CB 4.48Å; L99-L102 HydrophobicContact CD2-CB 3.62Å; L99-L102 HydrophobicContact CD2-CD1 3.85Å; L99-L102 HydrophobicContact CD2-CD2 4.26Å; L99-L102 HydrophobicContact CD2-CG 4.1Å; L99-L102 HydrophobicContact CG-CB 4.46Å; L99-L102 WeakPolarHBondContact O-CB 3.42Å; L99-L102 PolarHBondContact O-N 3.46Å; L99-L102 VanDerWaalsContact O-N 3.13Å; P100-L102 VanDerWaalsContact C-N 3.3Å; L102-L105 HydrophobicContact CD2-CB 4.47Å; L102-A124 HydrophobicContact CB-CB 4.08Å; L102-A124 HydrophobicContact CD2-CB 4.02Å; L102-S126 CarbonylContact O-C 3.08Å; L102-L127 HydrophobicContact CD2-CD2 4.13Å; L102-L127 HydrophobicContact CG-CD2 4.07Å; L102-L127 PolarHBondContact O-N 3.42Å
103	L	96.4	Very high	87.3	Confident	71 Å²	71	42.5 Å²	42.5	37%	0.372	27%	0.267	S	S	.	.			trans	-104.3	-28.1	178.3	-58	-178.8	0	0	0	112.2	S79 S101 S126 L128 S129	S79-L103 PolarHBondContact O-N 2.97Å; S101-L103 PolarHBondContact O-N 3.26Å; L103-S126 WeakPolarHBondContact CD2-O 3.46Å; L103-L128 HydrophobicContact CD2-CD1 4.44Å; L103-L128 PolarHBondContact O-N 2.96Å; L103-S129 PolarHBondContact O-N 3.46Å; L103-S129 VanDerWaalsContact O-N 3.07Å
104	R	97	Very high	86.8	Confident	137 Å²	137	47.6 Å²	47.6	52%	0.517	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	131.7	-176.7	-53.8	-172.8	-177.6	-120.1	1.8	111.5	S79 S80 L81 S129	S79-R104 PolarHBondContact O-N 3.35Å; S80-R104 WeakPolarHBondContact CA-O 3.49Å; L81-R104 PolarHBondContact N-O 2.92Å; R104-S129 WeakPolarHBondContact CA-O 3.35Å
105	L	95.1	Very high	86.8	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	120.8	173.7	176.3	64.8	0	0	0	109.6	L81 L102 V107 L120 L127 S129 V130 N131	L81-L105 HydrophobicContact CB-CD1 4.15Å; L81-L105 HydrophobicContact CD2-CD1 3.72Å; L81-L105 HydrophobicContact CG-CD1 4.19Å; L81-L105 CarbonylContact O-C 3.53Å; L81-L105 WeakPolarHBondContact O-CA 3.46Å; L102-L105 HydrophobicContact CD2-CB 4.47Å; L105-V107 HydrophobicContact CD1-CG2 3.85Å; L105-V107 HydrophobicContact CG-CG2 4.24Å; L105-L120 HydrophobicContact CD2-CD1 3.94Å; L105-L120 HydrophobicContact CD2-CD2 3.85Å; L105-L120 HydrophobicContact CD2-CG 4.41Å; L105-L127 HydrophobicContact CB-CD2 3.84Å; L105-S129 PolarHBondContact N-O 3.5Å; L105-V130 CarbonylContact O-C 3.38Å; L105-V130 WeakPolarHBondContact O-CA 3.33Å; L105-N131 PolarHBondContact O-N 3.01Å
106	T	95	Very high	87.2	Confident	28 Å²	28	47 Å²	47	17%	0.172	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	123.6	172.8	-60.9	0	0	0	0	108.7	L81 S82 I83 L84 T108 N131	L81-T106 PolarHBondContact O-N 3.42Å; S82-T106 CarbonylContact C-O 3.59Å; S82-T106 WeakPolarHBondContact CA-O 3.32Å; I83-T106 PolarHBondContact N-O 3.31Å; L84-T106 HydrophobicContact CD2-CG2 4.22Å; T106-T108 HydrophobicContact CG2-CG2 3.87Å; T106-N131 CarbonylContact C-O 3.56Å; T106-N131 VanDerWaalsContact CA-O 3.3Å; T106-N131 WeakPolarHBondContact CA-O 3.4Å; T106-N131 HydrophobicContact CG2-CB 4.02Å
107	V	92.6	Very high	87.7	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	104.8	170.9	-169.6	0	0	0	0	108.2	I83 L105 M112 N131 L132 N135	I83-V107 HydrophobicContact CB-CG1 4.21Å; I83-V107 HydrophobicContact CG2-CG1 4.4Å; I83-V107 CarbonylContact O-C 3.58Å; I83-V107 VanDerWaalsContact O-CA 3.28Å; I83-V107 WeakPolarHBondContact O-CA 3.41Å; L105-V107 HydrophobicContact CD1-CG2 3.85Å; L105-V107 HydrophobicContact CG-CG2 4.24Å; V107-M112 HydrophobicContact CB-CE 3.76Å; V107-M112 HydrophobicContact CG1-CE 3.28Å; V107-M112 HydrophobicContact CG1-SD 4Å; V107-N131 PolarHBondContact N-O 3.47Å; V107-L132 HydrophobicContact CB-CD2 3.92Å; V107-L132 HydrophobicContact CG2-CD2 4.41Å; V107-L132 WeakPolarHBondContact O-CA 3.43Å; V107-N135 PolarHBondContact O-ND2 3.3Å
108	T	92.1	Very high	88.2	Confident	14 Å²	14	41.4 Å²	41.4	9%	0.086	25%	0.252	C	S	.	.			trans	-122.5	165.4	-175.3	63.1	0	0	0	0	111.8	I83 L84 T106 A110 S133	I83-T108 PolarHBondContact O-N 2.94Å; L84-T108 CarbonylContact C-O 3.54Å; L84-T108 WeakPolarHBondContact CA-OG1 3.38Å; L84-T108 CarbonylContact O-C 3.59Å; L84-T108 PolarHBondContact O-OG1 2.94Å; T106-T108 HydrophobicContact CG2-CG2 3.87Å; T108-A110 PolarHBondContact O-N 2.89Å; T108-S133 VanDerWaalsContact CA-O 3.28Å; T108-S133 WeakPolarHBondContact CA-O 3.42Å; T108-S133 VanDerWaalsContact CB-O 3.3Å; T108-S133 WeakPolarHBondContact CB-O 3.08Å; T108-S133 WeakPolarHBondContact CG2-O 3.11Å; T108-S133 VanDerWaalsContact CG2-OG 3.26Å; T108-S133 WeakPolarHBondContact CG2-OG 3.43Å
109	G	83.8	Confident	88.5	Confident	32 Å²	32	39.6 Å²	39.6	33%	0.33	24%	0.238	S	C	.	.	S	Bend	trans	72.8	-3.3	175.4	0	0	0	0	0	114.8	S86 R134	S86-G109 CarbonylContact O-C 3.59Å; S86-G109 VanDerWaalsContact O-C 3.31Å; G109-R134 WeakPolarHBondContact CA-O 3.39Å; G109-R134 PolarHBondContact N-O 3.49Å
110	A	75.9	Confident	88.6	Confident	3 Å²	3	39.4 Å²	39.4	3%	0.025	24%	0.237	C	C	.	.			trans	-80.6	144.3	-178.6	0	0	0	0	0	110.8	S86 A88 T108 M112 N135	S86-A110 WeakPolarHBondContact O-CA 3.38Å; S86-A110 PolarHBondContact O-N 3.34Å; A88-A110 HydrophobicContact CB-CB 4.46Å; A88-A110 CarbonylContact O-C 3.41Å; A88-A110 WeakPolarHBondContact O-CB 3.23Å; T108-A110 PolarHBondContact O-N 2.89Å; A110-M112 HydrophobicContact CB-CB 4.2Å; A110-M112 HydrophobicContact CB-CE 3.75Å; A110-M112 HydrophobicContact CB-CG 3.54Å; A110-M112 HydrophobicContact CB-SD 3.96Å; A110-M112 PolarHBondContact O-N 2.96Å; A110-N135 VanDerWaalsContact CA-OD1 3.32Å; A110-N135 WeakPolarHBondContact CA-OD1 3.49Å; A110-N135 WeakPolarHBondContact CB-OD1 3.39Å; A110-N135 PolarHBondContact N-OD1 3.38Å; A110-N135 VanDerWaalsContact N-OD1 3.09Å; A110-N135 VanDerWaalsContact O-CA 3.25Å; A110-N135 WeakPolarHBondContact O-CA 3.47Å; A110-N135 PolarHBondContact O-OD1 3.15Å
111	G	81	Confident	88.7	Confident	52 Å²	52	36.6 Å²	36.6	54%	0.536	22%	0.219	S	C	.	.			trans	-66.4	19.1	170.9	0	0	0	0	0	113.5	A88 S113	A88-G111 PolarHBondContact O-N 2.93Å; G111-S113 PolarHBondContact O-N 3.46Å
112	M	84.3	Confident	88.7	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	23%	0.232	C	C	.	.			trans	-62.7	116.3	-168.1	-76	-175	-47	0	0	111.7	D89 L91 V107 A110 L132 N135 G136 F137	D89-M112 WeakPolarHBondContact O-CA 3.45Å; L91-M112 HydrophobicContact CB-SD 3.79Å; V107-M112 HydrophobicContact CB-CE 3.76Å; V107-M112 HydrophobicContact CG1-CE 3.28Å; V107-M112 HydrophobicContact CG1-SD 4Å; A110-M112 HydrophobicContact CB-CB 4.2Å; A110-M112 HydrophobicContact CB-CE 3.75Å; A110-M112 HydrophobicContact CB-CG 3.54Å; A110-M112 HydrophobicContact CB-SD 3.96Å; A110-M112 PolarHBondContact O-N 2.96Å; M112-L132 HydrophobicContact CE-CD2 4.29Å; M112-N135 HydrophobicContact CB-CB 4.25Å; M112-N135 VanDerWaalsContact CE-OD1 3.28Å; M112-N135 WeakPolarHBondContact CE-OD1 3.43Å; M112-G136 CarbonylContact O-C 2.91Å; M112-G136 WeakPolarHBondContact O-CA 3.4Å; M112-G136 PolarHBondContact O-N 3.42Å; M112-F137 HydrophobicContact CB-CE2 4.17Å; M112-F137 HydrophobicContact CB-CZ 4.05Å; M112-F137 HydrophobicContact CE-CE2 4.46Å; M112-F137 PolarHBondContact O-N 3.31Å
113	S	85	Confident	88.5	Confident	52 Å²	52	38.5 Å²	38.5	36%	0.364	23%	0.232	S	C	.	.			trans	-106.7	-19.6	178.5	54.5	0	0	0	0	112.9	G111	G111-S113 PolarHBondContact O-N 3.46Å
114	Q	78	Confident	88.2	Confident	123 Å²	123	35.1 Å²	35.1	58%	0.575	22%	0.215	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-142.8	142.8	-173.9	-65	-179	-5	0	0	110.8
115	T	84.1	Confident	87.9	Confident	22 Å²	22	32 Å²	32	14%	0.135	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155	139.1	174.5	-73.7	0	0	0	0	107.6	L91 F117 L120	L91-T115 HydrophobicContact CB-CG2 4.4Å; L91-T115 WeakPolarHBondContact CB-OG1 3.28Å; L91-T115 HydrophobicContact CD2-CG2 4.05Å; T115-F117 HydrophobicContact CG2-CD1 4.12Å; T115-F117 HydrophobicContact CG2-CE1 4.11Å; T115-F117 HydrophobicContact CG2-CG 4.41Å; T115-F117 HydrophobicContact CG2-CZ 4.39Å; T115-F117 WeakPolarHBondContact O-CD2 3.34Å; T115-F117 PolarHBondContact O-N 3.41Å; T115-L120 HydrophobicContact CG2-CD2 4.37Å
116	D	88.7	Confident	87.8	Confident	88 Å²	88	34.2 Å²	34.2	47%	0.471	23%	0.228	S	C	.	.			trans	-82.3	93.4	169.1	-174.8	-4.4	0	0	0	109.8	A118 T119 L120	D116-A118 VanDerWaalsContact C-N 3.26Å; D116-A118 PolarHBondContact O-N 2.84Å; D116-A118 WeakPolarHBondContact OD1-CB 3.44Å; D116-A118 PolarHBondContact OD1-N 3.46Å; D116-T119 VanDerWaalsContact CG-OG1 3.24Å; D116-T119 PolarHBondContact O-N 2.9Å; D116-T119 PolarHBondContact OD1-N 3.37Å; D116-T119 WeakPolarHBondContact OD2-CB 3.39Å; D116-T119 PolarHBondContact OD2-OG1 2.89Å; D116-L120 WeakPolarHBondContact O-CB 3.49Å; D116-L120 PolarHBondContact O-N 2.91Å
117	F	90	Very high	87.8	Confident	15 Å²	15	33 Å²	33	7%	0.066	22%	0.22	C	C	.	.	H	α-helix	trans	-66.5	-25.3	179.5	-69.6	-70.2	0	0	0	113.3	T115 S121 L132 F137 A140 N141 L142 T144 F145	T115-F117 HydrophobicContact CG2-CD1 4.12Å; T115-F117 HydrophobicContact CG2-CE1 4.11Å; T115-F117 HydrophobicContact CG2-CG 4.41Å; T115-F117 HydrophobicContact CG2-CZ 4.39Å; T115-F117 WeakPolarHBondContact O-CD2 3.34Å; T115-F117 PolarHBondContact O-N 3.41Å; F117-S121 WeakPolarHBondContact O-CB 3.49Å; F117-S121 PolarHBondContact O-N 3.15Å; F117-L132 HydrophobicContact CE1-CD1 3.61Å; F117-L132 HydrophobicContact CZ-CD1 4.12Å; F117-F137 HydrophobicContact CE2-CE1 4.38Å; F117-F137 HydrophobicContact CZ-CD1 4.38Å; F117-F137 AromaticContact CZ-CE1 3.97Å; F117-F137 HydrophobicContact CZ-CE1 3.97Å; F117-F137 HydrophobicContact CZ-CZ 4.32Å; F117-A140 HydrophobicContact CD2-CB 4.49Å; F117-A140 HydrophobicContact CE2-CB 3.67Å; F117-A140 HydrophobicContact CZ-CB 3.9Å; F117-N141 WeakPolarHBondContact CB-O 3.47Å; F117-N141 WeakPolarHBondContact CG-O 3.31Å; F117-L142 HydrophobicContact CD1-CD2 4.31Å; F117-L142 HydrophobicContact CD1-CG 4.19Å; F117-L142 HydrophobicContact CE1-CD2 4.32Å; F117-L142 HydrophobicContact CE1-CG 4.38Å; F117-L142 HydrophobicContact CG-CG 4.49Å; F117-T144 PolarHBondContact O-OG1 3.48Å; F117-F145 HydrophobicContact CB-CE2 3.97Å; F117-F145 AromaticContact CD1-CE2 3.98Å; F117-F145 HydrophobicContact CD1-CE2 3.98Å; F117-F145 HydrophobicContact CD1-CZ 4.44Å; F117-F145 HydrophobicContact CG-CE2 4.44Å; F117-F145 WeakPolarHBondContact O-CZ 3.38Å
118	A	88.7	Confident	88	Confident	51 Å²	51	36 Å²	36	42%	0.421	24%	0.236	S	C	.	.	H	α-helix	trans	-70.3	-48	176.8	0	0	0	0	0	110	D116 L120 S121 S122 T144	D116-A118 VanDerWaalsContact C-N 3.26Å; D116-A118 PolarHBondContact O-N 2.84Å; D116-A118 WeakPolarHBondContact OD1-CB 3.44Å; D116-A118 PolarHBondContact OD1-N 3.46Å; A118-L120 VanDerWaalsContact C-N 3.33Å; A118-L120 PolarHBondContact O-N 2.84Å; A118-S121 WeakPolarHBondContact O-CB 3.31Å; A118-S121 PolarHBondContact O-N 3.32Å; A118-S122 PolarHBondContact O-N 3.06Å; A118-T144 HydrophobicContact CB-CG2 4.13Å
119	T	89.5	Confident	88.3	Confident	31 Å²	31	36.3 Å²	36.3	19%	0.19	24%	0.239	C	C	.	.	H	α-helix	trans	-65.5	-36.3	175.2	-57.7	0	0	0	0	111.7	V93 D116 S121 S122 F123	V93-T119 HydrophobicContact CB-CG2 3.87Å; V93-T119 HydrophobicContact CG1-CG2 3.85Å; D116-T119 VanDerWaalsContact CG-OG1 3.24Å; D116-T119 PolarHBondContact O-N 2.9Å; D116-T119 PolarHBondContact OD1-N 3.37Å; D116-T119 WeakPolarHBondContact OD2-CB 3.39Å; D116-T119 PolarHBondContact OD2-OG1 2.89Å; T119-S121 VanDerWaalsContact C-N 3.31Å; T119-S121 PolarHBondContact O-N 3.44Å; T119-S122 WeakPolarHBondContact CA-OG 3.06Å; T119-S122 PolarHBondContact O-N 3.46Å; T119-S122 PolarHBondContact O-OG 3.15Å; T119-F123 VanDerWaalsContact O-CB 3.31Å; T119-F123 WeakPolarHBondContact O-CB 3.35Å; T119-F123 PolarHBondContact O-N 3.31Å
120	L	90.7	Very high	88.9	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-62.5	-39.5	173	-174.9	57.5	0	0	0	112.3	L69 L91 V93 L105 T115 D116 A118 F123 A124 F145	L69-L120 HydrophobicContact CD1-CD1 3.79Å; L91-L120 HydrophobicContact CD2-CD2 4.16Å; V93-L120 HydrophobicContact CG2-CB 3.98Å; V93-L120 HydrophobicContact CG2-CD1 3.91Å; V93-L120 HydrophobicContact CG2-CG 4.49Å; L105-L120 HydrophobicContact CD2-CD1 3.94Å; L105-L120 HydrophobicContact CD2-CD2 3.85Å; L105-L120 HydrophobicContact CD2-CG 4.41Å; T115-L120 HydrophobicContact CG2-CD2 4.37Å; D116-L120 WeakPolarHBondContact O-CB 3.49Å; D116-L120 PolarHBondContact O-N 2.91Å; A118-L120 VanDerWaalsContact C-N 3.33Å; A118-L120 PolarHBondContact O-N 2.84Å; L120-F123 PolarHBondContact O-N 3.13Å; L120-A124 PolarHBondContact O-N 3.17Å; L120-F145 HydrophobicContact CB-CZ 3.95Å; L120-F145 HydrophobicContact CD2-CZ 3.96Å; L120-F145 HydrophobicContact CG-CE1 4.21Å; L120-F145 HydrophobicContact CG-CZ 3.84Å
121	S	91	Very high	89.9	Confident	17 Å²	17	36.6 Å²	36.6	12%	0.119	23%	0.232	C	C	.	.	H	α-helix	trans	-68.9	-33	177.4	-175.7	0	0	0	0	113	F117 A118 T119 P125 T144 F145	F117-S121 WeakPolarHBondContact O-CB 3.49Å; F117-S121 PolarHBondContact O-N 3.15Å; A118-S121 WeakPolarHBondContact O-CB 3.31Å; A118-S121 PolarHBondContact O-N 3.32Å; T119-S121 VanDerWaalsContact C-N 3.31Å; T119-S121 PolarHBondContact O-N 3.44Å; S121-P125 WeakPolarHBondContact O-CA 3.33Å; S121-T144 PolarHBondContact OG-O 2.96Å; S121-F145 VanDerWaalsContact CA-CE1 3.44Å
122	S	89.8	Confident	90.5	Very high	72 Å²	72	34.1 Å²	34.1	50%	0.503	21%	0.207	S	C	.	.	H	α-helix	trans	-76.4	-35.8	174.6	60.5	0	0	0	0	112	A118 T119	A118-S122 PolarHBondContact O-N 3.06Å; T119-S122 WeakPolarHBondContact CA-OG 3.06Å; T119-S122 PolarHBondContact O-N 3.46Å; T119-S122 PolarHBondContact O-OG 3.15Å
123	F	89.2	Confident	91	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-63.5	-47.8	175.4	179	-98.9	0	0	0	111.4	L69 L72 V93 P94 G97 S98 L99 T119 L120 P125	L69-F123 HydrophobicContact CB-CE1 4.23Å; L69-F123 HydrophobicContact CB-CZ 4.27Å; L69-F123 HydrophobicContact CD1-CD1 4.33Å; L69-F123 HydrophobicContact CD1-CE1 4.23Å; L72-F123 HydrophobicContact CB-CZ 4.24Å; V93-F123 HydrophobicContact CG1-CB 3.37Å; V93-F123 HydrophobicContact CG1-CD1 4.19Å; V93-F123 HydrophobicContact CG1-CD2 4.09Å; V93-F123 HydrophobicContact CG1-CG 3.63Å; P94-F123 HydrophobicContact CG-CD2 3.69Å; P94-F123 HydrophobicContact CG-CE2 3.51Å; P94-F123 HydrophobicContact CG-CZ 4.44Å; G97-F123 VanDerWaalsContact O-CD2 3.31Å; G97-F123 WeakPolarHBondContact O-CD2 3.25Å; S98-F123 CarbonylContact C-O 3.6Å; S98-F123 WeakPolarHBondContact CA-O 3.42Å; S98-F123 PolarHBondContact OG-O 3.48Å; L99-F123 HydrophobicContact CB-CD1 4.42Å; L99-F123 HydrophobicContact CB-CE1 3.77Å; L99-F123 HydrophobicContact CB-CZ 3.85Å; L99-F123 PolarHBondContact N-O 3.06Å; T119-F123 VanDerWaalsContact O-CB 3.31Å; T119-F123 WeakPolarHBondContact O-CB 3.35Å; T119-F123 PolarHBondContact O-N 3.31Å; L120-F123 PolarHBondContact O-N 3.13Å; F123-P125 WeakPolarHBondContact O-CD 3.37Å
124	A	91	Very high	91.5	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.22	C	C	.	.			trans	-124.3	76.2	-177.8	0	0	0	0	0	111.5	L102 L120 S126 L127	L102-A124 HydrophobicContact CB-CB 4.08Å; L102-A124 HydrophobicContact CD2-CB 4.02Å; L120-A124 PolarHBondContact O-N 3.17Å; A124-S126 PolarHBondContact O-N 2.92Å; A124-L127 HydrophobicContact CB-CD1 3.61Å; A124-L127 HydrophobicContact CB-CG 3.72Å; A124-L127 WeakPolarHBondContact O-CG 3.25Å; A124-L127 PolarHBondContact O-N 3.21Å
125	P	90.4	Very high	92.2	Very high	72 Å²	72	34 Å²	34	47%	0.468	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-21.3	-172.4	27.2	-35.8	0	0	0	114	P100 S121 F123 L127	P100-P125 HydrophobicContact CB-CG 4.47Å; S121-P125 WeakPolarHBondContact O-CA 3.33Å; F123-P125 WeakPolarHBondContact O-CD 3.37Å; P125-L127 VanDerWaalsContact C-N 3.34Å
126	S	93.4	Very high	92.6	Very high	46 Å²	46	33.4 Å²	33.4	32%	0.322	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	7.5	-178.4	-52.1	0	0	0	0	113.9	P100 L102 L103 A124 L128	P100-S126 WeakPolarHBondContact O-CB 3.35Å; P100-S126 PolarHBondContact O-OG 3.21Å; L102-S126 CarbonylContact O-C 3.08Å; L103-S126 WeakPolarHBondContact CD2-O 3.46Å; A124-S126 PolarHBondContact O-N 2.92Å; S126-L128 PolarHBondContact O-N 3.27Å; S126-L128 VanDerWaalsContact O-N 3.16Å
127	L	95.4	Very high	92.8	Very high	2 Å²	2	29.2 Å²	29.2	1%	0.01	17%	0.171	C	C	.	.			trans	-60	120.6	-178.2	-84	171.6	0	0	0	111.6	L102 L105 A124 P125 V130 F145	L102-L127 HydrophobicContact CD2-CD2 4.13Å; L102-L127 HydrophobicContact CG-CD2 4.07Å; L102-L127 PolarHBondContact O-N 3.42Å; L105-L127 HydrophobicContact CB-CD2 3.84Å; A124-L127 HydrophobicContact CB-CD1 3.61Å; A124-L127 HydrophobicContact CB-CG 3.72Å; A124-L127 WeakPolarHBondContact O-CG 3.25Å; A124-L127 PolarHBondContact O-N 3.21Å; P125-L127 VanDerWaalsContact C-N 3.34Å; L127-V130 HydrophobicContact CB-CG2 4.5Å; L127-V130 HydrophobicContact CD1-CG2 4.16Å; L127-V130 HydrophobicContact CD2-CG2 4.48Å; L127-F145 HydrophobicContact CB-CD1 4.49Å; L127-F145 HydrophobicContact CD1-CD1 4.49Å; L127-F145 HydrophobicContact CD1-CE1 3.89Å
128	L	97.2	Very high	93	Very high	65 Å²	65	32.3 Å²	32.3	34%	0.34	19%	0.191	S	C	.	.			trans	-104.2	-26.9	176.5	-63.3	-178.9	0	0	0	112.1	L103 S126 G147 R149 N150	L103-L128 HydrophobicContact CD2-CD1 4.44Å; L103-L128 PolarHBondContact O-N 2.96Å; S126-L128 PolarHBondContact O-N 3.27Å; S126-L128 VanDerWaalsContact O-N 3.16Å; L128-G147 VanDerWaalsContact CD2-O 3.3Å; L128-G147 WeakPolarHBondContact CD2-O 3.46Å; L128-R149 HydrophobicContact CD2-CG 4.46Å; L128-R149 PolarHBondContact O-N 3.41Å; L128-N150 PolarHBondContact O-N 3.47Å
129	S	97.8	Very high	93	Very high	20 Å²	20	37.6 Å²	37.6	14%	0.14	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	125.5	-177.1	-167.6	0	0	0	0	111.1	L103 R104 L105 N150	L103-S129 PolarHBondContact O-N 3.46Å; L103-S129 VanDerWaalsContact O-N 3.07Å; R104-S129 WeakPolarHBondContact CA-O 3.35Å; L105-S129 PolarHBondContact N-O 3.5Å; S129-N150 CarbonylContact C-O 3.41Å; S129-N150 WeakPolarHBondContact CA-O 3.4Å
130	V	96.2	Very high	93.1	Very high	2 Å²	2	36.7 Å²	36.7	1%	0.012	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	125	175.9	171.8	0	0	0	0	109	L105 L127 L132 L148 N150 L151 D152	L105-V130 CarbonylContact O-C 3.38Å; L105-V130 WeakPolarHBondContact O-CA 3.33Å; L127-V130 HydrophobicContact CB-CG2 4.5Å; L127-V130 HydrophobicContact CD1-CG2 4.16Å; L127-V130 HydrophobicContact CD2-CG2 4.48Å; V130-L132 HydrophobicContact CG1-CD1 3.84Å; V130-L132 HydrophobicContact CG1-CG 3.75Å; V130-L148 HydrophobicContact CB-CD1 3.98Å; V130-L148 HydrophobicContact CG2-CD1 3.58Å; V130-N150 PolarHBondContact N-O 3.28Å; V130-L151 HydrophobicContact CB-CD1 4.1Å; V130-L151 HydrophobicContact CG1-CD1 4.06Å; V130-L151 WeakPolarHBondContact O-CA 3.12Å; V130-D152 PolarHBondContact O-N 2.93Å
131	N	95.7	Very high	93.2	Very high	38 Å²	38	40.3 Å²	40.3	20%	0.203	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	110.9	172.8	-177.2	-12.9	0	0	0	109.3	L105 T106 V107 S133 D152	L105-N131 PolarHBondContact O-N 3.01Å; T106-N131 CarbonylContact C-O 3.56Å; T106-N131 VanDerWaalsContact CA-O 3.3Å; T106-N131 WeakPolarHBondContact CA-O 3.4Å; T106-N131 HydrophobicContact CG2-CB 4.02Å; V107-N131 PolarHBondContact N-O 3.47Å; N131-S133 VanDerWaalsContact OD1-CB 3.24Å; N131-S133 WeakPolarHBondContact OD1-CB 3.4Å; N131-S133 PolarHBondContact OD1-N 3.34Å; N131-S133 PolarHBondContact OD1-OG 2.98Å; N131-D152 HydrophobicContact CB-CB 4.17Å
132	L	94.8	Very high	93.3	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.216	C	C	.	.			trans	-121.3	34.3	176.7	-63.9	173.9	0	0	0	110	V107 M112 F117 V130 N135 F137 D152 L153 N156	V107-L132 HydrophobicContact CB-CD2 3.92Å; V107-L132 HydrophobicContact CG2-CD2 4.41Å; V107-L132 WeakPolarHBondContact O-CA 3.43Å; M112-L132 HydrophobicContact CE-CD2 4.29Å; F117-L132 HydrophobicContact CE1-CD1 3.61Å; F117-L132 HydrophobicContact CZ-CD1 4.12Å; V130-L132 HydrophobicContact CG1-CD1 3.84Å; V130-L132 HydrophobicContact CG1-CG 3.75Å; L132-N135 PolarHBondContact O-ND2 3.14Å; L132-F137 HydrophobicContact CB-CE2 4.04Å; L132-F137 HydrophobicContact CD1-CE2 4.23Å; L132-F137 HydrophobicContact CD1-CZ 4.38Å; L132-D152 PolarHBondContact N-O 2.9Å; L132-L153 HydrophobicContact CB-CD2 3.88Å; L132-L153 HydrophobicContact CD1-CD2 4.46Å; L132-N156 PolarHBondContact O-ND2 2.96Å
133	S	95.4	Very high	93.4	Very high	11 Å²	11	41.1 Å²	41.1	8%	0.077	22%	0.219	C	C	.	.			trans	-68	158.5	178.2	63.7	0	0	0	0	112.7	T108 N131 N135 S154	T108-S133 VanDerWaalsContact CA-O 3.28Å; T108-S133 WeakPolarHBondContact CA-O 3.42Å; T108-S133 VanDerWaalsContact CB-O 3.3Å; T108-S133 WeakPolarHBondContact CB-O 3.08Å; T108-S133 WeakPolarHBondContact CG2-O 3.11Å; T108-S133 VanDerWaalsContact CG2-OG 3.26Å; T108-S133 WeakPolarHBondContact CG2-OG 3.43Å; N131-S133 VanDerWaalsContact OD1-CB 3.24Å; N131-S133 WeakPolarHBondContact OD1-CB 3.4Å; N131-S133 PolarHBondContact OD1-N 3.34Å; N131-S133 PolarHBondContact OD1-OG 2.98Å; S133-N135 VanDerWaalsContact C-N 3.3Å; S133-N135 PolarHBondContact O-N 3.34Å; S133-N135 PolarHBondContact O-ND2 3.4Å; S133-S154 CarbonylContact C-O 3.58Å; S133-S154 WeakPolarHBondContact CA-O 3.3Å; S133-S154 WeakPolarHBondContact CB-O 3.39Å; S133-S154 VanDerWaalsContact CB-OG 3.27Å; S133-S154 WeakPolarHBondContact CB-OG 3.47Å
134	R	94.3	Very high	93.5	Very high	152 Å²	152	44 Å²	44	57%	0.574	24%	0.236	S	C	*	.	S	Bend	trans	57.4	40.6	178.3	-58.5	175.9	177.1	-91.7	-4	113.2	G109 S154 F155	G109-R134 WeakPolarHBondContact CA-O 3.39Å; G109-R134 PolarHBondContact N-O 3.49Å; R134-S154 PolarHBondContact N-O 3.26Å; R134-F155 WeakPolarHBondContact CA-O 3.31Å; R134-F155 HydrophobicContact CB-CB 4.29Å; R134-F155 HydrophobicContact CG-CB 3.71Å; R134-F155 HydrophobicContact CG-CD2 4.25Å; R134-F155 HydrophobicContact CG-CG 4.08Å
135	N	93.4	Very high	93.6	Very high	11 Å²	11	44.2 Å²	44.2	6%	0.059	24%	0.238	C	C	.	.	S	Bend	trans	-114.2	-168.9	174.4	-69.6	-61.9	0	0	0	111.5	V107 A110 M112 L132 S133 F137 N156	V107-N135 PolarHBondContact O-ND2 3.3Å; A110-N135 VanDerWaalsContact CA-OD1 3.32Å; A110-N135 WeakPolarHBondContact CA-OD1 3.49Å; A110-N135 WeakPolarHBondContact CB-OD1 3.39Å; A110-N135 PolarHBondContact N-OD1 3.38Å; A110-N135 VanDerWaalsContact N-OD1 3.09Å; A110-N135 VanDerWaalsContact O-CA 3.25Å; A110-N135 WeakPolarHBondContact O-CA 3.47Å; A110-N135 PolarHBondContact O-OD1 3.15Å; M112-N135 HydrophobicContact CB-CB 4.25Å; M112-N135 VanDerWaalsContact CE-OD1 3.28Å; M112-N135 WeakPolarHBondContact CE-OD1 3.43Å; L132-N135 PolarHBondContact O-ND2 3.14Å; S133-N135 VanDerWaalsContact C-N 3.3Å; S133-N135 PolarHBondContact O-N 3.34Å; S133-N135 PolarHBondContact O-ND2 3.4Å; N135-F137 HydrophobicContact CB-CD2 3.67Å; N135-F137 HydrophobicContact CB-CE2 3.77Å; N135-N156 VanDerWaalsContact CA-OD1 3.27Å; N135-N156 WeakPolarHBondContact CA-OD1 3.39Å; N135-N156 WeakPolarHBondContact CB-OD1 3.47Å; N135-N156 PolarHBondContact N-OD1 3.42Å; N135-N156 PolarHBondContact O-OD1 3.01Å; N135-N156 VanDerWaalsContact O-OD1 3.12Å
136	G	92.3	Very high	93.6	Very high	8 Å²	8	51.8 Å²	51.8	8%	0.082	26%	0.257	C	S	.	.			trans	-104.1	14.4	-179.4	0	0	0	0	0	115.2	M112 T138 N156	M112-G136 CarbonylContact O-C 2.91Å; M112-G136 WeakPolarHBondContact O-CA 3.4Å; M112-G136 PolarHBondContact O-N 3.42Å; G136-T138 PolarHBondContact O-N 3.41Å; G136-N156 PolarHBondContact N-OD1 2.77Å
137	F	93.1	Very high	93.6	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.257	C	S	.	.			trans	-62.7	126.8	-172.3	-70	-74.5	0	0	0	111.7	M112 F117 L132 N135 N156 K157 L158	M112-F137 HydrophobicContact CB-CE2 4.17Å; M112-F137 HydrophobicContact CB-CZ 4.05Å; M112-F137 HydrophobicContact CE-CE2 4.46Å; M112-F137 PolarHBondContact O-N 3.31Å; F117-F137 HydrophobicContact CE2-CE1 4.38Å; F117-F137 HydrophobicContact CZ-CD1 4.38Å; F117-F137 AromaticContact CZ-CE1 3.97Å; F117-F137 HydrophobicContact CZ-CE1 3.97Å; F117-F137 HydrophobicContact CZ-CZ 4.32Å; L132-F137 HydrophobicContact CB-CE2 4.04Å; L132-F137 HydrophobicContact CD1-CE2 4.23Å; L132-F137 HydrophobicContact CD1-CZ 4.38Å; N135-F137 HydrophobicContact CB-CD2 3.67Å; N135-F137 HydrophobicContact CB-CE2 3.77Å; F137-N156 HydrophobicContact CB-CB 4.37Å; F137-N156 WeakPolarHBondContact CD2-OD1 3.45Å; F137-N156 PolarHBondContact N-OD1 2.85Å; F137-K157 CarbonylContact O-C 3.39Å; F137-K157 WeakPolarHBondContact O-CA 3.5Å; F137-K157 PolarHBondContact O-N 3.04Å; F137-L158 HydrophobicContact CB-CD2 4.24Å; F137-L158 PolarHBondContact O-N 3.01Å
138	T	92.8	Very high	93.6	Very high	80 Å²	80	51 Å²	51	49%	0.491	26%	0.256	S	S	.	.	S	Bend	trans	-98.1	-28.9	173.9	51.9	0	0	0	0	112.1	G136 K157	G136-T138 PolarHBondContact O-N 3.41Å; T138-K157 HydrophobicContact CG2-CB 4.16Å
139	E	90.6	Very high	93.7	Very high	163 Å²	163	54.3 Å²	54.3	76%	0.762	27%	0.265	S	S	*	.			trans	-143	150.8	177.6	-61.7	-176.9	177.1	0	0	108.6
140	A	90.8	Very high	93.7	Very high	11 Å²	11	56 Å²	56	9%	0.091	27%	0.272	C	S	.	.			trans	-148.5	144.4	171.9	0	0	0	0	0	109.7	F117 L142 P162 I163	F117-A140 HydrophobicContact CD2-CB 4.49Å; F117-A140 HydrophobicContact CE2-CB 3.67Å; F117-A140 HydrophobicContact CZ-CB 3.9Å; A140-L142 HydrophobicContact CB-CD1 3.65Å; A140-P162 HydrophobicContact CB-CB 3.91Å; A140-P162 WeakPolarHBondContact O-CA 3.35Å; A140-P162 WeakPolarHBondContact O-CB 3.45Å; A140-I163 PolarHBondContact O-N 3.01Å
141	N	93.1	Very high	93.8	Very high	77 Å²	77	56 Å²	56	41%	0.412	27%	0.272	S	S	.	.	B	Isolated β-bridge	trans	-129.2	105	175.6	-177.9	-2.4	0	0	0	108.2	F117 L143	F117-N141 WeakPolarHBondContact CB-O 3.47Å; F117-N141 WeakPolarHBondContact CG-O 3.31Å; N141-L143 WeakPolarHBondContact OD1-CB 3.38Å; N141-L143 PolarHBondContact OD1-N 2.91Å
142	L	93.1	Very high	93.9	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	27%	0.269	C	S	.	.			trans	-109.3	15.4	-176.1	-63.9	100.8	0	0	0	112.3	F117 A140 T144 F145 L148 L151 L153 P162 I163 P165	F117-L142 HydrophobicContact CD1-CD2 4.31Å; F117-L142 HydrophobicContact CD1-CG 4.19Å; F117-L142 HydrophobicContact CE1-CD2 4.32Å; F117-L142 HydrophobicContact CE1-CG 4.38Å; F117-L142 HydrophobicContact CG-CG 4.49Å; A140-L142 HydrophobicContact CB-CD1 3.65Å; L142-T144 PolarHBondContact O-N 2.97Å; L142-T144 VanDerWaalsContact O-N 3.11Å; L142-F145 HydrophobicContact CB-CD2 3.92Å; L142-F145 HydrophobicContact CB-CE2 4.41Å; L142-F145 HydrophobicContact CD2-CD2 4.18Å; L142-F145 HydrophobicContact CD2-CE2 4.16Å; L142-F145 HydrophobicContact CG-CD2 4.33Å; L142-F145 HydrophobicContact CG-CE2 4.37Å; L142-F145 PolarHBondContact O-N 3.04Å; L142-F145 VanDerWaalsContact O-N 3.14Å; L142-L148 HydrophobicContact CD2-CD2 4.15Å; L142-L151 HydrophobicContact CD1-CD2 4.12Å; L142-L151 HydrophobicContact CD2-CD1 3.65Å; L142-L151 HydrophobicContact CD2-CD2 3.85Å; L142-L151 HydrophobicContact CD2-CG 4.42Å; L142-L151 HydrophobicContact CG-CD2 4.46Å; L142-L153 HydrophobicContact CD1-CD1 4.05Å; L142-P162 HydrophobicContact CD1-CB 4.32Å; L142-I163 PolarHBondContact N-O 3.1Å; L142-P165 WeakPolarHBondContact O-CD 3.38Å; L142-P165 WeakPolarHBondContact O-CG 3.01Å
143	L	91.7	Very high	94	Very high	105 Å²	105	55.5 Å²	55.5	55%	0.55	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-30	-177.4	-174	64.5	0	0	0	113.1	N141 F145 I163	N141-L143 WeakPolarHBondContact OD1-CB 3.38Å; N141-L143 PolarHBondContact OD1-N 2.91Å; L143-F145 VanDerWaalsContact C-N 3.31Å; L143-F145 PolarHBondContact O-N 3.28Å; L143-I163 HydrophobicContact CB-CG2 3.95Å; L143-I163 HydrophobicContact CD1-CG2 4.3Å; L143-I163 HydrophobicContact CD2-CG2 4.42Å; L143-I163 HydrophobicContact CG-CG2 4.45Å
144	T	91.3	Very high	94.1	Very high	61 Å²	61	55.2 Å²	55.2	37%	0.374	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-25.7	-178.2	46.3	0	0	0	0	113.5	F117 A118 S121 L142 R146	F117-T144 PolarHBondContact O-OG1 3.48Å; A118-T144 HydrophobicContact CB-CG2 4.13Å; S121-T144 PolarHBondContact OG-O 2.96Å; L142-T144 PolarHBondContact O-N 2.97Å; L142-T144 VanDerWaalsContact O-N 3.11Å; T144-R146 PolarHBondContact O-N 3.46Å
145	F	93	Very high	94.3	Very high	5 Å²	5	52.4 Å²	52.4	2%	0.022	26%	0.259	C	S	.	.			trans	-80.1	79.6	-177.2	-62.8	-84.9	0	0	0	112.6	F117 L120 S121 L127 L142 L143 G147 L148 P165	F117-F145 HydrophobicContact CB-CE2 3.97Å; F117-F145 AromaticContact CD1-CE2 3.98Å; F117-F145 HydrophobicContact CD1-CE2 3.98Å; F117-F145 HydrophobicContact CD1-CZ 4.44Å; F117-F145 HydrophobicContact CG-CE2 4.44Å; F117-F145 WeakPolarHBondContact O-CZ 3.38Å; L120-F145 HydrophobicContact CB-CZ 3.95Å; L120-F145 HydrophobicContact CD2-CZ 3.96Å; L120-F145 HydrophobicContact CG-CE1 4.21Å; L120-F145 HydrophobicContact CG-CZ 3.84Å; S121-F145 VanDerWaalsContact CA-CE1 3.44Å; L127-F145 HydrophobicContact CB-CD1 4.49Å; L127-F145 HydrophobicContact CD1-CD1 4.49Å; L127-F145 HydrophobicContact CD1-CE1 3.89Å; L142-F145 HydrophobicContact CB-CD2 3.92Å; L142-F145 HydrophobicContact CB-CE2 4.41Å; L142-F145 HydrophobicContact CD2-CD2 4.18Å; L142-F145 HydrophobicContact CD2-CE2 4.16Å; L142-F145 HydrophobicContact CG-CD2 4.33Å; L142-F145 HydrophobicContact CG-CE2 4.37Å; L142-F145 PolarHBondContact O-N 3.04Å; L142-F145 VanDerWaalsContact O-N 3.14Å; L143-F145 VanDerWaalsContact C-N 3.31Å; L143-F145 PolarHBondContact O-N 3.28Å; F145-G147 PolarHBondContact O-N 2.93Å; F145-L148 HydrophobicContact CB-CB 3.74Å; F145-L148 HydrophobicContact CB-CD2 4.19Å; F145-L148 PolarHBondContact O-N 3.47Å; F145-P165 VanDerWaalsContact O-CB 3.25Å; F145-P165 WeakPolarHBondContact O-CB 3.37Å; F145-P165 WeakPolarHBondContact O-CG 3.43Å
146	R	89.9	Confident	94.4	Very high	230 Å²	230	52.3 Å²	52.3	87%	0.868	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-21.5	-174.6	-61.9	-176.6	-178.3	-178.1	0.6	115.5	T144 S167	T144-R146 PolarHBondContact O-N 3.46Å; R146-S167 VanDerWaalsContact O-CB 3.22Å; R146-S167 WeakPolarHBondContact O-CB 3.35Å; R146-S167 PolarHBondContact O-OG 3.38Å
147	G	93.3	Very high	94.5	Very high	32 Å²	32	56.6 Å²	56.6	33%	0.33	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104	-3	-178.3	0	0	0	0	0	114.6	L128 F145 R149	L128-G147 VanDerWaalsContact CD2-O 3.3Å; L128-G147 WeakPolarHBondContact CD2-O 3.46Å; F145-G147 PolarHBondContact O-N 2.93Å; G147-R149 PolarHBondContact O-N 3.41Å
148	L	96.7	Very high	94.7	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	28%	0.275	C	S	.	.			trans	-68	127	-170.7	-170.9	69.3	0	0	0	110.8	V130 L142 F145 L151 P165 S167 L168	V130-L148 HydrophobicContact CB-CD1 3.98Å; V130-L148 HydrophobicContact CG2-CD1 3.58Å; L142-L148 HydrophobicContact CD2-CD2 4.15Å; F145-L148 HydrophobicContact CB-CB 3.74Å; F145-L148 HydrophobicContact CB-CD2 4.19Å; F145-L148 PolarHBondContact O-N 3.47Å; L148-L151 HydrophobicContact CD2-CB 4.22Å; L148-L151 HydrophobicContact CD2-CD1 4.3Å; L148-L151 HydrophobicContact CD2-CD2 4.44Å; L148-P165 HydrophobicContact CB-CG 4.22Å; L148-P165 HydrophobicContact CD2-CG 4.32Å; L148-S167 PolarHBondContact N-OG 3.32Å; L148-S167 CarbonylContact O-C 3Å; L148-S167 WeakPolarHBondContact O-CB 3.34Å; L148-S167 VanDerWaalsContact O-O 3.12Å; L148-S167 PolarHBondContact O-OG 3.18Å; L148-L168 HydrophobicContact CB-CD2 4.33Å; L148-L168 HydrophobicContact CD2-CD2 4Å; L148-L168 HydrophobicContact CG-CD2 3.86Å; L148-L168 PolarHBondContact O-N 3.14Å
149	R	97.9	Very high	94.8	Very high	135 Å²	135	55.5 Å²	55.5	51%	0.509	27%	0.274	S	S	.	.			trans	-109.4	-37.5	-178.2	-61.6	-172.9	-178.2	-167	-1.3	112.6	L128 G147 N169 F170	L128-R149 HydrophobicContact CD2-CG 4.46Å; L128-R149 PolarHBondContact O-N 3.41Å; G147-R149 PolarHBondContact O-N 3.41Å; R149-N169 PolarHBondContact O-N 3.46Å; R149-F170 PolarHBondContact O-N 2.96Å
150	N	98.4	Very high	95	Very high	56 Å²	56	55.3 Å²	55.3	30%	0.299	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	123.4	-177.1	-60.5	-18.1	0	0	0	109.8	L128 S129 V130 F170	L128-N150 PolarHBondContact O-N 3.47Å; S129-N150 CarbonylContact C-O 3.41Å; S129-N150 WeakPolarHBondContact CA-O 3.4Å; V130-N150 PolarHBondContact N-O 3.28Å; N150-F170 HydrophobicContact CB-CB 4.42Å
151	L	98.1	Very high	95.2	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	122.3	177.2	179.5	59.8	0	0	0	110.5	V130 L142 L148 L153 L164 L168 F170 L171 N172	V130-L151 HydrophobicContact CB-CD1 4.1Å; V130-L151 HydrophobicContact CG1-CD1 4.06Å; V130-L151 WeakPolarHBondContact O-CA 3.12Å; L142-L151 HydrophobicContact CD1-CD2 4.12Å; L142-L151 HydrophobicContact CD2-CD1 3.65Å; L142-L151 HydrophobicContact CD2-CD2 3.85Å; L142-L151 HydrophobicContact CD2-CG 4.42Å; L142-L151 HydrophobicContact CG-CD2 4.46Å; L148-L151 HydrophobicContact CD2-CB 4.22Å; L148-L151 HydrophobicContact CD2-CD1 4.3Å; L148-L151 HydrophobicContact CD2-CD2 4.44Å; L151-L153 HydrophobicContact CD1-CD1 4.13Å; L151-L153 HydrophobicContact CD1-CG 3.95Å; L151-L153 HydrophobicContact CD2-CD1 3.84Å; L151-L153 HydrophobicContact CD2-CG 4.46Å; L151-L153 HydrophobicContact CG-CD1 4.04Å; L151-L153 HydrophobicContact CG-CG 4.12Å; L151-L164 HydrophobicContact CD2-CD2 3.45Å; L151-L164 VanDerWaalsContact CD2-CD2 3.45Å; L151-L168 HydrophobicContact CB-CD1 4.42Å; L151-L168 HydrophobicContact CB-CD2 3.74Å; L151-L168 HydrophobicContact CD2-CD1 4.25Å; L151-F170 PolarHBondContact N-O 2.76Å; L151-L171 HydrophobicContact CB-CD1 4.14Å; L151-L171 HydrophobicContact CD2-CD1 3.9Å; L151-L171 HydrophobicContact CG-CD1 4.09Å; L151-L171 WeakPolarHBondContact O-CA 3.26Å; L151-N172 PolarHBondContact O-N 3.02Å
152	D	98.1	Very high	95.2	Very high	28 Å²	28	52.3 Å²	52.3	15%	0.15	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	116.1	170.6	-166.6	-20.9	0	0	0	110	V130 N131 L132 S154 N172	V130-D152 PolarHBondContact O-N 2.93Å; N131-D152 HydrophobicContact CB-CB 4.17Å; L132-D152 PolarHBondContact N-O 2.9Å; D152-S154 WeakPolarHBondContact OD1-CB 3.45Å; D152-S154 PolarHBondContact OD1-N 2.88Å; D152-S154 PolarHBondContact OD1-OG 3.34Å; D152-N172 HydrophobicContact CB-CB 4.36Å; D152-N172 PolarHBondContact OD1-ND2 3.33Å; D152-N172 PolarHBondContact OD2-ND2 2.95Å
153	L	97.2	Very high	95.2	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	28%	0.276	C	S	.	.			trans	-123.4	22.5	175.4	-75.9	169.1	0	0	0	110.6	L132 L142 L151 N156 L158 P162 N172 L173 N176	L132-L153 HydrophobicContact CB-CD2 3.88Å; L132-L153 HydrophobicContact CD1-CD2 4.46Å; L142-L153 HydrophobicContact CD1-CD1 4.05Å; L151-L153 HydrophobicContact CD1-CD1 4.13Å; L151-L153 HydrophobicContact CD1-CG 3.95Å; L151-L153 HydrophobicContact CD2-CD1 3.84Å; L151-L153 HydrophobicContact CD2-CG 4.46Å; L151-L153 HydrophobicContact CG-CD1 4.04Å; L151-L153 HydrophobicContact CG-CG 4.12Å; L153-N156 PolarHBondContact O-ND2 3.28Å; L153-L158 HydrophobicContact CB-CD1 4.09Å; L153-L158 HydrophobicContact CD1-CD1 4.31Å; L153-P162 HydrophobicContact CD1-CG 3.95Å; L153-N172 PolarHBondContact N-O 3.1Å; L153-L173 HydrophobicContact CB-CD2 3.79Å; L153-L173 HydrophobicContact CD1-CD2 4.13Å; L153-N176 PolarHBondContact O-ND2 3.04Å
154	S	97.9	Very high	95.4	Very high	5 Å²	5	52.6 Å²	52.6	4%	0.035	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	157.8	-179.5	61.7	0	0	0	0	112.8	S133 R134 D152 N156 N172 S174	S133-S154 CarbonylContact C-O 3.58Å; S133-S154 WeakPolarHBondContact CA-O 3.3Å; S133-S154 WeakPolarHBondContact CB-O 3.39Å; S133-S154 VanDerWaalsContact CB-OG 3.27Å; S133-S154 WeakPolarHBondContact CB-OG 3.47Å; R134-S154 PolarHBondContact N-O 3.26Å; D152-S154 WeakPolarHBondContact OD1-CB 3.45Å; D152-S154 PolarHBondContact OD1-N 2.88Å; D152-S154 PolarHBondContact OD1-OG 3.34Å; S154-N156 VanDerWaalsContact C-N 3.28Å; S154-N156 PolarHBondContact O-N 2.93Å; S154-N156 PolarHBondContact O-ND2 3.32Å; S154-N172 PolarHBondContact N-O 3.15Å; S154-S174 CarbonylContact C-O 3.41Å; S154-S174 WeakPolarHBondContact CA-O 3.49Å; S154-S174 WeakPolarHBondContact CB-O 2.89Å; S154-S174 WeakPolarHBondContact CB-OG 3.21Å
155	F	96.7	Very high	95.5	Very high	93 Å²	93	49.9 Å²	49.9	41%	0.408	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.1	38.5	179.9	-62.2	-88.1	0	0	0	114.1	R134 S174 S175	R134-F155 WeakPolarHBondContact CA-O 3.31Å; R134-F155 HydrophobicContact CB-CB 4.29Å; R134-F155 HydrophobicContact CG-CB 3.71Å; R134-F155 HydrophobicContact CG-CD2 4.25Å; R134-F155 HydrophobicContact CG-CG 4.08Å; F155-S174 PolarHBondContact N-O 2.89Å; F155-S175 WeakPolarHBondContact CA-O 3.08Å; F155-S175 WeakPolarHBondContact CE1-OG 3.47Å; F155-S175 PolarHBondContact N-O 3.25Å
156	N	96	Very high	95.6	Very high	9 Å²	9	53.1 Å²	53.1	5%	0.048	26%	0.261	C	S	.	.	S	Bend	trans	-107.4	-165.5	172.5	-83.9	-75.3	0	0	0	110.8	L132 N135 G136 F137 L153 S154 L158 N176	L132-N156 PolarHBondContact O-ND2 2.96Å; N135-N156 VanDerWaalsContact CA-OD1 3.27Å; N135-N156 WeakPolarHBondContact CA-OD1 3.39Å; N135-N156 WeakPolarHBondContact CB-OD1 3.47Å; N135-N156 PolarHBondContact N-OD1 3.42Å; N135-N156 PolarHBondContact O-OD1 3.01Å; N135-N156 VanDerWaalsContact O-OD1 3.12Å; G136-N156 PolarHBondContact N-OD1 2.77Å; F137-N156 HydrophobicContact CB-CB 4.37Å; F137-N156 WeakPolarHBondContact CD2-OD1 3.45Å; F137-N156 PolarHBondContact N-OD1 2.85Å; L153-N156 PolarHBondContact O-ND2 3.28Å; S154-N156 VanDerWaalsContact C-N 3.28Å; S154-N156 PolarHBondContact O-N 2.93Å; S154-N156 PolarHBondContact O-ND2 3.32Å; N156-L158 HydrophobicContact CB-CG 4.2Å; N156-N176 VanDerWaalsContact CA-OD1 3.25Å; N156-N176 WeakPolarHBondContact CA-OD1 3.35Å; N156-N176 WeakPolarHBondContact CB-OD1 3.45Å; N156-N176 PolarHBondContact N-OD1 3.27Å; N156-N176 PolarHBondContact O-OD1 2.99Å
157	K	95.6	Very high	95.9	Very high	99 Å²	99	43.2 Å²	43.2	43%	0.43	23%	0.227	S	C	.	.			trans	-114.9	24.6	179.9	-61.8	177.4	-175	167.7	0	111.9	F137 T138 A159 N176	F137-K157 CarbonylContact O-C 3.39Å; F137-K157 WeakPolarHBondContact O-CA 3.5Å; F137-K157 PolarHBondContact O-N 3.04Å; T138-K157 HydrophobicContact CG2-CB 4.16Å; K157-A159 PolarHBondContact O-N 3.34Å; K157-N176 PolarHBondContact N-OD1 2.94Å
158	L	95.9	Very high	96.1	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.005	21%	0.212	C	C	.	.			trans	-63.4	119.2	-175.6	-60.7	173.6	0	0	0	110.4	F137 L153 N156 L173 N176 R177 V178	F137-L158 HydrophobicContact CB-CD2 4.24Å; F137-L158 PolarHBondContact O-N 3.01Å; L153-L158 HydrophobicContact CB-CD1 4.09Å; L153-L158 HydrophobicContact CD1-CD1 4.31Å; N156-L158 HydrophobicContact CB-CG 4.2Å; L158-L173 HydrophobicContact CD1-CD2 3.72Å; L158-N176 HydrophobicContact CB-CB 4.18Å; L158-N176 WeakPolarHBondContact CB-OD1 3.46Å; L158-N176 WeakPolarHBondContact CG-OD1 3.47Å; L158-N176 PolarHBondContact N-OD1 3.24Å; L158-R177 CarbonylContact O-C 3.56Å; L158-R177 VanDerWaalsContact O-C 3.23Å; L158-R177 VanDerWaalsContact O-CA 3.26Å; L158-R177 WeakPolarHBondContact O-CA 3.25Å; L158-R177 WeakPolarHBondContact O-CB 3.32Å; L158-R177 PolarHBondContact O-N 2.95Å; L158-V178 PolarHBondContact O-N 3.43Å
159	A	95.4	Very high	96.2	Very high	56 Å²	56	44 Å²	44	46%	0.463	22%	0.223	S	C	.	.	S	Bend	trans	-86.4	-19	176.5	0	0	0	0	0	112.7	K157	K157-A159 PolarHBondContact O-N 3.34Å
160	K	94.8	Very high	96.2	Very high	159 Å²	159	41 Å²	41	69%	0.691	22%	0.215	S	C	*	.	S	Bend	trans	-138.2	160.8	178.6	-66.5	-175.7	-179.8	178	0	109.4
161	I	95	Very high	96.2	Very high	15 Å²	15	38.4 Å²	38.4	8%	0.077	20%	0.2	C	C	.	.	P	Polyproline II helix	trans	-63.1	132.3	170.7	-55.7	-64.3	0	0	0	108.2	L164 L173 V178 L181 D185 L186 L197	I161-L164 HydrophobicContact CG2-CD1 3.64Å; I161-L173 HydrophobicContact CD1-CD1 3.56Å; I161-L173 HydrophobicContact CG2-CD1 4.17Å; I161-V178 HydrophobicContact CD1-CG1 4.01Å; I161-V178 HydrophobicContact CD1-CG2 4.14Å; I161-V178 HydrophobicContact CG1-CG1 4.24Å; I161-L181 HydrophobicContact CD1-CD2 3.79Å; I161-L181 HydrophobicContact CG1-CD2 3.67Å; I161-D185 HydrophobicContact CB-CB 3.91Å; I161-D185 HydrophobicContact CG1-CB 3.88Å; I161-D185 HydrophobicContact CG2-CB 4.4Å; I161-D185 WeakPolarHBondContact CG2-O 3.49Å; I161-L186 HydrophobicContact CG2-CD2 4.06Å; I161-L197 HydrophobicContact CD1-CD2 3.62Å
162	P	93.6	Very high	96.3	Very high	9 Å²	9	39.2 Å²	39.2	6%	0.058	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-67.4	167	176.9	28.2	-34.7	0	0	0	111.4	A140 L142 L153 L164 L173	A140-P162 HydrophobicContact CB-CB 3.91Å; A140-P162 WeakPolarHBondContact O-CA 3.35Å; A140-P162 WeakPolarHBondContact O-CB 3.45Å; L142-P162 HydrophobicContact CD1-CB 4.32Å; L153-P162 HydrophobicContact CD1-CG 3.95Å; P162-L164 HydrophobicContact CG-CD2 3.92Å; P162-L164 HydrophobicContact CG-CG 4.12Å; P162-L164 WeakPolarHBondContact O-CG 3.48Å; P162-L164 PolarHBondContact O-N 3.44Å; P162-L173 HydrophobicContact CG-CD2 4.18Å
163	I	92.9	Very high	96.3	Very high	95 Å²	95	37.9 Å²	37.9	49%	0.487	20%	0.198	S	C	.	.	B	Isolated β-bridge	trans	-76.6	120.5	170.7	-55.2	173.9	0	0	0	107.4	A140 L142 L143	A140-I163 PolarHBondContact O-N 3.01Å; L142-I163 PolarHBondContact N-O 3.1Å; L143-I163 HydrophobicContact CB-CG2 3.95Å; L143-I163 HydrophobicContact CD1-CG2 4.3Å; L143-I163 HydrophobicContact CD2-CG2 4.42Å; L143-I163 HydrophobicContact CG-CG2 4.45Å
164	L	95	Very high	96.3	Very high	17 Å²	17	38.3 Å²	38.3	9%	0.089	20%	0.201	C	C	.	.			trans	-114.7	147.2	-167.8	-67.6	157.8	0	0	0	111.4	L151 I161 P162 L168 L171 L189	L151-L164 HydrophobicContact CD2-CD2 3.45Å; L151-L164 VanDerWaalsContact CD2-CD2 3.45Å; I161-L164 HydrophobicContact CG2-CD1 3.64Å; P162-L164 HydrophobicContact CG-CD2 3.92Å; P162-L164 HydrophobicContact CG-CG 4.12Å; P162-L164 WeakPolarHBondContact O-CG 3.48Å; P162-L164 PolarHBondContact O-N 3.44Å; L164-L168 HydrophobicContact CB-CD1 4.08Å; L164-L168 HydrophobicContact CD2-CD1 3.68Å; L164-L168 HydrophobicContact CG-CD1 4.39Å; L164-L171 HydrophobicContact CD1-CD2 3.44Å; L164-L171 VanDerWaalsContact CD1-CD2 3.44Å; L164-L171 HydrophobicContact CD2-CD1 3.92Å; L164-L171 HydrophobicContact CD2-CD2 4.19Å; L164-L171 HydrophobicContact CG-CD2 4.45Å; L164-L189 HydrophobicContact CB-CD1 4.5Å; L164-L189 HydrophobicContact CB-CD2 3.96Å; L164-L189 HydrophobicContact CD1-CD1 3.91Å
165	P	94.5	Very high	96.4	Very high	3 Å²	3	39.5 Å²	39.5	2%	0.019	21%	0.209	C	C	.	.			trans	-77.4	146.9	172.3	30.9	-30.8	0	0	0	111.2	L142 F145 L148 S167 L168 L189	L142-P165 WeakPolarHBondContact O-CD 3.38Å; L142-P165 WeakPolarHBondContact O-CG 3.01Å; F145-P165 VanDerWaalsContact O-CB 3.25Å; F145-P165 WeakPolarHBondContact O-CB 3.37Å; F145-P165 WeakPolarHBondContact O-CG 3.43Å; L148-P165 HydrophobicContact CB-CG 4.22Å; L148-P165 HydrophobicContact CD2-CG 4.32Å; P165-S167 PolarHBondContact O-N 2.66Å; P165-L168 HydrophobicContact CG-CD1 4.33Å; P165-L168 HydrophobicContact CG-CG 4.11Å; P165-L189 VanDerWaalsContact O-CD2 3.25Å; P165-L189 WeakPolarHBondContact O-CD2 3.07Å
166	S	94.9	Very high	96.4	Very high	73 Å²	73	35.5 Å²	35.5	51%	0.51	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-7.8	-178.8	52.3	0	0	0	0	114.8	L168 G188 N191	S166-L168 VanDerWaalsContact C-N 3.3Å; S166-L168 PolarHBondContact O-N 2.99Å; S166-G188 WeakPolarHBondContact CB-O 3.42Å; S166-N191 PolarHBondContact O-ND2 3.17Å
167	S	95.9	Very high	96.5	Very high	23 Å²	23	40.2 Å²	40.2	16%	0.161	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-6.3	179.9	56.9	0	0	0	0	114.5	R146 L148 P165	R146-S167 VanDerWaalsContact O-CB 3.22Å; R146-S167 WeakPolarHBondContact O-CB 3.35Å; R146-S167 PolarHBondContact O-OG 3.38Å; L148-S167 PolarHBondContact N-OG 3.32Å; L148-S167 CarbonylContact O-C 3Å; L148-S167 WeakPolarHBondContact O-CB 3.34Å; L148-S167 VanDerWaalsContact O-O 3.12Å; L148-S167 PolarHBondContact O-OG 3.18Å; P165-S167 PolarHBondContact O-N 2.66Å
168	L	97.7	Very high	96.5	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.189	C	C	.	.			trans	-68.2	137.4	-174.8	-72.5	173.7	0	0	0	112.8	L148 L151 L164 P165 S166 L171 N191 L192	L148-L168 HydrophobicContact CB-CD2 4.33Å; L148-L168 HydrophobicContact CD2-CD2 4Å; L148-L168 HydrophobicContact CG-CD2 3.86Å; L148-L168 PolarHBondContact O-N 3.14Å; L151-L168 HydrophobicContact CB-CD1 4.42Å; L151-L168 HydrophobicContact CB-CD2 3.74Å; L151-L168 HydrophobicContact CD2-CD1 4.25Å; L164-L168 HydrophobicContact CB-CD1 4.08Å; L164-L168 HydrophobicContact CD2-CD1 3.68Å; L164-L168 HydrophobicContact CG-CD1 4.39Å; P165-L168 HydrophobicContact CG-CD1 4.33Å; P165-L168 HydrophobicContact CG-CG 4.11Å; S166-L168 VanDerWaalsContact C-N 3.3Å; S166-L168 PolarHBondContact O-N 2.99Å; L168-L171 HydrophobicContact CD1-CD1 4.48Å; L168-N191 CarbonylContact O-C 3.57Å; L168-N191 VanDerWaalsContact O-C 3.32Å; L168-L192 HydrophobicContact CB-CD1 3.87Å; L168-L192 VanDerWaalsContact O-CA 3.26Å; L168-L192 WeakPolarHBondContact O-CA 3.28Å; L168-L192 PolarHBondContact O-N 2.86Å
169	N	98.4	Very high	96.5	Very high	47 Å²	47	38.4 Å²	38.4	25%	0.251	21%	0.209	S	C	.	.	S	Bend	trans	-109	-33.1	171.2	-67.4	-5.5	0	0	0	111.5	R149 N191 L193 V194	R149-N169 PolarHBondContact O-N 3.46Å; N169-N191 PolarHBondContact OD1-O 2.79Å; N169-L193 HydrophobicContact CB-CD1 4.37Å; N169-L193 HydrophobicContact CB-CG 4.37Å; N169-L193 WeakPolarHBondContact O-CA 3.27Å; N169-L193 WeakPolarHBondContact O-CB 3.43Å; N169-L193 PolarHBondContact O-N 3.02Å; N169-V194 PolarHBondContact O-N 3.37Å; N169-V194 VanDerWaalsContact O-N 3.07Å
170	F	98.7	Very high	96.5	Very high	74 Å²	74	38.4 Å²	38.4	33%	0.325	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	127	-179.8	178.5	-85.3	0	0	0	109.9	R149 N150 L151 N172 V194	R149-F170 PolarHBondContact O-N 2.96Å; N150-F170 HydrophobicContact CB-CB 4.42Å; L151-F170 PolarHBondContact N-O 2.76Å; F170-N172 HydrophobicContact CE1-CB 3.68Å; F170-N172 HydrophobicContact CZ-CB 3.98Å; F170-V194 HydrophobicContact CD2-CB 3.7Å; F170-V194 HydrophobicContact CD2-CG1 3.86Å; F170-V194 HydrophobicContact CD2-CG2 4.27Å; F170-V194 HydrophobicContact CE2-CB 4.19Å; F170-V194 HydrophobicContact CE2-CG1 3.8Å
171	L	98.5	Very high	96.4	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	114.6	177.9	177.4	58.1	0	0	0	110.5	L151 L164 L168 L173 L189 L192 V194 L195 D196	L151-L171 HydrophobicContact CB-CD1 4.14Å; L151-L171 HydrophobicContact CD2-CD1 3.9Å; L151-L171 HydrophobicContact CG-CD1 4.09Å; L151-L171 WeakPolarHBondContact O-CA 3.26Å; L164-L171 HydrophobicContact CD1-CD2 3.44Å; L164-L171 VanDerWaalsContact CD1-CD2 3.44Å; L164-L171 HydrophobicContact CD2-CD1 3.92Å; L164-L171 HydrophobicContact CD2-CD2 4.19Å; L164-L171 HydrophobicContact CG-CD2 4.45Å; L168-L171 HydrophobicContact CD1-CD1 4.48Å; L171-L173 HydrophobicContact CD1-CD1 4.06Å; L171-L173 HydrophobicContact CD1-CD2 4.3Å; L171-L173 HydrophobicContact CD1-CG 3.83Å; L171-L173 HydrophobicContact CD2-CD1 3.84Å; L171-L173 HydrophobicContact CD2-CG 4.45Å; L171-L173 HydrophobicContact CG-CD1 3.93Å; L171-L173 HydrophobicContact CG-CG 3.99Å; L171-L189 HydrophobicContact CD2-CD1 4.38Å; L171-L192 HydrophobicContact CB-CD1 3.76Å; L171-L192 HydrophobicContact CB-CD2 4.38Å; L171-V194 PolarHBondContact N-O 3.19Å; L171-L195 HydrophobicContact CB-CD1 4.18Å; L171-L195 HydrophobicContact CD2-CD1 3.84Å; L171-L195 HydrophobicContact CG-CD1 3.98Å; L171-L195 WeakPolarHBondContact O-CA 3.35Å; L171-D196 PolarHBondContact O-N 3.25Å
172	N	98.7	Very high	96.4	Very high	17 Å²	17	32.9 Å²	32.9	9%	0.091	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	114.4	172.8	-174	1.8	0	0	0	110.4	L151 D152 L153 S154 F170 S174 D196	L151-N172 PolarHBondContact O-N 3.02Å; D152-N172 HydrophobicContact CB-CB 4.36Å; D152-N172 PolarHBondContact OD1-ND2 3.33Å; D152-N172 PolarHBondContact OD2-ND2 2.95Å; L153-N172 PolarHBondContact N-O 3.1Å; S154-N172 PolarHBondContact N-O 3.15Å; F170-N172 HydrophobicContact CE1-CB 3.68Å; F170-N172 HydrophobicContact CZ-CB 3.98Å; N172-S174 VanDerWaalsContact OD1-CB 3.29Å; N172-S174 WeakPolarHBondContact OD1-CB 3.47Å; N172-S174 PolarHBondContact OD1-N 3.15Å; N172-S174 PolarHBondContact OD1-OG 3.44Å; N172-D196 HydrophobicContact CB-CB 4.5Å
173	L	98.3	Very high	96.3	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.204	C	C	.	.			trans	-120.9	18	176.1	-69.8	169.7	0	0	0	111.1	L153 L158 I161 P162 L171 N176 D196 L197 N200	L153-L173 HydrophobicContact CB-CD2 3.79Å; L153-L173 HydrophobicContact CD1-CD2 4.13Å; L158-L173 HydrophobicContact CD1-CD2 3.72Å; I161-L173 HydrophobicContact CD1-CD1 3.56Å; I161-L173 HydrophobicContact CG2-CD1 4.17Å; P162-L173 HydrophobicContact CG-CD2 4.18Å; L171-L173 HydrophobicContact CD1-CD1 4.06Å; L171-L173 HydrophobicContact CD1-CD2 4.3Å; L171-L173 HydrophobicContact CD1-CG 3.83Å; L171-L173 HydrophobicContact CD2-CD1 3.84Å; L171-L173 HydrophobicContact CD2-CG 4.45Å; L171-L173 HydrophobicContact CG-CD1 3.93Å; L171-L173 HydrophobicContact CG-CG 3.99Å; L173-N176 PolarHBondContact O-ND2 3.24Å; L173-D196 CarbonylContact C-O 3.6Å; L173-D196 WeakPolarHBondContact CA-O 3.31Å; L173-D196 PolarHBondContact N-O 2.94Å; L173-L197 HydrophobicContact CB-CD2 3.79Å; L173-L197 HydrophobicContact CD1-CD2 4.11Å; L173-N200 PolarHBondContact O-ND2 3.18Å
174	S	98.5	Very high	96.3	Very high	10 Å²	10	42.1 Å²	42.1	7%	0.07	22%	0.218	C	C	.	.			trans	-62.5	156.6	-178.2	64.2	0	0	0	0	112.8	S154 F155 N172 N176 D196 S198	S154-S174 CarbonylContact C-O 3.41Å; S154-S174 WeakPolarHBondContact CA-O 3.49Å; S154-S174 WeakPolarHBondContact CB-O 2.89Å; S154-S174 WeakPolarHBondContact CB-OG 3.21Å; F155-S174 PolarHBondContact N-O 2.89Å; N172-S174 VanDerWaalsContact OD1-CB 3.29Å; N172-S174 WeakPolarHBondContact OD1-CB 3.47Å; N172-S174 PolarHBondContact OD1-N 3.15Å; N172-S174 PolarHBondContact OD1-OG 3.44Å; S174-N176 VanDerWaalsContact C-N 3.3Å; S174-N176 PolarHBondContact O-N 3.15Å; S174-N176 PolarHBondContact O-ND2 3.43Å; S174-D196 PolarHBondContact N-O 2.88Å; S174-S198 CarbonylContact C-O 3.3Å; S174-S198 WeakPolarHBondContact CA-O 3.48Å; S174-S198 VanDerWaalsContact CB-O 3.28Å; S174-S198 WeakPolarHBondContact CB-O 3.42Å
175	S	98.3	Very high	96.3	Very high	30 Å²	30	43.3 Å²	43.3	21%	0.21	23%	0.225	C	C	.	.	S	Bend	trans	56.4	41.4	178	-59	0	0	0	0	113.5	F155 S198 Y199	F155-S175 WeakPolarHBondContact CA-O 3.08Å; F155-S175 WeakPolarHBondContact CE1-OG 3.47Å; F155-S175 PolarHBondContact N-O 3.25Å; S175-S198 PolarHBondContact N-O 2.88Å; S175-Y199 WeakPolarHBondContact CA-O 3.46Å
176	N	98.1	Very high	96.3	Very high	8 Å²	8	43.2 Å²	43.2	4%	0.043	22%	0.224	C	C	.	.	S	Bend	trans	-110.8	-158.5	173.1	-86.1	-76.2	0	0	0	110.6	L153 N156 K157 L158 L173 S174 V178 N200	L153-N176 PolarHBondContact O-ND2 3.04Å; N156-N176 VanDerWaalsContact CA-OD1 3.25Å; N156-N176 WeakPolarHBondContact CA-OD1 3.35Å; N156-N176 WeakPolarHBondContact CB-OD1 3.45Å; N156-N176 PolarHBondContact N-OD1 3.27Å; N156-N176 PolarHBondContact O-OD1 2.99Å; K157-N176 PolarHBondContact N-OD1 2.94Å; L158-N176 HydrophobicContact CB-CB 4.18Å; L158-N176 WeakPolarHBondContact CB-OD1 3.46Å; L158-N176 WeakPolarHBondContact CG-OD1 3.47Å; L158-N176 PolarHBondContact N-OD1 3.24Å; L173-N176 PolarHBondContact O-ND2 3.24Å; S174-N176 VanDerWaalsContact C-N 3.3Å; S174-N176 PolarHBondContact O-N 3.15Å; S174-N176 PolarHBondContact O-ND2 3.43Å; N176-V178 HydrophobicContact CB-CG2 4.4Å; N176-N200 VanDerWaalsContact CA-OD1 3.3Å; N176-N200 WeakPolarHBondContact CA-OD1 3.36Å; N176-N200 WeakPolarHBondContact CB-OD1 3.49Å; N176-N200 PolarHBondContact N-OD1 3.47Å; N176-N200 PolarHBondContact O-OD1 3.06Å
177	R	97.3	Very high	96.2	Very high	109 Å²	109	42.9 Å²	42.9	41%	0.411	22%	0.222	S	C	.	.			trans	-122.4	21.2	-176.9	-57.4	176.4	-179.9	-173.8	-3.6	112.6	L158 S179 N200	L158-R177 CarbonylContact O-C 3.56Å; L158-R177 VanDerWaalsContact O-C 3.23Å; L158-R177 VanDerWaalsContact O-CA 3.26Å; L158-R177 WeakPolarHBondContact O-CA 3.25Å; L158-R177 WeakPolarHBondContact O-CB 3.32Å; L158-R177 PolarHBondContact O-N 2.95Å; R177-S179 PolarHBondContact O-N 3.18Å; R177-N200 PolarHBondContact N-OD1 3.42Å
178	V	97	Very high	96	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.006	23%	0.23	C	C	.	.			trans	-65.3	127.2	-177.9	-173.3	0	0	0	0	109.4	L158 I161 N176 L181 N200 R201 L202	L158-V178 PolarHBondContact O-N 3.43Å; I161-V178 HydrophobicContact CD1-CG1 4.01Å; I161-V178 HydrophobicContact CD1-CG2 4.14Å; I161-V178 HydrophobicContact CG1-CG1 4.24Å; N176-V178 HydrophobicContact CB-CG2 4.4Å; V178-L181 HydrophobicContact CG1-CD2 4.34Å; V178-N200 HydrophobicContact CB-CB 4.35Å; V178-N200 WeakPolarHBondContact CB-OD1 3.47Å; V178-N200 WeakPolarHBondContact CG2-OD1 3.34Å; V178-N200 PolarHBondContact N-OD1 3.43Å; V178-R201 CarbonylContact O-C 3.54Å; V178-R201 VanDerWaalsContact O-CA 3.31Å; V178-R201 WeakPolarHBondContact O-CA 3.46Å; V178-R201 PolarHBondContact O-N 3Å; V178-L202 HydrophobicContact CB-CD2 4.3Å; V178-L202 HydrophobicContact CG1-CD2 3.78Å; V178-L202 PolarHBondContact O-N 3.38Å; V178-L202 VanDerWaalsContact O-N 3.16Å
179	S	95.3	Very high	95.9	Very high	61 Å²	61	43.4 Å²	43.4	43%	0.427	23%	0.23	S	C	.	.			trans	-109.3	-19.6	-172.6	58.4	0	0	0	0	114.9	R177 R201 L202 V203	R177-S179 PolarHBondContact O-N 3.18Å; S179-R201 WeakPolarHBondContact CA-O 3.48Å; S179-L202 WeakPolarHBondContact O-CA 3.16Å; S179-V203 PolarHBondContact O-N 3.28Å
180	S	94.1	Very high	95.7	Very high	55 Å²	55	44 Å²	44	39%	0.385	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	151.7	179.3	57.8	0	0	0	0	111.3	R204	S180-R204 WeakPolarHBondContact CA-O 3.43Å
181	L	94.4	Very high	95.7	Very high	2 Å²	2	44.3 Å²	44.3	1%	0.01	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	134.7	169.8	-64.9	171.3	0	0	0	110.5	I161 V178 L197 L202 R204 V205 S206 A209 F210	I161-L181 HydrophobicContact CD1-CD2 3.79Å; I161-L181 HydrophobicContact CG1-CD2 3.67Å; V178-L181 HydrophobicContact CG1-CD2 4.34Å; L181-L197 HydrophobicContact CD1-CD1 3.66Å; L181-L197 HydrophobicContact CD2-CD1 4.12Å; L181-L202 HydrophobicContact CD1-CD1 3.85Å; L181-L202 HydrophobicContact CD1-CD2 4.25Å; L181-L202 HydrophobicContact CD2-CD2 4.32Å; L181-L202 HydrophobicContact CG-CD1 4.27Å; L181-L202 HydrophobicContact CG-CD2 3.74Å; L181-R204 PolarHBondContact N-O 3.43Å; L181-R204 VanDerWaalsContact N-O 3.16Å; L181-V205 HydrophobicContact CB-CG1 4.41Å; L181-V205 HydrophobicContact CB-CG2 4.46Å; L181-V205 HydrophobicContact CD1-CG2 4.17Å; L181-S206 PolarHBondContact O-N 3.18Å; L181-A209 HydrophobicContact CB-CB 4.03Å; L181-F210 HydrophobicContact CD1-CE1 3.84Å; L181-F210 HydrophobicContact CD1-CZ 3.69Å
182	T	93.3	Very high	95.6	Very high	57 Å²	57	44.3 Å²	44.3	35%	0.35	24%	0.241	S	C	.	.			trans	-126.5	163.1	173.5	69.7	0	0	0	0	110.3	K184 D185 S206	T182-K184 PolarHBondContact O-N 3.05Å; T182-K184 VanDerWaalsContact O-N 3.11Å; T182-D185 WeakPolarHBondContact CA-OD2 3.37Å; T182-D185 WeakPolarHBondContact CB-OD2 3.43Å; T182-D185 PolarHBondContact N-OD2 2.73Å; T182-D185 WeakPolarHBondContact O-CB 3.42Å; T182-D185 PolarHBondContact O-N 3.26Å; T182-D185 VanDerWaalsContact O-N 3.11Å; T182-D185 PolarHBondContact OG1-OD2 3.17Å; T182-S206 WeakPolarHBondContact CA-OG 3.37Å
183	R	92.9	Very high	95.6	Very high	118 Å²	118	46.2 Å²	46.2	45%	0.445	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-31.8	176.6	-178.6	176.3	174.3	-149.5	-0.1	114.3	S187 D208 H212	R183-S187 PolarHBondContact O-N 3.02Å; R183-D208 HydrophobicContact CB-CB 4.36Å; R183-D208 WeakPolarHBondContact CB-O 3.42Å; R183-D208 WeakPolarHBondContact CB-OD2 3.46Å; R183-D208 VanDerWaalsContact CD-OD2 3.22Å; R183-D208 WeakPolarHBondContact CD-OD2 3.4Å; R183-H212 PolarHBondContact NE-NE2 3.24Å; R183-H212 PolarHBondContact NH2-NE2 3.32Å
184	K	92.7	Very high	95.6	Very high	179 Å²	179	48.1 Å²	48.1	78%	0.778	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-35.2	-178.4	-68.6	-173.6	179.9	-177.9	0	112.1	T182 L186 S187	T182-K184 PolarHBondContact O-N 3.05Å; T182-K184 VanDerWaalsContact O-N 3.11Å; K184-L186 VanDerWaalsContact C-N 3.28Å; K184-L186 PolarHBondContact O-N 2.91Å; K184-S187 WeakPolarHBondContact O-CB 3.38Å; K184-S187 PolarHBondContact O-N 3.04Å; K184-S187 PolarHBondContact O-OG 3.4Å
185	D	94	Very high	95.7	Very high	43 Å²	43	47.6 Å²	47.6	23%	0.23	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-33.8	-174.3	-62.8	-46.2	0	0	0	112.6	I161 T182	I161-D185 HydrophobicContact CB-CB 3.91Å; I161-D185 HydrophobicContact CG1-CB 3.88Å; I161-D185 HydrophobicContact CG2-CB 4.4Å; I161-D185 WeakPolarHBondContact CG2-O 3.49Å; T182-D185 WeakPolarHBondContact CA-OD2 3.37Å; T182-D185 WeakPolarHBondContact CB-OD2 3.43Å; T182-D185 PolarHBondContact N-OD2 2.73Å; T182-D185 WeakPolarHBondContact O-CB 3.42Å; T182-D185 PolarHBondContact O-N 3.26Å; T182-D185 VanDerWaalsContact O-N 3.11Å; T182-D185 PolarHBondContact OG1-OD2 3.17Å
186	L	95.1	Very high	95.7	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.005	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116	24.9	-178	-59.4	171.2	0	0	0	111.9	I161 K184 L189 L195 F210 L213	I161-L186 HydrophobicContact CG2-CD2 4.06Å; K184-L186 VanDerWaalsContact C-N 3.28Å; K184-L186 PolarHBondContact O-N 2.91Å; L186-L189 HydrophobicContact CB-CD1 4.26Å; L186-L189 HydrophobicContact CD2-CD1 3.88Å; L186-L195 HydrophobicContact CD1-CD2 3.78Å; L186-L195 HydrophobicContact CD2-CD2 4.28Å; L186-F210 HydrophobicContact CD1-CD1 3.76Å; L186-F210 HydrophobicContact CD1-CE1 3.81Å; L186-L213 HydrophobicContact CB-CD2 4.34Å; L186-L213 HydrophobicContact CD1-CD1 4.18Å
187	S	92.8	Very high	95.7	Very high	66 Å²	66	47 Å²	47	46%	0.462	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	137.4	-175.5	62.9	0	0	0	0	112.4	R183 K184 L189	R183-S187 PolarHBondContact O-N 3.02Å; K184-S187 WeakPolarHBondContact O-CB 3.38Å; K184-S187 PolarHBondContact O-N 3.04Å; K184-S187 PolarHBondContact O-OG 3.4Å; S187-L189 VanDerWaalsContact C-N 3.26Å; S187-L189 PolarHBondContact O-N 3.07Å
188	G	91.3	Very high	95.8	Very high	32 Å²	32	42.2 Å²	42.2	33%	0.33	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.9	-2.9	175.6	0	0	0	0	0	115.8	S166 T190 H212	S166-G188 WeakPolarHBondContact CB-O 3.42Å; G188-T190 PolarHBondContact O-N 3.13Å; G188-H212 PolarHBondContact N-ND1 2.7Å
189	L	95.7	Very high	95.8	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.005	26%	0.257	C	S	.	.			trans	-78.2	53.4	178.9	-57.7	-178.9	0	0	0	112.3	L164 P165 L171 L186 S187 N191 L192 L213	L164-L189 HydrophobicContact CB-CD1 4.5Å; L164-L189 HydrophobicContact CB-CD2 3.96Å; L164-L189 HydrophobicContact CD1-CD1 3.91Å; P165-L189 VanDerWaalsContact O-CD2 3.25Å; P165-L189 WeakPolarHBondContact O-CD2 3.07Å; L171-L189 HydrophobicContact CD2-CD1 4.38Å; L186-L189 HydrophobicContact CB-CD1 4.26Å; L186-L189 HydrophobicContact CD2-CD1 3.88Å; S187-L189 VanDerWaalsContact C-N 3.26Å; S187-L189 PolarHBondContact O-N 3.07Å; L189-N191 VanDerWaalsContact C-N 3.27Å; L189-N191 PolarHBondContact O-N 2.88Å; L189-L192 HydrophobicContact CB-CB 4.16Å; L189-L192 HydrophobicContact CB-CD2 4.48Å; L189-L192 HydrophobicContact CD1-CD2 4.23Å; L189-L192 WeakPolarHBondContact O-CB 3.33Å; L189-L192 PolarHBondContact O-N 2.91Å; L189-L213 HydrophobicContact CB-CD2 3.6Å; L189-L213 HydrophobicContact CD1-CD2 4.48Å; L189-L213 WeakPolarHBondContact O-CD2 3.44Å
190	T	95.8	Very high	96	Very high	61 Å²	61	45 Å²	45	37%	0.374	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-21.4	-172.8	55.7	0	0	0	0	113.9	G188 H212 A215	G188-T190 PolarHBondContact O-N 3.13Å; T190-H212 WeakPolarHBondContact CA-O 3.35Å; T190-A215 WeakPolarHBondContact O-CB 3.3Å
191	N	96.8	Very high	96.1	Very high	80 Å²	80	48.9 Å²	48.9	43%	0.428	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-3.2	-179.7	-58.9	-47.5	0	0	0	113.3	S166 L168 N169 L189 L193	S166-N191 PolarHBondContact O-ND2 3.17Å; L168-N191 CarbonylContact O-C 3.57Å; L168-N191 VanDerWaalsContact O-C 3.32Å; N169-N191 PolarHBondContact OD1-O 2.79Å; L189-N191 VanDerWaalsContact C-N 3.27Å; L189-N191 PolarHBondContact O-N 2.88Å; N191-L193 PolarHBondContact O-N 2.85Å
192	L	98.2	Very high	96.2	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.244	C	C	.	.			trans	-66.5	126.8	-174.6	-164.2	72.9	0	0	0	110.2	L168 L171 L189 L195 L213 A215 L216	L168-L192 HydrophobicContact CB-CD1 3.87Å; L168-L192 VanDerWaalsContact O-CA 3.26Å; L168-L192 WeakPolarHBondContact O-CA 3.28Å; L168-L192 PolarHBondContact O-N 2.86Å; L171-L192 HydrophobicContact CB-CD1 3.76Å; L171-L192 HydrophobicContact CB-CD2 4.38Å; L189-L192 HydrophobicContact CB-CB 4.16Å; L189-L192 HydrophobicContact CB-CD2 4.48Å; L189-L192 HydrophobicContact CD1-CD2 4.23Å; L189-L192 WeakPolarHBondContact O-CB 3.33Å; L189-L192 PolarHBondContact O-N 2.91Å; L192-L195 HydrophobicContact CD2-CB 3.91Å; L192-L195 HydrophobicContact CD2-CD1 4.32Å; L192-L195 HydrophobicContact CD2-CD2 4.4Å; L192-L195 HydrophobicContact CD2-CG 4.45Å; L192-L213 HydrophobicContact CB-CD2 4.32Å; L192-L213 HydrophobicContact CD2-CD2 4.04Å; L192-A215 CarbonylContact O-C 3.57Å; L192-A215 VanDerWaalsContact O-C 3.26Å; L192-L216 HydrophobicContact CB-CD1 4.35Å; L192-L216 HydrophobicContact CD2-CD1 4.05Å; L192-L216 HydrophobicContact CG-CD1 4.03Å; L192-L216 WeakPolarHBondContact O-CA 3.49Å; L192-L216 PolarHBondContact O-N 3.4Å; L192-L216 VanDerWaalsContact O-N 3.11Å
193	L	98.5	Very high	96.3	Very high	57 Å²	57	50 Å²	50	30%	0.298	25%	0.252	S	S	.	.			trans	-103.3	-36.7	-178.7	-56.9	-179	0	0	0	111.8	N169 N191 A215 K217 S218	N169-L193 HydrophobicContact CB-CD1 4.37Å; N169-L193 HydrophobicContact CB-CG 4.37Å; N169-L193 WeakPolarHBondContact O-CA 3.27Å; N169-L193 WeakPolarHBondContact O-CB 3.43Å; N169-L193 PolarHBondContact O-N 3.02Å; N191-L193 PolarHBondContact O-N 2.85Å; L193-A215 HydrophobicContact CD2-CB 4.07Å; L193-A215 VanDerWaalsContact CD2-O 3.31Å; L193-A215 WeakPolarHBondContact CD2-O 3.39Å; L193-K217 HydrophobicContact CD2-CG 4.49Å; L193-K217 WeakPolarHBondContact O-CA 3.28Å; L193-K217 PolarHBondContact O-N 3.31Å; L193-S218 PolarHBondContact O-N 3.13Å
194	V	98.7	Very high	96	Very high	39 Å²	39	53.8 Å²	53.8	24%	0.236	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	127.2	-178.8	-177.4	0	0	0	0	109.7	N169 F170 L171 S218	N169-V194 PolarHBondContact O-N 3.37Å; N169-V194 VanDerWaalsContact O-N 3.07Å; F170-V194 HydrophobicContact CD2-CB 3.7Å; F170-V194 HydrophobicContact CD2-CG1 3.86Å; F170-V194 HydrophobicContact CD2-CG2 4.27Å; F170-V194 HydrophobicContact CE2-CB 4.19Å; F170-V194 HydrophobicContact CE2-CG1 3.8Å; L171-V194 PolarHBondContact N-O 3.19Å; V194-S218 WeakPolarHBondContact CA-O 3.18Å
195	L	98.6	Very high	96	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	115	174.5	176.6	56.3	0	0	0	109.6	L171 L186 L192 L197 F210 L213 L216 S218 L219 L220	L171-L195 HydrophobicContact CB-CD1 4.18Å; L171-L195 HydrophobicContact CD2-CD1 3.84Å; L171-L195 HydrophobicContact CG-CD1 3.98Å; L171-L195 WeakPolarHBondContact O-CA 3.35Å; L186-L195 HydrophobicContact CD1-CD2 3.78Å; L186-L195 HydrophobicContact CD2-CD2 4.28Å; L192-L195 HydrophobicContact CD2-CB 3.91Å; L192-L195 HydrophobicContact CD2-CD1 4.32Å; L192-L195 HydrophobicContact CD2-CD2 4.4Å; L192-L195 HydrophobicContact CD2-CG 4.45Å; L195-L197 HydrophobicContact CD1-CD1 4.1Å; L195-L197 HydrophobicContact CD1-CG 4.01Å; L195-L197 HydrophobicContact CD2-CD1 3.85Å; L195-L197 HydrophobicContact CG-CD1 3.94Å; L195-L197 HydrophobicContact CG-CG 4.16Å; L195-F210 HydrophobicContact CD2-CE1 4.26Å; L195-L213 HydrophobicContact CD2-CD1 3.79Å; L195-L216 HydrophobicContact CB-CD1 3.86Å; L195-S218 PolarHBondContact N-O 2.82Å; L195-L219 HydrophobicContact CB-CD1 4.03Å; L195-L219 HydrophobicContact CD2-CD1 3.85Å; L195-L219 HydrophobicContact CG-CD1 3.96Å; L195-L220 PolarHBondContact O-N 2.04Å
196	D	98.8	Very high	95.9	Very high	25 Å²	25	45.7 Å²	45.7	13%	0.134	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	115.8	173.7	-171.1	-2.5	0	0	0	111.1	L171 N172 L173 S174 S198 L220	L171-D196 PolarHBondContact O-N 3.25Å; N172-D196 HydrophobicContact CB-CB 4.5Å; L173-D196 CarbonylContact C-O 3.6Å; L173-D196 WeakPolarHBondContact CA-O 3.31Å; L173-D196 PolarHBondContact N-O 2.94Å; S174-D196 PolarHBondContact N-O 2.88Å; D196-S198 WeakPolarHBondContact OD1-CB 3.39Å; D196-S198 PolarHBondContact OD1-N 2.65Å; D196-S198 PolarHBondContact OD1-OG 3.01Å; D196-L220 HydrophobicContact CB-CB 4.31Å; D196-L220 HydrophobicContact CB-CD1 4.14Å
197	L	98.4	Very high	95.7	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.246	C	C	.	.			trans	-121.2	20.2	176.2	-75.9	165.3	0	0	0	111.4	I161 L173 L181 L195 N200 L202 L220 L221 N224	I161-L197 HydrophobicContact CD1-CD2 3.62Å; L173-L197 HydrophobicContact CB-CD2 3.79Å; L173-L197 HydrophobicContact CD1-CD2 4.11Å; L181-L197 HydrophobicContact CD1-CD1 3.66Å; L181-L197 HydrophobicContact CD2-CD1 4.12Å; L195-L197 HydrophobicContact CD1-CD1 4.1Å; L195-L197 HydrophobicContact CD1-CG 4.01Å; L195-L197 HydrophobicContact CD2-CD1 3.85Å; L195-L197 HydrophobicContact CG-CD1 3.94Å; L195-L197 HydrophobicContact CG-CG 4.16Å; L197-N200 WeakPolarHBondContact O-CB 3.48Å; L197-N200 PolarHBondContact O-ND2 3.38Å; L197-L202 HydrophobicContact CB-CD1 4.27Å; L197-L220 CarbonylContact C-O 3.51Å; L197-L220 PolarHBondContact N-O 3.37Å; L197-L221 HydrophobicContact CB-CD2 3.86Å; L197-L221 HydrophobicContact CD1-CD2 4.2Å; L197-N224 PolarHBondContact O-ND2 3.2Å
198	S	98.7	Very high	95.7	Very high	8 Å²	8	47 Å²	47	6%	0.056	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	151.6	-177.5	-53	0	0	0	0	112.1	S174 S175 D196 N200 L220 R222	S174-S198 CarbonylContact C-O 3.3Å; S174-S198 WeakPolarHBondContact CA-O 3.48Å; S174-S198 VanDerWaalsContact CB-O 3.28Å; S174-S198 WeakPolarHBondContact CB-O 3.42Å; S175-S198 PolarHBondContact N-O 2.88Å; D196-S198 WeakPolarHBondContact OD1-CB 3.39Å; D196-S198 PolarHBondContact OD1-N 2.65Å; D196-S198 PolarHBondContact OD1-OG 3.01Å; S198-N200 PolarHBondContact O-N 3.06Å; S198-N200 PolarHBondContact O-ND2 3.09Å; S198-L220 PolarHBondContact N-O 3.2Å; S198-L220 WeakPolarHBondContact OG-CB 3.13Å; S198-R222 CarbonylContact C-O 3.27Å; S198-R222 WeakPolarHBondContact CA-O 3.37Å; S198-R222 WeakPolarHBondContact CB-O 3.3Å
199	Y	98.4	Very high	95.9	Very high	112 Å²	112	45.6 Å²	45.6	44%	0.439	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.4	34.9	177.5	-54.4	-74.3	0	0	0	114.2	S175 R222 G223	S175-Y199 WeakPolarHBondContact CA-O 3.46Å; Y199-R222 PolarHBondContact N-O 2.97Å; Y199-R222 PolarHBondContact OH-NE 3.16Å; Y199-G223 WeakPolarHBondContact CA-O 3.42Å
200	N	98.2	Very high	95.9	Very high	8 Å²	8	45.5 Å²	45.5	4%	0.043	23%	0.227	C	C	.	.	S	Bend	trans	-93.2	-161	168.3	-86.8	-78.9	0	0	0	110.1	L173 N176 R177 V178 L197 S198 L202 N224	L173-N200 PolarHBondContact O-ND2 3.18Å; N176-N200 VanDerWaalsContact CA-OD1 3.3Å; N176-N200 WeakPolarHBondContact CA-OD1 3.36Å; N176-N200 WeakPolarHBondContact CB-OD1 3.49Å; N176-N200 PolarHBondContact N-OD1 3.47Å; N176-N200 PolarHBondContact O-OD1 3.06Å; R177-N200 PolarHBondContact N-OD1 3.42Å; V178-N200 HydrophobicContact CB-CB 4.35Å; V178-N200 WeakPolarHBondContact CB-OD1 3.47Å; V178-N200 WeakPolarHBondContact CG2-OD1 3.34Å; V178-N200 PolarHBondContact N-OD1 3.43Å; L197-N200 WeakPolarHBondContact O-CB 3.48Å; L197-N200 PolarHBondContact O-ND2 3.38Å; S198-N200 PolarHBondContact O-N 3.06Å; S198-N200 PolarHBondContact O-ND2 3.09Å; N200-L202 HydrophobicContact CB-CG 4.24Å; N200-N224 VanDerWaalsContact CA-OD1 3.25Å; N200-N224 WeakPolarHBondContact CA-OD1 3.18Å; N200-N224 WeakPolarHBondContact CB-OD1 3.28Å; N200-N224 PolarHBondContact N-OD1 2.03Å; N200-N224 PolarHBondContact O-OD1 3.44Å
201	R	97.1	Very high	95.8	Very high	138 Å²	138	44.2 Å²	44.2	52%	0.521	22%	0.222	S	C	.	.			trans	-118.5	27.1	179.3	-60.4	178.7	-179.1	-177.1	-3.9	111.1	V178 S179 V203 N224	V178-R201 CarbonylContact O-C 3.54Å; V178-R201 VanDerWaalsContact O-CA 3.31Å; V178-R201 WeakPolarHBondContact O-CA 3.46Å; V178-R201 PolarHBondContact O-N 3Å; S179-R201 WeakPolarHBondContact CA-O 3.48Å; R201-V203 WeakPolarHBondContact O-CG2 3.45Å; R201-V203 PolarHBondContact O-N 3.48Å; R201-N224 PolarHBondContact N-OD1 2.82Å
202	L	96.6	Very high	95.7	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.214	C	C	.	.			trans	-61.2	121.1	-173.3	-64.5	174.1	0	0	0	110.3	V178 S179 L181 L197 N200 L221 N224 N225 L226	V178-L202 HydrophobicContact CB-CD2 4.3Å; V178-L202 HydrophobicContact CG1-CD2 3.78Å; V178-L202 PolarHBondContact O-N 3.38Å; V178-L202 VanDerWaalsContact O-N 3.16Å; S179-L202 WeakPolarHBondContact O-CA 3.16Å; L181-L202 HydrophobicContact CD1-CD1 3.85Å; L181-L202 HydrophobicContact CD1-CD2 4.25Å; L181-L202 HydrophobicContact CD2-CD2 4.32Å; L181-L202 HydrophobicContact CG-CD1 4.27Å; L181-L202 HydrophobicContact CG-CD2 3.74Å; L197-L202 HydrophobicContact CB-CD1 4.27Å; N200-L202 HydrophobicContact CB-CG 4.24Å; L202-L221 HydrophobicContact CD1-CD2 3.66Å; L202-N224 HydrophobicContact CB-CB 4.02Å; L202-N224 WeakPolarHBondContact CB-OD1 3.36Å; L202-N224 WeakPolarHBondContact CG-OD1 3.25Å; L202-N224 PolarHBondContact N-OD1 2.94Å; L202-N225 CarbonylContact O-C 3.52Å; L202-N225 WeakPolarHBondContact O-CA 3.22Å; L202-N225 WeakPolarHBondContact O-CB 3.37Å; L202-N225 PolarHBondContact O-N 3.2Å; L202-L226 HydrophobicContact CB-CD2 3.81Å; L202-L226 HydrophobicContact CB-CG 4.39Å; L202-L226 PolarHBondContact O-N 3.4Å
203	V	95.2	Very high	95.6	Very high	83 Å²	83	43.1 Å²	43.1	50%	0.503	21%	0.214	S	C	.	.			trans	-107.5	-34.4	174.8	-176.9	0	0	0	0	110.7	S179 R201 N225	S179-V203 PolarHBondContact O-N 3.28Å; R201-V203 WeakPolarHBondContact O-CG2 3.45Å; R201-V203 PolarHBondContact O-N 3.48Å; V203-N225 HydrophobicContact CG2-CB 4.11Å
204	R	87.3	Confident	95.3	Very high	197 Å²	197	44 Å²	44	74%	0.743	22%	0.222	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-134	136.7	-176.8	-64.3	-178.2	-178.8	160.7	-0.6	110.7	S180 L181	S180-R204 WeakPolarHBondContact CA-O 3.43Å; L181-R204 PolarHBondContact N-O 3.43Å; L181-R204 VanDerWaalsContact N-O 3.16Å
205	V	92.5	Very high	95.2	Very high	17 Å²	17	43.4 Å²	43.4	10%	0.103	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	125.1	171.1	177.4	0	0	0	0	105.7	L181 A209 F210 L226 P230	L181-V205 HydrophobicContact CB-CG1 4.41Å; L181-V205 HydrophobicContact CB-CG2 4.46Å; L181-V205 HydrophobicContact CD1-CG2 4.17Å; V205-A209 HydrophobicContact CG1-CB 3.63Å; V205-F210 HydrophobicContact CG1-CD2 4.3Å; V205-F210 HydrophobicContact CG1-CE2 3.53Å; V205-F210 HydrophobicContact CG1-CZ 3.94Å; V205-L226 HydrophobicContact CG2-CD2 3.61Å; V205-P230 WeakPolarHBondContact O-CG 3.46Å
206	S	91.9	Very high	95.2	Very high	35 Å²	35	43.5 Å²	43.5	25%	0.245	22%	0.221	C	C	.	.			trans	-66.6	149.6	174.9	72.1	0	0	0	0	110.3	L181 T182 D208 A209	L181-S206 PolarHBondContact O-N 3.18Å; T182-S206 WeakPolarHBondContact CA-OG 3.37Å; S206-D208 VanDerWaalsContact CB-OD1 3.28Å; S206-D208 WeakPolarHBondContact CB-OD1 3.07Å; S206-D208 PolarHBondContact O-N 3.49Å; S206-D208 PolarHBondContact OG-OD1 2.99Å; S206-A209 VanDerWaalsContact O-CB 3.3Å; S206-A209 WeakPolarHBondContact O-CB 3.49Å; S206-A209 PolarHBondContact O-N 2.92Å; S206-A209 PolarHBondContact OG-N 3.1Å
207	G	90.6	Very high	95.2	Very high	23 Å²	23	47.4 Å²	47.4	24%	0.237	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-17.3	179.6	0	0	0	0	0	114	E232 A233	G207-E232 CarbonylContact O-C 3.3Å; G207-E232 WeakPolarHBondContact O-CB 3.47Å; G207-E232 VanDerWaalsContact O-O 3.09Å; G207-A233 WeakPolarHBondContact O-CA 3.38Å; G207-A233 PolarHBondContact O-N 3.45Å
208	D	93	Very high	95.2	Very high	71 Å²	71	48 Å²	48	38%	0.38	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.1	10.1	178.9	67.1	-20.2	0	0	0	113.7	R183 S206 F210 A211	R183-D208 HydrophobicContact CB-CB 4.36Å; R183-D208 WeakPolarHBondContact CB-O 3.42Å; R183-D208 WeakPolarHBondContact CB-OD2 3.46Å; R183-D208 VanDerWaalsContact CD-OD2 3.22Å; R183-D208 WeakPolarHBondContact CD-OD2 3.4Å; S206-D208 VanDerWaalsContact CB-OD1 3.28Å; S206-D208 WeakPolarHBondContact CB-OD1 3.07Å; S206-D208 PolarHBondContact O-N 3.49Å; S206-D208 PolarHBondContact OG-OD1 2.99Å; D208-F210 PolarHBondContact O-N 3.32Å; D208-A211 HydrophobicContact CB-CB 4.4Å; D208-A211 VanDerWaalsContact O-CB 3.23Å; D208-A211 WeakPolarHBondContact O-CB 3.3Å; D208-A211 PolarHBondContact O-N 3.44Å; D208-A211 VanDerWaalsContact O-N 3.12Å
209	A	94.4	Very high	95.2	Very high	2 Å²	2	47.6 Å²	47.6	2%	0.017	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-35	-175.2	0	0	0	0	0	113.2	L181 V205 S206	L181-A209 HydrophobicContact CB-CB 4.03Å; V205-A209 HydrophobicContact CG1-CB 3.63Å; S206-A209 VanDerWaalsContact O-CB 3.3Å; S206-A209 WeakPolarHBondContact O-CB 3.49Å; S206-A209 PolarHBondContact O-N 2.92Å; S206-A209 PolarHBondContact OG-N 3.1Å
210	F	95.7	Very high	95.2	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.6	15.1	-177.6	-51	-63.7	0	0	0	113.2	L181 L186 L195 V205 D208 H212 L213 L219 L221 A233 F234 S236 L237	L181-F210 HydrophobicContact CD1-CE1 3.84Å; L181-F210 HydrophobicContact CD1-CZ 3.69Å; L186-F210 HydrophobicContact CD1-CD1 3.76Å; L186-F210 HydrophobicContact CD1-CE1 3.81Å; L195-F210 HydrophobicContact CD2-CE1 4.26Å; V205-F210 HydrophobicContact CG1-CD2 4.3Å; V205-F210 HydrophobicContact CG1-CE2 3.53Å; V205-F210 HydrophobicContact CG1-CZ 3.94Å; D208-F210 PolarHBondContact O-N 3.32Å; F210-H212 VanDerWaalsContact C-N 3.25Å; F210-H212 PolarHBondContact O-N 2.92Å; F210-H212 VanDerWaalsContact O-N 3.14Å; F210-L213 HydrophobicContact CB-CD1 4.18Å; F210-L213 HydrophobicContact CD1-CD1 3.72Å; F210-L213 HydrophobicContact CG-CD1 4.41Å; F210-L213 PolarHBondContact O-N 2.99Å; F210-L213 VanDerWaalsContact O-N 3.14Å; F210-L219 HydrophobicContact CD2-CD2 4.38Å; F210-L219 HydrophobicContact CE1-CD1 4.16Å; F210-L219 HydrophobicContact CE1-CD2 4.28Å; F210-L219 HydrophobicContact CE2-CD2 4.11Å; F210-L219 HydrophobicContact CZ-CD1 4.46Å; F210-L219 HydrophobicContact CZ-CD2 4.06Å; F210-L221 HydrophobicContact CZ-CD1 4.19Å; F210-A233 WeakPolarHBondContact CD2-O 3.25Å; F210-F234 AromaticContact CD2-CD1 3.87Å; F210-F234 HydrophobicContact CD2-CD1 3.87Å; F210-F234 AromaticContact CD2-CE1 3.92Å; F210-F234 HydrophobicContact CD2-CE1 3.92Å; F210-F234 HydrophobicContact CE2-CD1 4Å; F210-F234 AromaticContact CE2-CE1 3.54Å; F210-F234 HydrophobicContact CE2-CE1 3.54Å; F210-F234 HydrophobicContact CZ-CE1 4.5Å; F210-S236 PolarHBondContact O-OG 3.06Å; F210-L237 HydrophobicContact CB-CD1 4.17Å; F210-L237 HydrophobicContact CB-CD2 3.91Å; F210-L237 HydrophobicContact CB-CG 4.17Å; F210-L237 HydrophobicContact CG-CD1 4.46Å
211	A	94.4	Very high	95.2	Very high	34 Å²	34	43.6 Å²	43.6	28%	0.281	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-32.7	-171.7	0	0	0	0	0	114.5	D208 S236	D208-A211 HydrophobicContact CB-CB 4.4Å; D208-A211 VanDerWaalsContact O-CB 3.23Å; D208-A211 WeakPolarHBondContact O-CB 3.3Å; D208-A211 PolarHBondContact O-N 3.44Å; D208-A211 VanDerWaalsContact O-N 3.12Å; A211-S236 WeakPolarHBondContact CA-OG 3.48Å
212	H	94.3	Very high	95.2	Very high	56 Å²	56	41.9 Å²	41.9	26%	0.259	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93	-5.8	-177.3	-63.7	163	0	0	0	114.1	R183 G188 T190 F210 V214	R183-H212 PolarHBondContact NE-NE2 3.24Å; R183-H212 PolarHBondContact NH2-NE2 3.32Å; G188-H212 PolarHBondContact N-ND1 2.7Å; T190-H212 WeakPolarHBondContact CA-O 3.35Å; F210-H212 VanDerWaalsContact C-N 3.25Å; F210-H212 PolarHBondContact O-N 2.92Å; F210-H212 VanDerWaalsContact O-N 3.14Å; H212-V214 PolarHBondContact O-N 2.59Å
213	L	96.1	Very high	95.3	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.228	C	C	.	.			trans	-83.5	54.5	-176.1	-55.3	-172.8	0	0	0	111.9	L186 L189 L192 L195 F210 A215 L216 L237	L186-L213 HydrophobicContact CB-CD2 4.34Å; L186-L213 HydrophobicContact CD1-CD1 4.18Å; L189-L213 HydrophobicContact CB-CD2 3.6Å; L189-L213 HydrophobicContact CD1-CD2 4.48Å; L189-L213 WeakPolarHBondContact O-CD2 3.44Å; L192-L213 HydrophobicContact CB-CD2 4.32Å; L192-L213 HydrophobicContact CD2-CD2 4.04Å; L195-L213 HydrophobicContact CD2-CD1 3.79Å; F210-L213 HydrophobicContact CB-CD1 4.18Å; F210-L213 HydrophobicContact CD1-CD1 3.72Å; F210-L213 HydrophobicContact CG-CD1 4.41Å; F210-L213 PolarHBondContact O-N 2.99Å; F210-L213 VanDerWaalsContact O-N 3.14Å; L213-A215 VanDerWaalsContact C-N 3.28Å; L213-A215 PolarHBondContact O-N 3.47Å; L213-L216 HydrophobicContact CB-CB 3.98Å; L213-L216 HydrophobicContact CB-CD2 4.28Å; L213-L216 HydrophobicContact CD1-CD1 4.44Å; L213-L216 HydrophobicContact CD1-CD2 3.88Å; L213-L216 VanDerWaalsContact O-CB 3.32Å; L213-L216 WeakPolarHBondContact O-CB 3.35Å; L213-L216 PolarHBondContact O-N 2.75Å; L213-L237 HydrophobicContact CB-CD2 3.76Å; L213-L237 WeakPolarHBondContact O-CD2 3.36Å
214	V	93.4	Very high	95.4	Very high	76 Å²	76	39.2 Å²	39.2	46%	0.461	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-24.1	-170	-65.3	0	0	0	0	114.1	H212 M239	H212-V214 PolarHBondContact O-N 2.59Å; V214-M239 VanDerWaalsContact O-CG 3.26Å; V214-M239 WeakPolarHBondContact O-CG 3.33Å
215	A	96.4	Very high	95.9	Very high	27 Å²	27	32.2 Å²	32.2	22%	0.223	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.7	0.8	177.9	0	0	0	0	0	114	T190 L192 L193 L213 K217	T190-A215 WeakPolarHBondContact O-CB 3.3Å; L192-A215 CarbonylContact O-C 3.57Å; L192-A215 VanDerWaalsContact O-C 3.26Å; L193-A215 HydrophobicContact CD2-CB 4.07Å; L193-A215 VanDerWaalsContact CD2-O 3.31Å; L193-A215 WeakPolarHBondContact CD2-O 3.39Å; L213-A215 VanDerWaalsContact C-N 3.28Å; L213-A215 PolarHBondContact O-N 3.47Å; A215-K217 PolarHBondContact O-N 2.85Å
216	L	98	Very high	96	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.005	18%	0.18	C	C	.	.			trans	-65.6	129.4	-171.5	-162.6	76.3	0	0	0	111.5	L192 L195 L213 L219 L237 M239 L240	L192-L216 HydrophobicContact CB-CD1 4.35Å; L192-L216 HydrophobicContact CD2-CD1 4.05Å; L192-L216 HydrophobicContact CG-CD1 4.03Å; L192-L216 WeakPolarHBondContact O-CA 3.49Å; L192-L216 PolarHBondContact O-N 3.4Å; L192-L216 VanDerWaalsContact O-N 3.11Å; L195-L216 HydrophobicContact CB-CD1 3.86Å; L213-L216 HydrophobicContact CB-CB 3.98Å; L213-L216 HydrophobicContact CB-CD2 4.28Å; L213-L216 HydrophobicContact CD1-CD1 4.44Å; L213-L216 HydrophobicContact CD1-CD2 3.88Å; L213-L216 VanDerWaalsContact O-CB 3.32Å; L213-L216 WeakPolarHBondContact O-CB 3.35Å; L213-L216 PolarHBondContact O-N 2.75Å; L216-L219 HydrophobicContact CD2-CB 3.9Å; L216-L219 HydrophobicContact CD2-CD1 4.2Å; L216-L219 HydrophobicContact CD2-CG 4.43Å; L216-L237 HydrophobicContact CB-CD2 4.11Å; L216-L237 HydrophobicContact CD2-CD1 4.35Å; L216-L237 HydrophobicContact CD2-CD2 3.92Å; L216-M239 CarbonylContact O-C 3.56Å; L216-M239 VanDerWaalsContact O-O 3.12Å; L216-L240 HydrophobicContact CD2-CD1 4.07Å; L216-L240 HydrophobicContact CG-CD1 4.25Å; L216-L240 VanDerWaalsContact O-CA 3.27Å; L216-L240 WeakPolarHBondContact O-CA 3.48Å; L216-L240 PolarHBondContact O-N 3.13Å; L216-L240 VanDerWaalsContact O-N 3.09Å
217	K	98.3	Very high	95.9	Very high	107 Å²	107	30.9 Å²	30.9	47%	0.465	18%	0.176	S	C	.	.			trans	-107.2	-36.7	-179.6	-63.4	-173.8	177.3	-175.6	0	112.9	L193 A215 A241 E242	L193-K217 HydrophobicContact CD2-CG 4.49Å; L193-K217 WeakPolarHBondContact O-CA 3.28Å; L193-K217 PolarHBondContact O-N 3.31Å; A215-K217 PolarHBondContact O-N 2.85Å; K217-A241 WeakPolarHBondContact O-CA 3.38Å; K217-A241 PolarHBondContact O-N 3.43Å; K217-E242 PolarHBondContact O-N 2.99Å
218	S	98.6	Very high	95.7	Very high	12 Å²	12	35.4 Å²	35.4	8%	0.084	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	126.7	179.3	-177.2	0	0	0	0	110.6	L193 V194 L195 E242	L193-S218 PolarHBondContact O-N 3.13Å; V194-S218 WeakPolarHBondContact CA-O 3.18Å; L195-S218 PolarHBondContact N-O 2.82Å; S218-E242 WeakPolarHBondContact CA-O 3.32Å; S218-E242 PolarHBondContact OG-OE2 2.59Å
219	L	98.5	Very high	95.4	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	114.3	176.2	-180	59.9	0	0	0	109.5	L195 F210 L216 L221 F234 L237 L240 E242 L243 D244	L195-L219 HydrophobicContact CB-CD1 4.03Å; L195-L219 HydrophobicContact CD2-CD1 3.85Å; L195-L219 HydrophobicContact CG-CD1 3.96Å; F210-L219 HydrophobicContact CD2-CD2 4.38Å; F210-L219 HydrophobicContact CE1-CD1 4.16Å; F210-L219 HydrophobicContact CE1-CD2 4.28Å; F210-L219 HydrophobicContact CE2-CD2 4.11Å; F210-L219 HydrophobicContact CZ-CD1 4.46Å; F210-L219 HydrophobicContact CZ-CD2 4.06Å; L216-L219 HydrophobicContact CD2-CB 3.9Å; L216-L219 HydrophobicContact CD2-CD1 4.2Å; L216-L219 HydrophobicContact CD2-CG 4.43Å; L219-L221 HydrophobicContact CD1-CD1 4.41Å; L219-L221 HydrophobicContact CD1-CG 4.24Å; L219-L221 HydrophobicContact CD2-CD1 3.88Å; L219-L221 HydrophobicContact CG-CD1 3.99Å; L219-L221 HydrophobicContact CG-CG 4.12Å; L219-F234 HydrophobicContact CD2-CD1 4.07Å; L219-F234 HydrophobicContact CD2-CE1 3.78Å; L219-L237 HydrophobicContact CD2-CD1 3.88Å; L219-L240 HydrophobicContact CB-CD1 3.82Å; L219-E242 PolarHBondContact N-O 2.75Å; L219-L243 HydrophobicContact CB-CD1 4.04Å; L219-L243 HydrophobicContact CD2-CD1 3.9Å; L219-L243 HydrophobicContact CG-CD1 4.04Å; L219-L243 WeakPolarHBondContact O-CA 3.32Å; L219-D244 PolarHBondContact O-N 2.89Å
220	L	98.6	Very high	95.2	Very high	35 Å²	35	35 Å²	35	18%	0.183	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	115.1	-178.9	-48.2	177.5	0	0	0	109.6	L195 D196 L197 S198 D244	L195-L220 PolarHBondContact O-N 2.04Å; D196-L220 HydrophobicContact CB-CB 4.31Å; D196-L220 HydrophobicContact CB-CD1 4.14Å; L197-L220 CarbonylContact C-O 3.51Å; L197-L220 PolarHBondContact N-O 3.37Å; S198-L220 PolarHBondContact N-O 3.2Å; S198-L220 WeakPolarHBondContact OG-CB 3.13Å; L220-D244 HydrophobicContact CD2-CB 3.79Å
221	L	98	Very high	94.8	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.005	22%	0.222	C	C	.	.			trans	-123.3	18.7	-178.6	-72.1	166.5	0	0	0	111.7	L197 L202 F210 L219 N224 L226 F234 D244 L245 N248	L197-L221 HydrophobicContact CB-CD2 3.86Å; L197-L221 HydrophobicContact CD1-CD2 4.2Å; L202-L221 HydrophobicContact CD1-CD2 3.66Å; F210-L221 HydrophobicContact CZ-CD1 4.19Å; L219-L221 HydrophobicContact CD1-CD1 4.41Å; L219-L221 HydrophobicContact CD1-CG 4.24Å; L219-L221 HydrophobicContact CD2-CD1 3.88Å; L219-L221 HydrophobicContact CG-CD1 3.99Å; L219-L221 HydrophobicContact CG-CG 4.12Å; L221-N224 PolarHBondContact O-ND2 2.82Å; L221-L226 HydrophobicContact CB-CD1 4.21Å; L221-L226 HydrophobicContact CD1-CD1 4.36Å; L221-F234 HydrophobicContact CD1-CE1 4.14Å; L221-F234 HydrophobicContact CD1-CZ 4.24Å; L221-D244 CarbonylContact C-O 3.53Å; L221-D244 WeakPolarHBondContact CA-O 3.28Å; L221-D244 WeakPolarHBondContact CB-O 3.34Å; L221-D244 PolarHBondContact N-O 2.86Å; L221-L245 HydrophobicContact CB-CD2 4.04Å; L221-L245 HydrophobicContact CD1-CD2 3.81Å; L221-N248 PolarHBondContact O-ND2 2.95Å
222	R	98.3	Very high	94.5	Very high	103 Å²	103	42.3 Å²	42.3	39%	0.389	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57	144.9	-176.6	175.3	169.8	-176.8	-170.6	0.6	112.9	S198 Y199 N224 S246	S198-R222 CarbonylContact C-O 3.27Å; S198-R222 WeakPolarHBondContact CA-O 3.37Å; S198-R222 WeakPolarHBondContact CB-O 3.3Å; Y199-R222 PolarHBondContact N-O 2.97Å; Y199-R222 PolarHBondContact OH-NE 3.16Å; R222-N224 PolarHBondContact O-N 3.26Å; R222-N224 PolarHBondContact O-ND2 2.96Å; R222-S246 CarbonylContact C-O 3.5Å; R222-S246 WeakPolarHBondContact CA-O 3.28Å; R222-S246 VanDerWaalsContact CD-OG 3.29Å; R222-S246 WeakPolarHBondContact CD-OG 3.39Å; R222-S246 VanDerWaalsContact CG-OG 3.24Å; R222-S246 WeakPolarHBondContact CG-OG 3.34Å
223	G	98	Very high	94.3	Very high	19 Å²	19	39.6 Å²	39.6	20%	0.196	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.2	32.5	168	0	0	0	0	0	114.2	Y199 S246 S247	Y199-G223 WeakPolarHBondContact CA-O 3.42Å; G223-S246 PolarHBondContact N-O 3.19Å; G223-S247 CarbonylContact C-O 3.57Å; G223-S247 WeakPolarHBondContact CA-O 3.4Å; G223-S247 PolarHBondContact N-O 2.95Å
224	N	98.2	Very high	94.2	Very high	7 Å²	7	39.8 Å²	39.8	4%	0.037	22%	0.218	C	C	.	.	S	Bend	trans	-104.1	-170	175.2	-82.8	-75.1	0	0	0	110.9	L197 N200 R201 L202 L221 R222 L226 S247 N248	L197-N224 PolarHBondContact O-ND2 3.2Å; N200-N224 VanDerWaalsContact CA-OD1 3.25Å; N200-N224 WeakPolarHBondContact CA-OD1 3.18Å; N200-N224 WeakPolarHBondContact CB-OD1 3.28Å; N200-N224 PolarHBondContact N-OD1 2.03Å; N200-N224 PolarHBondContact O-OD1 3.44Å; R201-N224 PolarHBondContact N-OD1 2.82Å; L202-N224 HydrophobicContact CB-CB 4.02Å; L202-N224 WeakPolarHBondContact CB-OD1 3.36Å; L202-N224 WeakPolarHBondContact CG-OD1 3.25Å; L202-N224 PolarHBondContact N-OD1 2.94Å; L221-N224 PolarHBondContact O-ND2 2.82Å; R222-N224 PolarHBondContact O-N 3.26Å; R222-N224 PolarHBondContact O-ND2 2.96Å; N224-L226 HydrophobicContact CB-CG 4.14Å; N224-S247 PolarHBondContact N-O 2.88Å; N224-N248 VanDerWaalsContact CA-OD1 3.26Å; N224-N248 WeakPolarHBondContact CA-OD1 3.38Å; N224-N248 WeakPolarHBondContact CB-OD1 3.38Å; N224-N248 PolarHBondContact N-OD1 3.06Å; N224-N248 PolarHBondContact O-OD1 3.41Å
225	N	97.1	Very high	94.1	Very high	51 Å²	51	41.2 Å²	41.2	27%	0.273	22%	0.216	S	C	.	.			trans	-112.1	31.3	176.6	-66.4	-62.1	0	0	0	111.8	L202 V203 G227 R249	L202-N225 CarbonylContact O-C 3.52Å; L202-N225 WeakPolarHBondContact O-CA 3.22Å; L202-N225 WeakPolarHBondContact O-CB 3.37Å; L202-N225 PolarHBondContact O-N 3.2Å; V203-N225 HydrophobicContact CG2-CB 4.11Å; N225-G227 PolarHBondContact O-N 2.93Å; N225-R249 PolarHBondContact OD1-NE 3.21Å; N225-R249 PolarHBondContact OD1-NH2 3.41Å
226	L	95.1	Very high	93.8	Very high	7 Å²	7	41.4 Å²	41.4	4%	0.037	22%	0.215	C	C	.	.			trans	-66.5	123.7	-176	-62.5	174.8	0	0	0	110.2	L202 V205 L221 N224 L245 N248 R249 I250	L202-L226 HydrophobicContact CB-CD2 3.81Å; L202-L226 HydrophobicContact CB-CG 4.39Å; L202-L226 PolarHBondContact O-N 3.4Å; V205-L226 HydrophobicContact CG2-CD2 3.61Å; L221-L226 HydrophobicContact CB-CD1 4.21Å; L221-L226 HydrophobicContact CD1-CD1 4.36Å; N224-L226 HydrophobicContact CB-CG 4.14Å; L226-L245 HydrophobicContact CD1-CD2 4.28Å; L226-N248 HydrophobicContact CB-CB 4.19Å; L226-N248 VanDerWaalsContact CB-OD1 3.3Å; L226-N248 WeakPolarHBondContact CB-OD1 3.35Å; L226-N248 WeakPolarHBondContact CG-OD1 3.33Å; L226-N248 PolarHBondContact N-OD1 3.12Å; L226-R249 CarbonylContact O-C 3.31Å; L226-R249 WeakPolarHBondContact O-CA 3.4Å; L226-R249 WeakPolarHBondContact O-CB 3.17Å; L226-R249 PolarHBondContact O-N 3.42Å; L226-I250 HydrophobicContact CB-CG1 4.5Å; L226-I250 PolarHBondContact O-N 3.01Å
227	G	89.9	Confident	93.6	Very high	16 Å²	16	41.4 Å²	41.4	17%	0.165	22%	0.215	C	C	.	.			trans	-90.1	-124	172.2	0	0	0	0	0	110.9	N225 V229 I250	N225-G227 PolarHBondContact O-N 2.93Å; G227-V229 PolarHBondContact O-N 3Å; G227-I250 WeakPolarHBondContact O-CG1 3.38Å
228	P	85.6	Confident	93.3	Very high	119 Å²	119	45.1 Å²	45.1	77%	0.773	23%	0.227	S	C	*	.	S	Bend	trans	-62.5	127.7	171.8	-18.6	31.4	0	0	0	111.1
229	V	88	Confident	93.2	Very high	22 Å²	22	48.9 Å²	48.9	13%	0.133	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-89.1	128.4	172.7	-177.9	0	0	0	0	108.4	G227 A233 F234 I250	G227-V229 PolarHBondContact O-N 3Å; V229-A233 HydrophobicContact CG1-CB 3.89Å; V229-F234 HydrophobicContact CG1-CD2 4.31Å; V229-F234 HydrophobicContact CG1-CE2 3.57Å; V229-F234 HydrophobicContact CG1-CZ 3.9Å; V229-I250 HydrophobicContact CG2-CD1 3.96Å; V229-I250 HydrophobicContact CG2-CG1 4.22Å
230	P	88.7	Confident	93.1	Very high	41 Å²	41	49.1 Å²	49.1	27%	0.266	25%	0.245	S	C	.	.	P	Polyproline II helix	trans	-57.4	150	175.7	-22.2	31.4	0	0	0	112.3	V205 E232 A233 S256	V205-P230 WeakPolarHBondContact O-CG 3.46Å; P230-E232 PolarHBondContact O-N 3.39Å; P230-A233 HydrophobicContact CB-CB 4.33Å; P230-A233 WeakPolarHBondContact O-CB 3.21Å; P230-A233 PolarHBondContact O-N 2.75Å; P230-S256 PolarHBondContact O-OG 3.2Å
231	E	86.7	Confident	93.1	Very high	92 Å²	92	49 Å²	49	43%	0.43	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-22.9	178.8	-63	-160.7	150.5	0	0	112.8	R235 S256	E231-R235 WeakPolarHBondContact O-CG 3.03Å; E231-R235 PolarHBondContact O-NE 3.02Å; E231-R235 IonicContact OE2-NH2 3.39Å; E231-R235 PolarHBondContact OE2-NH2 3.13Å; E231-S256 WeakPolarHBondContact CA-OG 3.49Å; E231-S256 VanDerWaalsContact O-CA 3.27Å; E231-S256 WeakPolarHBondContact O-CA 3.28Å
232	E	89.5	Confident	93.1	Very high	96 Å²	96	52.6 Å²	52.6	45%	0.449	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-18.7	-178.5	-57.2	76.4	-163.7	0	0	112.9	G207 P230 F234 R235	G207-E232 CarbonylContact O-C 3.3Å; G207-E232 WeakPolarHBondContact O-CB 3.47Å; G207-E232 VanDerWaalsContact O-O 3.09Å; P230-E232 PolarHBondContact O-N 3.39Å; E232-F234 VanDerWaalsContact C-N 3.27Å; E232-F234 PolarHBondContact O-N 3.06Å; E232-R235 PolarHBondContact O-N 2.88Å
233	A	90.4	Very high	93.1	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.6	-42.9	-163.9	0	0	0	0	0	113.4	G207 F210 V229 P230	G207-A233 WeakPolarHBondContact O-CA 3.38Å; G207-A233 PolarHBondContact O-N 3.45Å; F210-A233 WeakPolarHBondContact CD2-O 3.25Å; V229-A233 HydrophobicContact CG1-CB 3.89Å; P230-A233 HydrophobicContact CB-CB 4.33Å; P230-A233 WeakPolarHBondContact O-CB 3.21Å; P230-A233 PolarHBondContact O-N 2.75Å
234	F	93.1	Very high	93.1	Very high	3 Å²	3	48 Å²	48	1%	0.013	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.4	2.2	-176.3	-49.2	-54.6	0	0	0	114.1	F210 L219 L221 V229 E232 S236 L237 L243 L245 F253 S256	F210-F234 AromaticContact CD2-CD1 3.87Å; F210-F234 HydrophobicContact CD2-CD1 3.87Å; F210-F234 AromaticContact CD2-CE1 3.92Å; F210-F234 HydrophobicContact CD2-CE1 3.92Å; F210-F234 HydrophobicContact CE2-CD1 4Å; F210-F234 AromaticContact CE2-CE1 3.54Å; F210-F234 HydrophobicContact CE2-CE1 3.54Å; F210-F234 HydrophobicContact CZ-CE1 4.5Å; L219-F234 HydrophobicContact CD2-CD1 4.07Å; L219-F234 HydrophobicContact CD2-CE1 3.78Å; L221-F234 HydrophobicContact CD1-CE1 4.14Å; L221-F234 HydrophobicContact CD1-CZ 4.24Å; V229-F234 HydrophobicContact CG1-CD2 4.31Å; V229-F234 HydrophobicContact CG1-CE2 3.57Å; V229-F234 HydrophobicContact CG1-CZ 3.9Å; E232-F234 VanDerWaalsContact C-N 3.27Å; E232-F234 PolarHBondContact O-N 3.06Å; F234-S236 PolarHBondContact O-N 3.48Å; F234-S236 VanDerWaalsContact O-N 3.16Å; F234-L237 HydrophobicContact CB-CD1 4.18Å; F234-L237 HydrophobicContact CD1-CD1 3.85Å; F234-L237 HydrophobicContact CG-CD1 4.47Å; F234-L237 WeakPolarHBondContact O-CB 3.39Å; F234-L237 PolarHBondContact O-N 3.47Å; F234-L243 HydrophobicContact CD2-CD2 4.01Å; F234-L243 HydrophobicContact CE1-CD1 4.38Å; F234-L243 HydrophobicContact CE2-CD2 4.01Å; F234-L243 HydrophobicContact CG-CD2 4.37Å; F234-L243 HydrophobicContact CZ-CD1 4.38Å; F234-L243 HydrophobicContact CZ-CD2 4.41Å; F234-L245 HydrophobicContact CE2-CD1 4.07Å; F234-L245 HydrophobicContact CE2-CD2 4.5Å; F234-L245 HydrophobicContact CZ-CD1 4.37Å; F234-L245 HydrophobicContact CZ-CD2 3.99Å; F234-F253 HydrophobicContact CD2-CE2 4.36Å; F234-F253 HydrophobicContact CD2-CZ 4.25Å; F234-F253 AromaticContact CE2-CE2 3.99Å; F234-F253 HydrophobicContact CE2-CE2 3.99Å; F234-F253 HydrophobicContact CE2-CZ 4.31Å; F234-S256 WeakPolarHBondContact CB-O 3.45Å
235	R	91	Very high	93.1	Very high	107 Å²	107	47.6 Å²	47.6	40%	0.404	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-25.3	-174.6	-72	-173.4	-178.5	166.2	1.7	113.8	E231 E232	E231-R235 WeakPolarHBondContact O-CG 3.03Å; E231-R235 PolarHBondContact O-NE 3.02Å; E231-R235 IonicContact OE2-NH2 3.39Å; E231-R235 PolarHBondContact OE2-NH2 3.13Å; E232-R235 PolarHBondContact O-N 2.88Å
236	S	90.1	Very high	93.1	Very high	31 Å²	31	45.4 Å²	45.4	22%	0.217	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-17.4	177.7	55.1	0	0	0	0	114	F210 A211 F234 R238	F210-S236 PolarHBondContact O-OG 3.06Å; A211-S236 WeakPolarHBondContact CA-OG 3.48Å; F234-S236 PolarHBondContact O-N 3.48Å; F234-S236 VanDerWaalsContact O-N 3.16Å; S236-R238 VanDerWaalsContact C-N 3.28Å; S236-R238 PolarHBondContact O-N 3.01Å
237	L	94.6	Very high	93.3	Very high	1 Å²	1	47 Å²	47	1%	0.005	24%	0.242	C	C	.	.			trans	-84	65	-169.3	-60.6	179.9	0	0	0	111.9	F210 L213 L216 L219 F234 M239 L240	F210-L237 HydrophobicContact CB-CD1 4.17Å; F210-L237 HydrophobicContact CB-CD2 3.91Å; F210-L237 HydrophobicContact CB-CG 4.17Å; F210-L237 HydrophobicContact CG-CD1 4.46Å; L213-L237 HydrophobicContact CB-CD2 3.76Å; L213-L237 WeakPolarHBondContact O-CD2 3.36Å; L216-L237 HydrophobicContact CB-CD2 4.11Å; L216-L237 HydrophobicContact CD2-CD1 4.35Å; L216-L237 HydrophobicContact CD2-CD2 3.92Å; L219-L237 HydrophobicContact CD2-CD1 3.88Å; F234-L237 HydrophobicContact CB-CD1 4.18Å; F234-L237 HydrophobicContact CD1-CD1 3.85Å; F234-L237 HydrophobicContact CG-CD1 4.47Å; F234-L237 WeakPolarHBondContact O-CB 3.39Å; F234-L237 PolarHBondContact O-N 3.47Å; L237-M239 PolarHBondContact O-N 3.23Å; L237-L240 HydrophobicContact CB-CB 3.95Å; L237-L240 HydrophobicContact CB-CD2 4.16Å; L237-L240 HydrophobicContact CD1-CD1 4.42Å; L237-L240 HydrophobicContact CD1-CD2 3.85Å; L237-L240 WeakPolarHBondContact O-CB 3.26Å; L237-L240 PolarHBondContact O-N 3.01Å
238	R	91.6	Very high	93.6	Very high	185 Å²	185	46.7 Å²	46.7	70%	0.698	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-19.5	-173.3	-62.6	-178.6	-177.6	-175.9	0.1	114.7	S236 I262	S236-R238 VanDerWaalsContact C-N 3.28Å; S236-R238 PolarHBondContact O-N 3.01Å; R238-I262 WeakPolarHBondContact O-CD1 3.18Å; R238-I262 WeakPolarHBondContact O-CG1 3.4Å
239	M	95.8	Very high	94.2	Very high	91 Å²	91	48.4 Å²	48.4	45%	0.448	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.5	6.5	-178.6	-61.5	-58	-66.7	0	0	113.2	V214 L216 L237 A241 I262	V214-M239 VanDerWaalsContact O-CG 3.26Å; V214-M239 WeakPolarHBondContact O-CG 3.33Å; L216-M239 CarbonylContact O-C 3.56Å; L216-M239 VanDerWaalsContact O-O 3.12Å; L237-M239 PolarHBondContact O-N 3.23Å; M239-A241 PolarHBondContact O-N 2.75Å; M239-I262 HydrophobicContact SD-CD1 4.33Å
240	L	97.2	Very high	94.5	Very high	4 Å²	4	47.3 Å²	47.3	2%	0.021	22%	0.222	C	C	.	.			trans	-72.3	119.8	-172.9	-163.5	70.7	0	0	0	110.6	L216 L219 L237 E242 L243 I262 L263	L216-L240 HydrophobicContact CD2-CD1 4.07Å; L216-L240 HydrophobicContact CG-CD1 4.25Å; L216-L240 VanDerWaalsContact O-CA 3.27Å; L216-L240 WeakPolarHBondContact O-CA 3.48Å; L216-L240 PolarHBondContact O-N 3.13Å; L216-L240 VanDerWaalsContact O-N 3.09Å; L219-L240 HydrophobicContact CB-CD1 3.82Å; L237-L240 HydrophobicContact CB-CB 3.95Å; L237-L240 HydrophobicContact CB-CD2 4.16Å; L237-L240 HydrophobicContact CD1-CD1 4.42Å; L237-L240 HydrophobicContact CD1-CD2 3.85Å; L237-L240 WeakPolarHBondContact O-CB 3.26Å; L237-L240 PolarHBondContact O-N 3.01Å; L240-E242 WeakPolarHBondContact CD1-O 3.16Å; L240-L243 HydrophobicContact CD2-CB 4.01Å; L240-L243 HydrophobicContact CD2-CD1 4.44Å; L240-L243 HydrophobicContact CD2-CD2 4.3Å; L240-L243 HydrophobicContact CD2-CG 4.49Å; L240-I262 CarbonylContact O-C 3.56Å; L240-L263 HydrophobicContact CB-CD1 4.25Å; L240-L263 HydrophobicContact CD2-CD1 3.91Å; L240-L263 HydrophobicContact CG-CD1 3.75Å; L240-L263 WeakPolarHBondContact O-CA 3.37Å; L240-L263 PolarHBondContact O-N 3.18Å
241	A	97.8	Very high	94.6	Very high	32 Å²	32	47 Å²	47	26%	0.264	22%	0.22	S	C	.	.			trans	-102.4	-27.6	177.2	0	0	0	0	0	112.1	K217 M239 E264 S265	K217-A241 WeakPolarHBondContact O-CA 3.38Å; K217-A241 PolarHBondContact O-N 3.43Å; M239-A241 PolarHBondContact O-N 2.75Å; A241-E264 HydrophobicContact CB-CG 4.49Å; A241-E264 WeakPolarHBondContact O-CA 3.09Å; A241-E264 PolarHBondContact O-N 3.39Å; A241-S265 PolarHBondContact O-N 3.1Å
242	E	98.4	Very high	94.7	Very high	78 Å²	78	47.7 Å²	47.7	36%	0.364	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	130.9	-178.8	-178.5	178	-140.4	0	0	111.7	K217 S218 L219 L240	K217-E242 PolarHBondContact O-N 2.99Å; S218-E242 WeakPolarHBondContact CA-O 3.32Å; S218-E242 PolarHBondContact OG-OE2 2.59Å; L219-E242 PolarHBondContact N-O 2.75Å; L240-E242 WeakPolarHBondContact CD1-O 3.16Å
243	L	97.8	Very high	94.7	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.005	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	112.5	176.1	178.3	56.4	0	0	0	109.9	L219 F234 L240 L245 L257 L263 S265 L266 D267	L219-L243 HydrophobicContact CB-CD1 4.04Å; L219-L243 HydrophobicContact CD2-CD1 3.9Å; L219-L243 HydrophobicContact CG-CD1 4.04Å; L219-L243 WeakPolarHBondContact O-CA 3.32Å; F234-L243 HydrophobicContact CD2-CD2 4.01Å; F234-L243 HydrophobicContact CE1-CD1 4.38Å; F234-L243 HydrophobicContact CE2-CD2 4.01Å; F234-L243 HydrophobicContact CG-CD2 4.37Å; F234-L243 HydrophobicContact CZ-CD1 4.38Å; F234-L243 HydrophobicContact CZ-CD2 4.41Å; L240-L243 HydrophobicContact CD2-CB 4.01Å; L240-L243 HydrophobicContact CD2-CD1 4.44Å; L240-L243 HydrophobicContact CD2-CD2 4.3Å; L240-L243 HydrophobicContact CD2-CG 4.49Å; L243-L245 HydrophobicContact CD1-CD1 4.49Å; L243-L245 HydrophobicContact CD1-CD2 4.33Å; L243-L245 HydrophobicContact CD1-CG 4.09Å; L243-L245 HydrophobicContact CD2-CD1 4.02Å; L243-L245 HydrophobicContact CD2-CG 4.46Å; L243-L245 HydrophobicContact CG-CD1 4.13Å; L243-L245 HydrophobicContact CG-CG 4.05Å; L243-L257 HydrophobicContact CD2-CD2 4.19Å; L243-L263 HydrophobicContact CB-CD1 3.82Å; L243-L263 HydrophobicContact CB-CD2 4.12Å; L243-S265 PolarHBondContact N-O 2.82Å; L243-L266 HydrophobicContact CB-CD1 3.85Å; L243-L266 HydrophobicContact CD2-CD1 3.75Å; L243-L266 HydrophobicContact CG-CD1 3.78Å; L243-L266 WeakPolarHBondContact O-CA 3.25Å; L243-D267 PolarHBondContact O-N 3.18Å
244	D	98.4	Very high	94.2	Very high	23 Å²	23	45.2 Å²	45.2	12%	0.123	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	110	175.6	-176.1	-5.7	0	0	0	110.2	L219 L220 L221 S246	L219-D244 PolarHBondContact O-N 2.89Å; L220-D244 HydrophobicContact CD2-CB 3.79Å; L221-D244 CarbonylContact C-O 3.53Å; L221-D244 WeakPolarHBondContact CA-O 3.28Å; L221-D244 WeakPolarHBondContact CB-O 3.34Å; L221-D244 PolarHBondContact N-O 2.86Å; D244-S246 WeakPolarHBondContact OD1-CB 3.26Å; D244-S246 PolarHBondContact OD1-N 3.19Å; D244-S246 PolarHBondContact OD1-OG 3.48Å
245	L	97.5	Very high	93.7	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.242	C	C	.	.			trans	-110.9	13.5	175	-67.9	168.8	0	0	0	111.7	L221 L226 F234 L243 N248 I250 F253 D267 F268 N271	L221-L245 HydrophobicContact CB-CD2 4.04Å; L221-L245 HydrophobicContact CD1-CD2 3.81Å; L226-L245 HydrophobicContact CD1-CD2 4.28Å; F234-L245 HydrophobicContact CE2-CD1 4.07Å; F234-L245 HydrophobicContact CE2-CD2 4.5Å; F234-L245 HydrophobicContact CZ-CD1 4.37Å; F234-L245 HydrophobicContact CZ-CD2 3.99Å; L243-L245 HydrophobicContact CD1-CD1 4.49Å; L243-L245 HydrophobicContact CD1-CD2 4.33Å; L243-L245 HydrophobicContact CD1-CG 4.09Å; L243-L245 HydrophobicContact CD2-CD1 4.02Å; L243-L245 HydrophobicContact CD2-CG 4.46Å; L243-L245 HydrophobicContact CG-CD1 4.13Å; L243-L245 HydrophobicContact CG-CG 4.05Å; L245-N248 WeakPolarHBondContact O-CB 3.47Å; L245-N248 PolarHBondContact O-ND2 3.22Å; L245-I250 HydrophobicContact CB-CD1 3.83Å; L245-I250 HydrophobicContact CD1-CD1 4.18Å; L245-I250 HydrophobicContact CD2-CD1 4.27Å; L245-I250 HydrophobicContact CG-CD1 4.33Å; L245-F253 HydrophobicContact CD1-CD2 4.39Å; L245-F253 HydrophobicContact CD1-CE2 3.85Å; L245-D267 CarbonylContact C-O 3.13Å; L245-D267 WeakPolarHBondContact CA-O 3.4Å; L245-D267 WeakPolarHBondContact CB-O 3.3Å; L245-D267 PolarHBondContact N-O 2.95Å; L245-F268 HydrophobicContact CB-CD1 4.29Å; L245-F268 HydrophobicContact CB-CE1 4.42Å; L245-F268 HydrophobicContact CD1-CD1 4.36Å; L245-F268 HydrophobicContact CD1-CE1 3.67Å; L245-F268 HydrophobicContact CD1-CZ 4.32Å; L245-N271 PolarHBondContact O-ND2 2.89Å
246	S	98.1	Very high	93.4	Very high	4 Å²	4	43.3 Å²	43.3	3%	0.028	22%	0.224	C	C	.	.			trans	-64	157	-174.1	68.6	0	0	0	0	112.9	R222 G223 D244 N248 D267 S269	R222-S246 CarbonylContact C-O 3.5Å; R222-S246 WeakPolarHBondContact CA-O 3.28Å; R222-S246 VanDerWaalsContact CD-OG 3.29Å; R222-S246 WeakPolarHBondContact CD-OG 3.39Å; R222-S246 VanDerWaalsContact CG-OG 3.24Å; R222-S246 WeakPolarHBondContact CG-OG 3.34Å; G223-S246 PolarHBondContact N-O 3.19Å; D244-S246 WeakPolarHBondContact OD1-CB 3.26Å; D244-S246 PolarHBondContact OD1-N 3.19Å; D244-S246 PolarHBondContact OD1-OG 3.48Å; S246-N248 PolarHBondContact O-N 2.98Å; S246-N248 PolarHBondContact O-ND2 3.44Å; S246-N248 VanDerWaalsContact O-ND2 3.16Å; S246-D267 PolarHBondContact N-O 3.42Å; S246-S269 CarbonylContact C-O 3.32Å; S246-S269 WeakPolarHBondContact CA-O 3.41Å; S246-S269 VanDerWaalsContact CB-O 3.22Å; S246-S269 WeakPolarHBondContact CB-O 3.49Å
247	S	98.1	Very high	93.4	Very high	40 Å²	40	42.7 Å²	42.7	28%	0.28	22%	0.218	S	C	.	.	S	Bend	trans	55.9	46.1	178.3	-49	0	0	0	0	113.1	G223 N224 S269 S270	G223-S247 CarbonylContact C-O 3.57Å; G223-S247 WeakPolarHBondContact CA-O 3.4Å; G223-S247 PolarHBondContact N-O 2.95Å; N224-S247 PolarHBondContact N-O 2.88Å; S247-S269 PolarHBondContact N-O 3.03Å; S247-S270 WeakPolarHBondContact CA-O 3.38Å
248	N	97.9	Very high	93.1	Very high	10 Å²	10	43 Å²	43	5%	0.053	22%	0.22	C	C	.	.	S	Bend	trans	-117.9	-161.1	175.6	-85.4	-76.1	0	0	0	110.5	L221 N224 L226 L245 S246 I250 N271	L221-N248 PolarHBondContact O-ND2 2.95Å; N224-N248 VanDerWaalsContact CA-OD1 3.26Å; N224-N248 WeakPolarHBondContact CA-OD1 3.38Å; N224-N248 WeakPolarHBondContact CB-OD1 3.38Å; N224-N248 PolarHBondContact N-OD1 3.06Å; N224-N248 PolarHBondContact O-OD1 3.41Å; L226-N248 HydrophobicContact CB-CB 4.19Å; L226-N248 VanDerWaalsContact CB-OD1 3.3Å; L226-N248 WeakPolarHBondContact CB-OD1 3.35Å; L226-N248 WeakPolarHBondContact CG-OD1 3.33Å; L226-N248 PolarHBondContact N-OD1 3.12Å; L245-N248 WeakPolarHBondContact O-CB 3.47Å; L245-N248 PolarHBondContact O-ND2 3.22Å; S246-N248 PolarHBondContact O-N 2.98Å; S246-N248 PolarHBondContact O-ND2 3.44Å; S246-N248 VanDerWaalsContact O-ND2 3.16Å; N248-I250 HydrophobicContact CB-CD1 4.22Å; N248-I250 HydrophobicContact CB-CG1 4.1Å; N248-N271 WeakPolarHBondContact CA-OD1 3.27Å; N248-N271 WeakPolarHBondContact CB-OD1 3.34Å; N248-N271 PolarHBondContact N-OD1 3.2Å; N248-N271 PolarHBondContact O-OD1 3.42Å
249	R	96.4	Very high	92.8	Very high	155 Å²	155	41.5 Å²	41.5	59%	0.585	23%	0.231	S	C	*	.			trans	-119.3	29.2	178.5	-54.1	-177.5	-173.5	-163.9	1.3	111.9	N225 L226 S251 N271	N225-R249 PolarHBondContact OD1-NE 3.21Å; N225-R249 PolarHBondContact OD1-NH2 3.41Å; L226-R249 CarbonylContact O-C 3.31Å; L226-R249 WeakPolarHBondContact O-CA 3.4Å; L226-R249 WeakPolarHBondContact O-CB 3.17Å; L226-R249 PolarHBondContact O-N 3.42Å; R249-S251 PolarHBondContact O-N 3.16Å; R249-N271 PolarHBondContact N-OD1 2.99Å
250	I	94.8	Very high	92.3	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.243	C	C	.	.			trans	-75.4	113.1	-177.5	-56.5	169.9	0	0	0	108.8	L226 G227 V229 L245 N248 H252 F253 N271 P272 L273	L226-I250 HydrophobicContact CB-CG1 4.5Å; L226-I250 PolarHBondContact O-N 3.01Å; G227-I250 WeakPolarHBondContact O-CG1 3.38Å; V229-I250 HydrophobicContact CG2-CD1 3.96Å; V229-I250 HydrophobicContact CG2-CG1 4.22Å; L245-I250 HydrophobicContact CB-CD1 3.83Å; L245-I250 HydrophobicContact CD1-CD1 4.18Å; L245-I250 HydrophobicContact CD2-CD1 4.27Å; L245-I250 HydrophobicContact CG-CD1 4.33Å; N248-I250 HydrophobicContact CB-CD1 4.22Å; N248-I250 HydrophobicContact CB-CG1 4.1Å; I250-H252 WeakPolarHBondContact CG2-O 3.38Å; I250-F253 HydrophobicContact CG2-CB 4.45Å; I250-N271 HydrophobicContact CB-CB 4.36Å; I250-N271 WeakPolarHBondContact CB-OD1 3.27Å; I250-N271 PolarHBondContact N-OD1 3.37Å; I250-N271 WeakPolarHBondContact O-CB 3.22Å; I250-P272 CarbonylContact O-C 3.22Å; I250-P272 WeakPolarHBondContact O-CD 3.43Å; I250-L273 PolarHBondContact O-N 2.79Å
251	S	91.7	Very high	92	Very high	34 Å²	34	43.5 Å²	43.5	24%	0.238	24%	0.244	C	C	.	.			trans	-92.1	-23.3	176.2	56.8	0	0	0	0	113.3	R249 E274	R249-S251 PolarHBondContact O-N 3.16Å; S251-E274 PolarHBondContact O-N 2.91Å
252	H	88.3	Confident	91.9	Very high	106 Å²	106	44.7 Å²	44.7	49%	0.491	25%	0.246	S	C	.	.			trans	-146.7	140.6	-176.8	-61	80.7	0	0	0	109.5	I250	I250-H252 WeakPolarHBondContact CG2-O 3.38Å
253	F	89.7	Confident	91.8	Very high	13 Å²	13	41.1 Å²	41.1	6%	0.057	23%	0.229	C	C	.	.			trans	-135.6	122.4	174	-168.7	-89.1	0	0	0	109.7	F234 L245 I250 L257 F268 P277 L279	F234-F253 HydrophobicContact CD2-CE2 4.36Å; F234-F253 HydrophobicContact CD2-CZ 4.25Å; F234-F253 AromaticContact CE2-CE2 3.99Å; F234-F253 HydrophobicContact CE2-CE2 3.99Å; F234-F253 HydrophobicContact CE2-CZ 4.31Å; L245-F253 HydrophobicContact CD1-CD2 4.39Å; L245-F253 HydrophobicContact CD1-CE2 3.85Å; I250-F253 HydrophobicContact CG2-CB 4.45Å; F253-L257 HydrophobicContact CE1-CG 4.15Å; F253-L257 HydrophobicContact CZ-CD2 4.39Å; F253-L257 HydrophobicContact CZ-CG 4.37Å; F253-F268 HydrophobicContact CB-CE1 3.87Å; F253-F268 HydrophobicContact CB-CZ 3.85Å; F253-F268 HydrophobicContact CD1-CE1 4.2Å; F253-F268 HydrophobicContact CD1-CE2 4.39Å; F253-F268 AromaticContact CD1-CZ 3.51Å; F253-F268 HydrophobicContact CD1-CZ 3.51Å; F253-F268 AromaticContact CD2-CE1 3.49Å; F253-F268 HydrophobicContact CD2-CE1 3.49Å; F253-F268 VanDerWaalsContact CD2-CE1 3.49Å; F253-F268 AromaticContact CD2-CZ 3.65Å; F253-F268 HydrophobicContact CD2-CZ 3.65Å; F253-F268 AromaticContact CE1-CZ 3.86Å; F253-F268 HydrophobicContact CE1-CZ 3.86Å; F253-F268 HydrophobicContact CE2-CE1 4Å; F253-F268 AromaticContact CE2-CZ 3.99Å; F253-F268 HydrophobicContact CE2-CZ 3.99Å; F253-F268 AromaticContact CG-CE1 3.59Å; F253-F268 HydrophobicContact CG-CE1 3.59Å; F253-F268 HydrophobicContact CG-CE2 4.47Å; F253-F268 AromaticContact CG-CZ 3.37Å; F253-F268 HydrophobicContact CG-CZ 3.37Å; F253-F268 HydrophobicContact CZ-CZ 4.07Å; F253-P277 HydrophobicContact CB-CB 4.25Å; F253-P277 HydrophobicContact CD1-CB 4.43Å; F253-L279 HydrophobicContact CD1-CD2 3.71Å; F253-L279 HydrophobicContact CE1-CD2 3.71Å
254	G	80.8	Confident	91.8	Very high	32 Å²	32	45.1 Å²	45.1	33%	0.33	25%	0.248	S	C	.	.			trans	-107.9	-137.1	-174.2	0	0	0	0	0	112.8	S256	G254-S256 PolarHBondContact O-N 2.99Å; G254-S256 VanDerWaalsContact O-N 3.07Å
255	S	81.9	Confident	91.8	Very high	67 Å²	67	44.5 Å²	44.5	47%	0.469	25%	0.245	S	C	.	.	S	Bend	trans	-83.7	37	-174	69	0	0	0	0	114.2	L257	S255-L257 VanDerWaalsContact C-N 3.31Å; S255-L257 PolarHBondContact O-N 2.87Å
256	S	84.5	Confident	91.7	Very high	3 Å²	3	44.5 Å²	44.5	2%	0.021	25%	0.245	C	C	.	.			trans	-75.8	-15.9	-172.8	-52.6	0	0	0	0	114.9	P230 E231 F234 G254	P230-S256 PolarHBondContact O-OG 3.2Å; E231-S256 WeakPolarHBondContact CA-OG 3.49Å; E231-S256 VanDerWaalsContact O-CA 3.27Å; E231-S256 WeakPolarHBondContact O-CA 3.28Å; F234-S256 WeakPolarHBondContact CB-O 3.45Å; G254-S256 PolarHBondContact O-N 2.99Å; G254-S256 VanDerWaalsContact O-N 3.07Å
257	L	90.6	Very high	91.8	Very high	17 Å²	17	45.6 Å²	45.6	9%	0.089	25%	0.251	C	S	.	.	S	Bend	trans	-75.1	154.7	-178.7	-66.6	178.5	0	0	0	111.8	L243 F253 S255 L263 L266 L279 C281	L243-L257 HydrophobicContact CD2-CD2 4.19Å; F253-L257 HydrophobicContact CE1-CG 4.15Å; F253-L257 HydrophobicContact CZ-CD2 4.39Å; F253-L257 HydrophobicContact CZ-CG 4.37Å; S255-L257 VanDerWaalsContact C-N 3.31Å; S255-L257 PolarHBondContact O-N 2.87Å; L257-L263 HydrophobicContact CD1-CD2 4.5Å; L257-L263 HydrophobicContact CD2-CD2 4.15Å; L257-L266 HydrophobicContact CD1-CD2 4.3Å; L257-L279 HydrophobicContact CD1-CD2 3.9Å; L257-C281 HydrophobicContact CD1-CB 4.39Å
258	P	88.5	Confident	91.7	Very high	9 Å²	9	43.8 Å²	43.8	6%	0.058	24%	0.238	C	C	.	.			trans	-64.9	152.5	177.7	26.7	-34.8	0	0	0	112.4	N260 C261	P258-N260 PolarHBondContact O-N 3.25Å; P258-C261 HydrophobicContact CG-CB 4.33Å; P258-C261 WeakPolarHBondContact O-CB 3.47Å; P258-C261 PolarHBondContact O-N 3.07Å
259	T	84.3	Confident	91.7	Very high	152 Å²	152	43.8 Å²	43.8	93%	0.933	24%	0.239	S	C	*	.	S	Bend	trans	-63.3	-39	-178.6	-39.2	0	0	0	0	113	C261	T259-C261 PolarHBondContact O-N 2.84Å
260	N	86.5	Confident	91.8	Very high	130 Å²	130	38.5 Å²	38.5	70%	0.695	23%	0.226	S	C	*	.	S	Bend	trans	-98.1	68.4	171.4	-168.5	16.8	0	0	0	109.2	P258 I262	P258-N260 PolarHBondContact O-N 3.25Å; N260-I262 PolarHBondContact O-N 3.09Å
261	C	90.4	Very high	91.9	Very high	7 Å²	7	38.7 Å²	38.7	5%	0.047	23%	0.227	C	C	.	.			trans	-74.9	117.2	-175.2	-177.8	0	0	0	0	111.3	P258 T259 L263 C281	P258-C261 HydrophobicContact CG-CB 4.33Å; P258-C261 WeakPolarHBondContact O-CB 3.47Å; P258-C261 PolarHBondContact O-N 3.07Å; T259-C261 PolarHBondContact O-N 2.84Å; C261-L263 VanDerWaalsContact SG-CB 3.55Å; C261-C281 HydrophobicContact CB-CB 3.69Å; C261-C281 WeakPolarHBondContact CB-SG 3.43Å; C261-C281 WeakPolarHBondContact SG-CB 3.34Å; C261-C281 CovalentContact SG-SG 2.04Å; C261-C281 PolarHBondContact SG-SG 3.09Å
262	I	94.9	Very high	92	Very high	57 Å²	57	38.5 Å²	38.5	29%	0.292	22%	0.224	S	C	.	.			trans	-106	14.3	174	69.9	169.4	0	0	0	112.9	R238 M239 L240 N260 E264	R238-I262 WeakPolarHBondContact O-CD1 3.18Å; R238-I262 WeakPolarHBondContact O-CG1 3.4Å; M239-I262 HydrophobicContact SD-CD1 4.33Å; L240-I262 CarbonylContact O-C 3.56Å; N260-I262 PolarHBondContact O-N 3.09Å; I262-E264 PolarHBondContact O-N 2.98Å
263	L	96.2	Very high	92.2	Very high	3 Å²	3	33.5 Å²	33.5	2%	0.016	20%	0.201	C	C	.	.			trans	-61.2	129.2	-179.2	-165.4	75.5	0	0	0	109.3	L240 L243 L257 C261 L266 S283 L284	L240-L263 HydrophobicContact CB-CD1 4.25Å; L240-L263 HydrophobicContact CD2-CD1 3.91Å; L240-L263 HydrophobicContact CG-CD1 3.75Å; L240-L263 WeakPolarHBondContact O-CA 3.37Å; L240-L263 PolarHBondContact O-N 3.18Å; L243-L263 HydrophobicContact CB-CD1 3.82Å; L243-L263 HydrophobicContact CB-CD2 4.12Å; L257-L263 HydrophobicContact CD1-CD2 4.5Å; L257-L263 HydrophobicContact CD2-CD2 4.15Å; C261-L263 VanDerWaalsContact SG-CB 3.55Å; L263-L266 HydrophobicContact CD2-CB 3.75Å; L263-L266 HydrophobicContact CD2-CD1 4.01Å; L263-L266 HydrophobicContact CD2-CD2 4.17Å; L263-L266 HydrophobicContact CD2-CG 4.2Å; L263-S283 CarbonylContact O-C 3.5Å; L263-L284 HydrophobicContact CB-CD1 4.24Å; L263-L284 HydrophobicContact CD2-CD1 3.92Å; L263-L284 HydrophobicContact CG-CD1 4.04Å; L263-L284 WeakPolarHBondContact O-CA 3.41Å; L263-L284 PolarHBondContact O-N 3.11Å; L263-L284 VanDerWaalsContact O-N 3.09Å
264	E	97.7	Very high	92.1	Very high	85 Å²	85	35.4 Å²	35.4	40%	0.397	21%	0.211	S	C	.	.			trans	-98.5	-31.3	178.1	-58.9	-162	146.8	0	0	112	A241 I262 K285 R286	A241-E264 HydrophobicContact CB-CG 4.49Å; A241-E264 WeakPolarHBondContact O-CA 3.09Å; A241-E264 PolarHBondContact O-N 3.39Å; I262-E264 PolarHBondContact O-N 2.98Å; E264-K285 HydrophobicContact CB-CD 4.36Å; E264-K285 VanDerWaalsContact CD-NZ 3.32Å; E264-K285 WeakPolarHBondContact O-CA 3.42Å; E264-K285 WeakPolarHBondContact O-CB 3.33Å; E264-K285 PolarHBondContact O-N 3.05Å; E264-K285 IonicContact OE1-NZ 3.76Å; E264-K285 PolarHBondContact OE1-NZ 2.84Å; E264-K285 IonicContact OE2-NZ 3.97Å; E264-R286 PolarHBondContact O-N 3.35Å
265	S	98.2	Very high	92.4	Very high	10 Å²	10	39 Å²	39	7%	0.07	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	126.7	-175	-163.6	0	0	0	0	110.9	A241 L243 R286	A241-S265 PolarHBondContact O-N 3.1Å; L243-S265 PolarHBondContact N-O 2.82Å; S265-R286 PolarHBondContact OG-NE 3.44Å; S265-R286 PolarHBondContact OG-NH2 3.33Å; S265-R286 VanDerWaalsContact OG-NH2 3.15Å
266	L	97.4	Very high	92.8	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	124.2	177	-176.8	55.8	0	0	0	110.6	L243 L257 L263 F268 L279 L284 R286 L287 L288	L243-L266 HydrophobicContact CB-CD1 3.85Å; L243-L266 HydrophobicContact CD2-CD1 3.75Å; L243-L266 HydrophobicContact CG-CD1 3.78Å; L243-L266 WeakPolarHBondContact O-CA 3.25Å; L257-L266 HydrophobicContact CD1-CD2 4.3Å; L263-L266 HydrophobicContact CD2-CB 3.75Å; L263-L266 HydrophobicContact CD2-CD1 4.01Å; L263-L266 HydrophobicContact CD2-CD2 4.17Å; L263-L266 HydrophobicContact CD2-CG 4.2Å; L266-F268 HydrophobicContact CD1-CE2 4.06Å; L266-F268 HydrophobicContact CD1-CZ 4.04Å; L266-F268 HydrophobicContact CD2-CD2 4.39Å; L266-F268 HydrophobicContact CD2-CE2 3.43Å; L266-F268 VanDerWaalsContact CD2-CE2 3.43Å; L266-F268 HydrophobicContact CD2-CZ 3.86Å; L266-F268 HydrophobicContact CG-CD2 4.12Å; L266-F268 HydrophobicContact CG-CE2 3.55Å; L266-F268 HydrophobicContact CG-CZ 4.03Å; L266-L279 HydrophobicContact CD2-CD1 3.63Å; L266-L279 HydrophobicContact CD2-CD2 4.15Å; L266-L284 HydrophobicContact CB-CD1 3.79Å; L266-L284 HydrophobicContact CB-CD2 4.46Å; L266-R286 PolarHBondContact N-O 3.12Å; L266-L287 HydrophobicContact CB-CD1 4.28Å; L266-L287 HydrophobicContact CD2-CD1 4.3Å; L266-L287 HydrophobicContact CG-CD1 4.31Å; L266-L288 PolarHBondContact O-N 3.49Å
267	D	98.2	Very high	93.1	Very high	28 Å²	28	36.4 Å²	36.4	15%	0.15	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	119.6	-177.8	-165.4	-7.6	0	0	0	112.3	L243 L245 S246 S269 L288	L243-D267 PolarHBondContact O-N 3.18Å; L245-D267 CarbonylContact C-O 3.13Å; L245-D267 WeakPolarHBondContact CA-O 3.4Å; L245-D267 WeakPolarHBondContact CB-O 3.3Å; L245-D267 PolarHBondContact N-O 2.95Å; S246-D267 PolarHBondContact N-O 3.42Å; D267-S269 WeakPolarHBondContact OD1-CA 3.32Å; D267-S269 WeakPolarHBondContact OD1-CB 3.31Å; D267-S269 PolarHBondContact OD1-N 2.84Å; D267-S269 PolarHBondContact OD1-OG 2.84Å; D267-L288 HydrophobicContact CB-CB 4.2Å; D267-L288 HydrophobicContact CB-CD1 4.31Å; D267-L288 WeakPolarHBondContact OD1-CB 3.24Å
268	F	96.8	Very high	92.9	Very high	1 Å²	1	44.9 Å²	44.9	0%	0.004	23%	0.229	C	C	.	.			trans	-111	7.5	172.2	-69.3	-70.4	0	0	0	112.9	L245 F253 L266 N271 P277 L287 L288 M289	L245-F268 HydrophobicContact CB-CD1 4.29Å; L245-F268 HydrophobicContact CB-CE1 4.42Å; L245-F268 HydrophobicContact CD1-CD1 4.36Å; L245-F268 HydrophobicContact CD1-CE1 3.67Å; L245-F268 HydrophobicContact CD1-CZ 4.32Å; F253-F268 HydrophobicContact CB-CE1 3.87Å; F253-F268 HydrophobicContact CB-CZ 3.85Å; F253-F268 HydrophobicContact CD1-CE1 4.2Å; F253-F268 HydrophobicContact CD1-CE2 4.39Å; F253-F268 AromaticContact CD1-CZ 3.51Å; F253-F268 HydrophobicContact CD1-CZ 3.51Å; F253-F268 AromaticContact CD2-CE1 3.49Å; F253-F268 HydrophobicContact CD2-CE1 3.49Å; F253-F268 VanDerWaalsContact CD2-CE1 3.49Å; F253-F268 AromaticContact CD2-CZ 3.65Å; F253-F268 HydrophobicContact CD2-CZ 3.65Å; F253-F268 AromaticContact CE1-CZ 3.86Å; F253-F268 HydrophobicContact CE1-CZ 3.86Å; F253-F268 HydrophobicContact CE2-CE1 4Å; F253-F268 AromaticContact CE2-CZ 3.99Å; F253-F268 HydrophobicContact CE2-CZ 3.99Å; F253-F268 AromaticContact CG-CE1 3.59Å; F253-F268 HydrophobicContact CG-CE1 3.59Å; F253-F268 HydrophobicContact CG-CE2 4.47Å; F253-F268 AromaticContact CG-CZ 3.37Å; F253-F268 HydrophobicContact CG-CZ 3.37Å; F253-F268 HydrophobicContact CZ-CZ 4.07Å; L266-F268 HydrophobicContact CD1-CE2 4.06Å; L266-F268 HydrophobicContact CD1-CZ 4.04Å; L266-F268 HydrophobicContact CD2-CD2 4.39Å; L266-F268 HydrophobicContact CD2-CE2 3.43Å; L266-F268 VanDerWaalsContact CD2-CE2 3.43Å; L266-F268 HydrophobicContact CD2-CZ 3.86Å; L266-F268 HydrophobicContact CG-CD2 4.12Å; L266-F268 HydrophobicContact CG-CE2 3.55Å; L266-F268 HydrophobicContact CG-CZ 4.03Å; F268-N271 VanDerWaalsContact O-CB 3.24Å; F268-N271 WeakPolarHBondContact O-CB 3.1Å; F268-N271 PolarHBondContact O-N 2.87Å; F268-N271 PolarHBondContact O-ND2 2.68Å; F268-P277 HydrophobicContact CD2-CG 4.49Å; F268-P277 HydrophobicContact CE2-CG 4.15Å; F268-L287 HydrophobicContact CD2-CD1 4.17Å; F268-L287 HydrophobicContact CE2-CD1 4.34Å; F268-L288 PolarHBondContact N-O 2.77Å; F268-M289 HydrophobicContact CB-CG 4.23Å; F268-M289 HydrophobicContact CD2-CG 4.33Å
269	S	98.1	Very high	93	Very high	10 Å²	10	44.6 Å²	44.6	7%	0.07	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.1	145.2	-173	-61.7	0	0	0	0	112.6	S246 S247 D267 N271 S290	S246-S269 CarbonylContact C-O 3.32Å; S246-S269 WeakPolarHBondContact CA-O 3.41Å; S246-S269 VanDerWaalsContact CB-O 3.22Å; S246-S269 WeakPolarHBondContact CB-O 3.49Å; S247-S269 PolarHBondContact N-O 3.03Å; D267-S269 WeakPolarHBondContact OD1-CA 3.32Å; D267-S269 WeakPolarHBondContact OD1-CB 3.31Å; D267-S269 PolarHBondContact OD1-N 2.84Å; D267-S269 PolarHBondContact OD1-OG 2.84Å; S269-N271 VanDerWaalsContact C-N 3.27Å; S269-N271 PolarHBondContact O-N 2.96Å; S269-N271 PolarHBondContact O-ND2 3.09Å; S269-S290 CarbonylContact C-O 3.57Å; S269-S290 WeakPolarHBondContact CA-O 3.44Å; S269-S290 WeakPolarHBondContact CB-OG 3.14Å; S269-S290 PolarHBondContact OG-N 2.87Å; S269-S290 PolarHBondContact OG-OG 2.76Å
270	S	97.7	Very high	93.2	Very high	45 Å²	45	46.8 Å²	46.8	32%	0.315	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.8	37.3	-177.6	-56.7	0	0	0	0	113.8	S247 S290 N291	S247-S270 WeakPolarHBondContact CA-O 3.38Å; S270-S290 PolarHBondContact N-O 3.43Å; S270-N291 WeakPolarHBondContact CA-O 3.43Å; S270-N291 PolarHBondContact OG-ND2 2.92Å
271	N	97.1	Very high	93.5	Very high	3 Å²	3	40.7 Å²	40.7	2%	0.016	19%	0.186	C	C	.	.	S	Bend	trans	-111.6	151.6	167.3	-82.2	-83.8	0	0	0	111.4	L245 N248 R249 I250 F268 S269 L273 T292	L245-N271 PolarHBondContact O-ND2 2.89Å; N248-N271 WeakPolarHBondContact CA-OD1 3.27Å; N248-N271 WeakPolarHBondContact CB-OD1 3.34Å; N248-N271 PolarHBondContact N-OD1 3.2Å; N248-N271 PolarHBondContact O-OD1 3.42Å; R249-N271 PolarHBondContact N-OD1 2.99Å; I250-N271 HydrophobicContact CB-CB 4.36Å; I250-N271 WeakPolarHBondContact CB-OD1 3.27Å; I250-N271 PolarHBondContact N-OD1 3.37Å; I250-N271 WeakPolarHBondContact O-CB 3.22Å; F268-N271 VanDerWaalsContact O-CB 3.24Å; F268-N271 WeakPolarHBondContact O-CB 3.1Å; F268-N271 PolarHBondContact O-N 2.87Å; F268-N271 PolarHBondContact O-ND2 2.68Å; S269-N271 VanDerWaalsContact C-N 3.27Å; S269-N271 PolarHBondContact O-N 2.96Å; S269-N271 PolarHBondContact O-ND2 3.09Å; N271-L273 PolarHBondContact O-N 2.91Å; N271-T292 VanDerWaalsContact O-CA 3.25Å; N271-T292 WeakPolarHBondContact O-CA 3.25Å; N271-T292 WeakPolarHBondContact O-CB 3.2Å; N271-T292 WeakPolarHBondContact O-CG2 3.41Å
272	P	94.4	Very high	93.6	Very high	30 Å²	30	44.7 Å²	44.7	20%	0.195	21%	0.21	C	C	.	.			trans	-72.5	34.5	177.3	31.2	-36.2	0	0	0	114.5	I250 E274 R293	I250-P272 CarbonylContact O-C 3.22Å; I250-P272 WeakPolarHBondContact O-CD 3.43Å; P272-E274 PolarHBondContact O-N 3.28Å; P272-R293 VanDerWaalsContact CB-CZ 3.45Å; P272-R293 VanDerWaalsContact CB-NE 3.27Å; P272-R293 VanDerWaalsContact CB-NH2 3.35Å; P272-R293 PolarHBondContact O-NE 2.92Å
273	L	93	Very high	93.6	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.005	21%	0.21	C	C	.	.			trans	-64.1	122.3	-176.2	-174.3	73.2	0	0	0	111	I250 N271 K275 M289 T292 R293 L294	I250-L273 PolarHBondContact O-N 2.79Å; N271-L273 PolarHBondContact O-N 2.91Å; L273-K275 WeakPolarHBondContact CD1-O 3.2Å; L273-K275 VanDerWaalsContact CG-O 3.23Å; L273-K275 WeakPolarHBondContact CG-O 3.35Å; L273-M289 HydrophobicContact CD2-CG 4.45Å; L273-M289 HydrophobicContact CD2-SD 3.98Å; L273-T292 HydrophobicContact CB-CG2 4.03Å; L273-R293 CarbonylContact O-C 3.49Å; L273-R293 VanDerWaalsContact O-CA 3.25Å; L273-R293 WeakPolarHBondContact O-CA 3.34Å; L273-R293 PolarHBondContact O-N 3.29Å; L273-L294 HydrophobicContact CD2-CD2 4.21Å; L273-L294 HydrophobicContact CG-CD2 4.28Å; L273-L294 PolarHBondContact O-N 2.85Å; L273-L294 VanDerWaalsContact O-N 3.07Å
274	E	87.9	Confident	93.6	Very high	54 Å²	54	43.8 Å²	43.8	25%	0.252	21%	0.209	S	C	.	.			trans	-96.9	-22.1	-174.3	-65.3	179.7	-173.8	0	0	113.4	S251 P272 R293	S251-E274 PolarHBondContact O-N 2.91Å; P272-E274 PolarHBondContact O-N 3.28Å; E274-R293 IonicContact OE1-NH2 3.84Å; E274-R293 PolarHBondContact OE1-NH2 3.14Å
275	K	87.3	Confident	93.6	Very high	106 Å²	106	43.6 Å²	43.6	46%	0.461	21%	0.207	S	C	.	.	S	Bend	trans	-138.2	152.3	-178.9	-63.4	-179.3	-177	175.3	0	110.2	L273	L273-K275 WeakPolarHBondContact CD1-O 3.2Å; L273-K275 VanDerWaalsContact CG-O 3.23Å; L273-K275 WeakPolarHBondContact CG-O 3.35Å
276	T	90.3	Very high	93.7	Very high	14 Å²	14	48.2 Å²	48.2	9%	0.086	22%	0.223	C	C	.	.			trans	-61.1	134.7	174.7	51.7	0	0	0	0	110.3	L294 V297 S301 F302	T276-L294 HydrophobicContact CG2-CD2 4.24Å; T276-V297 HydrophobicContact CG2-CB 4.23Å; T276-V297 HydrophobicContact CG2-CG1 4.04Å; T276-V297 HydrophobicContact CG2-CG2 4.11Å; T276-S301 PolarHBondContact OG1-OG 3.5Å; T276-F302 HydrophobicContact CG2-CZ 3.78Å
277	P	90.3	Very high	93.7	Very high	3 Å²	3	48.2 Å²	48.2	2%	0.019	22%	0.223	C	C	.	.			trans	-71.3	140.9	-179.3	31.6	-32.6	0	0	0	109.6	F253 F268 L279 M289	F253-P277 HydrophobicContact CB-CB 4.25Å; F253-P277 HydrophobicContact CD1-CB 4.43Å; F268-P277 HydrophobicContact CD2-CG 4.49Å; F268-P277 HydrophobicContact CE2-CG 4.15Å; P277-L279 HydrophobicContact CB-CD1 4.43Å; P277-L279 HydrophobicContact CB-CD2 3.99Å; P277-L279 HydrophobicContact CB-CG 3.96Å; P277-L279 HydrophobicContact CG-CD1 3.93Å; P277-L279 HydrophobicContact CG-CD2 4.39Å; P277-L279 HydrophobicContact CG-CG 3.98Å; P277-L279 PolarHBondContact O-N 3.46Å; P277-M289 WeakPolarHBondContact CD-SD 3.34Å; P277-M289 HydrophobicContact CG-SD 4.03Å
278	R	86.1	Confident	93.7	Very high	194 Å²	194	48.4 Å²	48.4	73%	0.732	22%	0.224	S	C	*	.			trans	-88.6	92.7	173.4	-73.2	-174.4	173.3	-178.5	-3.2	108.9
279	L	89.8	Confident	93.7	Very high	4 Å²	4	48.4 Å²	48.4	2%	0.021	22%	0.223	C	C	.	.			trans	-100	140.7	-175.8	-57.6	174.3	0	0	0	110.1	F253 L257 L266 P277 L284 L287 L305	F253-L279 HydrophobicContact CD1-CD2 3.71Å; F253-L279 HydrophobicContact CE1-CD2 3.71Å; L257-L279 HydrophobicContact CD1-CD2 3.9Å; L266-L279 HydrophobicContact CD2-CD1 3.63Å; L266-L279 HydrophobicContact CD2-CD2 4.15Å; P277-L279 HydrophobicContact CB-CD1 4.43Å; P277-L279 HydrophobicContact CB-CD2 3.99Å; P277-L279 HydrophobicContact CB-CG 3.96Å; P277-L279 HydrophobicContact CG-CD1 3.93Å; P277-L279 HydrophobicContact CG-CD2 4.39Å; P277-L279 HydrophobicContact CG-CG 3.98Å; P277-L279 PolarHBondContact O-N 3.46Å; L279-L284 HydrophobicContact CD1-CD2 4.18Å; L279-L287 HydrophobicContact CD1-CD1 3.96Å; L279-L287 HydrophobicContact CD1-CD2 4.28Å; L279-L305 HydrophobicContact CB-CD1 4.4Å; L279-L305 HydrophobicContact CB-CD2 3.96Å
280	R	89.2	Confident	93.6	Very high	198 Å²	198	48.9 Å²	48.9	75%	0.747	23%	0.227	S	C	*	.			trans	-117.9	94.9	168.4	-67.9	-176.6	-176.6	167.8	0.5	107.9	E304	R280-E304 HydrophobicContact CG-CB 4.13Å; R280-E304 HydrophobicContact CG-CG 4.21Å
281	C	93	Very high	93.6	Very high	1 Å²	1	51 Å²	51	1%	0.007	23%	0.234	C	C	.	.			trans	-152.4	100.5	-178	-167	0	0	0	0	111	L257 C261 S283 L284 E304 L305	L257-C281 HydrophobicContact CD1-CB 4.39Å; C261-C281 HydrophobicContact CB-CB 3.69Å; C261-C281 WeakPolarHBondContact CB-SG 3.43Å; C261-C281 WeakPolarHBondContact SG-CB 3.34Å; C261-C281 CovalentContact SG-SG 2.04Å; C261-C281 PolarHBondContact SG-SG 3.09Å; C281-S283 VanDerWaalsContact C-N 3.25Å; C281-S283 PolarHBondContact O-N 2.96Å; C281-L284 HydrophobicContact CB-CB 4.13Å; C281-L284 PolarHBondContact O-N 3.33Å; C281-E304 PolarHBondContact N-O 2.92Å; C281-L305 HydrophobicContact CB-CD2 4.06Å; C281-L305 VanDerWaalsContact O-CD2 3.31Å; C281-L305 WeakPolarHBondContact O-CD2 3.11Å
282	V	92.4	Very high	93.5	Very high	92 Å²	92	51 Å²	51	56%	0.558	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-31.6	-171.6	-178.5	0	0	0	0	112.2	P306 S307	V282-P306 HydrophobicContact CB-CG 4.44Å; V282-P306 HydrophobicContact CG1-CG 3.76Å; V282-S307 WeakPolarHBondContact O-CB 3.34Å; V282-S307 PolarHBondContact O-OG 3.44Å
283	S	95.2	Very high	93.4	Very high	40 Å²	40	55 Å²	55	28%	0.28	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-3.4	-176.7	-56.4	0	0	0	0	114.9	L263 C281 K285	L263-S283 CarbonylContact O-C 3.5Å; C281-S283 VanDerWaalsContact C-N 3.25Å; C281-S283 PolarHBondContact O-N 2.96Å; S283-K285 PolarHBondContact O-N 2.97Å
284	L	96.5	Very high	93.3	Very high	0 Å²	0	55 Å²	55	0%	0	25%	0.246	C	C	.	.			trans	-67.4	120	-174.2	-165.1	75.1	0	0	0	110.8	L263 L266 L279 C281 L287 L305 S307 L308	L263-L284 HydrophobicContact CB-CD1 4.24Å; L263-L284 HydrophobicContact CD2-CD1 3.92Å; L263-L284 HydrophobicContact CG-CD1 4.04Å; L263-L284 WeakPolarHBondContact O-CA 3.41Å; L263-L284 PolarHBondContact O-N 3.11Å; L263-L284 VanDerWaalsContact O-N 3.09Å; L266-L284 HydrophobicContact CB-CD1 3.79Å; L266-L284 HydrophobicContact CB-CD2 4.46Å; L279-L284 HydrophobicContact CD1-CD2 4.18Å; C281-L284 HydrophobicContact CB-CB 4.13Å; C281-L284 PolarHBondContact O-N 3.33Å; L284-L287 HydrophobicContact CD2-CB 4.24Å; L284-L287 HydrophobicContact CD2-CD1 4.48Å; L284-L305 HydrophobicContact CB-CD2 4.23Å; L284-L305 HydrophobicContact CD2-CD1 4.15Å; L284-L305 HydrophobicContact CD2-CD2 4.12Å; L284-S307 CarbonylContact O-C 3.56Å; L284-L308 HydrophobicContact CD2-CD1 4.41Å; L284-L308 WeakPolarHBondContact O-CA 3.45Å; L284-L308 PolarHBondContact O-N 3.42Å; L284-L308 VanDerWaalsContact O-N 3.07Å
285	K	97.8	Very high	93.3	Very high	82 Å²	82	52.6 Å²	52.6	36%	0.357	24%	0.235	S	C	.	.			trans	-101.2	-36	-178.7	-65.6	171.1	-175.7	164.2	0	112.2	E264 S283 S307 K309 E310	E264-K285 HydrophobicContact CB-CD 4.36Å; E264-K285 VanDerWaalsContact CD-NZ 3.32Å; E264-K285 WeakPolarHBondContact O-CA 3.42Å; E264-K285 WeakPolarHBondContact O-CB 3.33Å; E264-K285 PolarHBondContact O-N 3.05Å; E264-K285 IonicContact OE1-NZ 3.76Å; E264-K285 PolarHBondContact OE1-NZ 2.84Å; E264-K285 IonicContact OE2-NZ 3.97Å; S283-K285 PolarHBondContact O-N 2.97Å; K285-S307 WeakPolarHBondContact CA-O 3.32Å; K285-K309 PolarHBondContact O-N 2.98Å; K285-E310 PolarHBondContact O-N 3.29Å
286	R	98.3	Very high	93.4	Very high	107 Å²	107	49 Å²	49	40%	0.404	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	126.6	-177.6	-55.3	-168.4	-64.7	-117.9	-1.1	111.3	E264 S265 L266 E310	E264-R286 PolarHBondContact O-N 3.35Å; S265-R286 PolarHBondContact OG-NE 3.44Å; S265-R286 PolarHBondContact OG-NH2 3.33Å; S265-R286 VanDerWaalsContact OG-NH2 3.15Å; L266-R286 PolarHBondContact N-O 3.12Å; R286-E310 WeakPolarHBondContact CA-O 3.41Å; R286-E310 HydrophobicContact CB-CB 4.36Å; R286-E310 WeakPolarHBondContact CD-OE2 3.32Å; R286-E310 HydrophobicContact CG-CB 4Å
287	L	97.6	Very high	93.5	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	111.6	172.6	179.6	60.1	0	0	0	109.3	L266 F268 L279 L284 M289 F302 L305 L308 E310 L311 D312	L266-L287 HydrophobicContact CB-CD1 4.28Å; L266-L287 HydrophobicContact CD2-CD1 4.3Å; L266-L287 HydrophobicContact CG-CD1 4.31Å; F268-L287 HydrophobicContact CD2-CD1 4.17Å; F268-L287 HydrophobicContact CE2-CD1 4.34Å; L279-L287 HydrophobicContact CD1-CD1 3.96Å; L279-L287 HydrophobicContact CD1-CD2 4.28Å; L284-L287 HydrophobicContact CD2-CB 4.24Å; L284-L287 HydrophobicContact CD2-CD1 4.48Å; L287-M289 HydrophobicContact CD1-CG 4.21Å; L287-M289 HydrophobicContact CD1-SD 4.36Å; L287-M289 HydrophobicContact CD2-CE 3.79Å; L287-M289 HydrophobicContact CD2-SD 4.12Å; L287-M289 HydrophobicContact CG-CE 4.02Å; L287-M289 HydrophobicContact CG-CG 4.18Å; L287-M289 HydrophobicContact CG-SD 4.19Å; L287-F302 HydrophobicContact CD2-CD1 4.16Å; L287-F302 HydrophobicContact CD2-CE1 3.72Å; L287-F302 HydrophobicContact CD2-CZ 4.22Å; L287-L305 HydrophobicContact CD2-CD1 4.47Å; L287-L308 HydrophobicContact CB-CD1 3.7Å; L287-E310 PolarHBondContact N-O 2.76Å; L287-L311 HydrophobicContact CB-CD1 4.24Å; L287-L311 HydrophobicContact CD2-CD1 4.09Å; L287-L311 HydrophobicContact CG-CD1 4.19Å; L287-L311 WeakPolarHBondContact O-CA 3.45Å; L287-D312 PolarHBondContact O-N 3.1Å
288	L	98.3	Very high	93.4	Very high	32 Å²	32	50.4 Å²	50.4	17%	0.168	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	123	-177.7	-50	178.4	0	0	0	109.2	L266 D267 F268 D312	L266-L288 PolarHBondContact O-N 3.49Å; D267-L288 HydrophobicContact CB-CB 4.2Å; D267-L288 HydrophobicContact CB-CD1 4.31Å; D267-L288 WeakPolarHBondContact OD1-CB 3.24Å; F268-L288 PolarHBondContact N-O 2.77Å; L288-D312 HydrophobicContact CD2-CB 3.62Å
289	M	96.8	Very high	93.6	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	19%	0.19	C	C	.	.			trans	-138.7	32.1	-178	-62.8	-177.5	-64.9	0	0	110.7	F268 L273 P277 L287 T292 L294 F302 L311 D312 V313 C316	F268-M289 HydrophobicContact CB-CG 4.23Å; F268-M289 HydrophobicContact CD2-CG 4.33Å; L273-M289 HydrophobicContact CD2-CG 4.45Å; L273-M289 HydrophobicContact CD2-SD 3.98Å; P277-M289 WeakPolarHBondContact CD-SD 3.34Å; P277-M289 HydrophobicContact CG-SD 4.03Å; L287-M289 HydrophobicContact CD1-CG 4.21Å; L287-M289 HydrophobicContact CD1-SD 4.36Å; L287-M289 HydrophobicContact CD2-CE 3.79Å; L287-M289 HydrophobicContact CD2-SD 4.12Å; L287-M289 HydrophobicContact CG-CE 4.02Å; L287-M289 HydrophobicContact CG-CG 4.18Å; L287-M289 HydrophobicContact CG-SD 4.19Å; M289-T292 HydrophobicContact CB-CG2 4.3Å; M289-T292 WeakPolarHBondContact O-CG2 3.22Å; M289-T292 PolarHBondContact O-OG1 2.68Å; M289-L294 HydrophobicContact CB-CD1 4.26Å; M289-L294 HydrophobicContact CE-CD1 4.37Å; M289-L294 HydrophobicContact SD-CD1 4.37Å; M289-F302 HydrophobicContact CE-CE1 4.47Å; M289-F302 HydrophobicContact CE-CZ 3.92Å; M289-L311 HydrophobicContact CE-CD1 3.59Å; M289-D312 CarbonylContact C-O 3.14Å; M289-D312 WeakPolarHBondContact CA-O 3.27Å; M289-D312 PolarHBondContact N-O 3.26Å; M289-V313 HydrophobicContact CB-CG1 4.32Å; M289-V313 HydrophobicContact CE-CG1 3.85Å; M289-C316 PolarHBondContact O-SG 3.11Å
290	S	97.4	Very high	93.5	Very high	21 Å²	21	45.3 Å²	45.3	15%	0.147	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	152.1	-179.4	70.9	0	0	0	0	111.7	S269 S270 T292 D312 S314	S269-S290 CarbonylContact C-O 3.57Å; S269-S290 WeakPolarHBondContact CA-O 3.44Å; S269-S290 WeakPolarHBondContact CB-OG 3.14Å; S269-S290 PolarHBondContact OG-N 2.87Å; S269-S290 PolarHBondContact OG-OG 2.76Å; S270-S290 PolarHBondContact N-O 3.43Å; S290-T292 VanDerWaalsContact C-N 3.27Å; S290-T292 PolarHBondContact O-N 3.26Å; S290-D312 PolarHBondContact N-O 2.99Å; S290-S314 CarbonylContact C-O 3.53Å; S290-S314 WeakPolarHBondContact CA-O 3.18Å; S290-S314 WeakPolarHBondContact CB-O 3.36Å; S290-S314 WeakPolarHBondContact CB-OG 3.5Å
291	N	97	Very high	93.4	Very high	88 Å²	88	36.6 Å²	36.6	47%	0.471	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.9	44.3	178	-172.3	35.5	0	0	0	112.9	S270 S314	S270-N291 WeakPolarHBondContact CA-O 3.43Å; S270-N291 PolarHBondContact OG-ND2 2.92Å; N291-S314 PolarHBondContact N-O 3.25Å
292	T	95.7	Very high	93.3	Very high	5 Å²	5	36.6 Å²	36.6	3%	0.031	18%	0.178	C	C	.	.			trans	-104.1	-179.9	175.1	59.3	0	0	0	0	111.6	N271 L273 M289 S290 L294 C316	N271-T292 VanDerWaalsContact O-CA 3.25Å; N271-T292 WeakPolarHBondContact O-CA 3.25Å; N271-T292 WeakPolarHBondContact O-CB 3.2Å; N271-T292 WeakPolarHBondContact O-CG2 3.41Å; L273-T292 HydrophobicContact CB-CG2 4.03Å; M289-T292 HydrophobicContact CB-CG2 4.3Å; M289-T292 WeakPolarHBondContact O-CG2 3.22Å; M289-T292 PolarHBondContact O-OG1 2.68Å; S290-T292 VanDerWaalsContact C-N 3.27Å; S290-T292 PolarHBondContact O-N 3.26Å; T292-L294 VanDerWaalsContact C-N 3.34Å; T292-L294 WeakPolarHBondContact OG1-CD1 3.28Å; T292-L294 VanDerWaalsContact OG1-CG 3.3Å; T292-L294 WeakPolarHBondContact OG1-CG 3.4Å; T292-C316 PolarHBondContact N-SG 3.24Å; T292-C316 PolarHBondContact OG1-SG 3.26Å
293	R	91.3	Very high	93.2	Very high	113 Å²	113	37.4 Å²	37.4	43%	0.426	17%	0.171	S	C	.	.			trans	-100	25.9	177.5	-63.6	-165.3	-65.4	-174.2	8.9	112.3	P272 L273 E274 T295	P272-R293 VanDerWaalsContact CB-CZ 3.45Å; P272-R293 VanDerWaalsContact CB-NE 3.27Å; P272-R293 VanDerWaalsContact CB-NH2 3.35Å; P272-R293 PolarHBondContact O-NE 2.92Å; L273-R293 CarbonylContact O-C 3.49Å; L273-R293 VanDerWaalsContact O-CA 3.25Å; L273-R293 WeakPolarHBondContact O-CA 3.34Å; L273-R293 PolarHBondContact O-N 3.29Å; E274-R293 IonicContact OE1-NH2 3.84Å; E274-R293 PolarHBondContact OE1-NH2 3.14Å; R293-T295 PolarHBondContact O-N 3.37Å
294	L	91.7	Very high	92.9	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	18%	0.182	C	C	.	.			trans	-62	132.6	175.9	-68.7	173.7	0	0	0	109.7	L273 T276 M289 T292 V297 V313 F318 L319	L273-L294 HydrophobicContact CD2-CD2 4.21Å; L273-L294 HydrophobicContact CG-CD2 4.28Å; L273-L294 PolarHBondContact O-N 2.85Å; L273-L294 VanDerWaalsContact O-N 3.07Å; T276-L294 HydrophobicContact CG2-CD2 4.24Å; M289-L294 HydrophobicContact CB-CD1 4.26Å; M289-L294 HydrophobicContact CE-CD1 4.37Å; M289-L294 HydrophobicContact SD-CD1 4.37Å; T292-L294 VanDerWaalsContact C-N 3.34Å; T292-L294 WeakPolarHBondContact OG1-CD1 3.28Å; T292-L294 VanDerWaalsContact OG1-CG 3.3Å; T292-L294 WeakPolarHBondContact OG1-CG 3.4Å; L294-V297 HydrophobicContact CD1-CG2 4.35Å; L294-V313 HydrophobicContact CD1-CG1 4.29Å; L294-F318 CarbonylContact O-C 3.45Å; L294-F318 VanDerWaalsContact O-C 3.3Å; L294-L319 VanDerWaalsContact O-CA 3.28Å; L294-L319 WeakPolarHBondContact O-CA 3.48Å; L294-L319 PolarHBondContact O-N 3.34Å
295	T	87.6	Confident	92.8	Very high	4 Å²	4	40.7 Å²	40.7	3%	0.025	18%	0.182	C	C	.	.	S	Bend	trans	-103	-31.2	176.1	54.4	0	0	0	0	112.8	R293 F318 Q320 Y430	R293-T295 PolarHBondContact O-N 3.37Å; T295-F318 WeakPolarHBondContact CA-O 3.34Å; T295-F318 HydrophobicContact CG2-CB 4.01Å; T295-Q320 PolarHBondContact O-N 2.94Å; T295-Y430 HydrophobicContact CG2-CD1 3.92Å; T295-Y430 HydrophobicContact CG2-CD2 3.9Å; T295-Y430 HydrophobicContact CG2-CE1 3.48Å; T295-Y430 VanDerWaalsContact CG2-CE1 3.48Å; T295-Y430 HydrophobicContact CG2-CE2 3.48Å; T295-Y430 VanDerWaalsContact CG2-CE2 3.48Å; T295-Y430 HydrophobicContact CG2-CG 4.11Å
296	Y	89.1	Confident	92.6	Very high	31 Å²	31	40.1 Å²	40.1	12%	0.122	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	157.5	170.9	63.6	-85.3	0	0	0	109.9	Q298 N321 I481 P482	Y296-Q298 HydrophobicContact CD2-CB 4.31Å; Y296-Q298 HydrophobicContact CE2-CB 4.26Å; Y296-N321 WeakPolarHBondContact CA-O 3.46Å; Y296-I481 HydrophobicContact CD1-CB 3.94Å; Y296-I481 HydrophobicContact CD1-CD1 4.18Å; Y296-I481 HydrophobicContact CD1-CG2 4.33Å; Y296-I481 HydrophobicContact CE1-CB 3.94Å; Y296-I481 HydrophobicContact CE1-CG2 3.94Å; Y296-P482 HydrophobicContact CD2-CB 4.08Å; Y296-P482 HydrophobicContact CD2-CG 3.84Å; Y296-P482 HydrophobicContact CE1-CG 4.49Å; Y296-P482 HydrophobicContact CE2-CB 4.38Å; Y296-P482 HydrophobicContact CE2-CG 3.64Å; Y296-P482 HydrophobicContact CG-CB 4.42Å; Y296-P482 HydrophobicContact CG-CG 4.36Å
297	V	92.8	Very high	92.5	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	118.9	171.5	171.8	0	0	0	0	108.6	T276 L294 L299 F302 V313 L319 N321 F322 V323	T276-V297 HydrophobicContact CG2-CB 4.23Å; T276-V297 HydrophobicContact CG2-CG1 4.04Å; T276-V297 HydrophobicContact CG2-CG2 4.11Å; L294-V297 HydrophobicContact CD1-CG2 4.35Å; V297-L299 HydrophobicContact CG1-CD2 4.19Å; V297-F302 HydrophobicContact CG1-CE2 3.77Å; V297-F302 HydrophobicContact CG1-CZ 4.29Å; V297-V313 HydrophobicContact CG2-CG1 4.26Å; V297-L319 HydrophobicContact CB-CD1 4.49Å; V297-L319 HydrophobicContact CG2-CD1 3.81Å; V297-L319 HydrophobicContact CG2-CD2 4.16Å; V297-N321 PolarHBondContact N-O 2.86Å; V297-N321 VanDerWaalsContact N-O 3.08Å; V297-F322 HydrophobicContact CB-CD1 3.69Å; V297-F322 HydrophobicContact CB-CE1 3.61Å; V297-F322 HydrophobicContact CB-CE2 4.46Å; V297-F322 HydrophobicContact CB-CG 4.2Å; V297-F322 HydrophobicContact CB-CZ 4.03Å; V297-F322 HydrophobicContact CG1-CD1 3.74Å; V297-F322 HydrophobicContact CG1-CE1 3.5Å; V297-F322 HydrophobicContact CG1-CZ 4.28Å; V297-F322 HydrophobicContact CG2-CE1 4.13Å; V297-F322 HydrophobicContact CG2-CZ 4.1Å; V297-F322 WeakPolarHBondContact O-CA 3.36Å; V297-V323 PolarHBondContact O-N 2.97Å
298	Q	88.2	Confident	92.4	Very high	46 Å²	46	37.1 Å²	37.1	22%	0.215	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	104.8	176	-170.1	178.7	-19.6	0	0	109.3	Y296 E300 S301	Y296-Q298 HydrophobicContact CD2-CB 4.31Å; Y296-Q298 HydrophobicContact CE2-CB 4.26Å; Q298-E300 HydrophobicContact CG-CB 4.27Å; Q298-E300 PolarHBondContact NE2-OE2 2.84Å; Q298-E300 PolarHBondContact O-N 2.86Å; Q298-S301 WeakPolarHBondContact O-CB 3.4Å; Q298-S301 PolarHBondContact O-N 2.8Å; Q298-S301 PolarHBondContact O-OG 2.94Å
299	L	90.6	Very high	92.4	Very high	1 Å²	1	40 Å²	40	1%	0.005	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-61.1	-26.7	-174	-67.6	-174	0	0	0	113.4	V297 S301 F302 F322 V323 V326 D329 V330 F350	V297-L299 HydrophobicContact CG1-CD2 4.19Å; L299-S301 PolarHBondContact O-N 3.1Å; L299-S301 VanDerWaalsContact O-N 3.1Å; L299-F302 HydrophobicContact CD2-CD2 4.02Å; L299-F302 HydrophobicContact CD2-CE2 4.22Å; L299-F302 WeakPolarHBondContact O-CA 3.48Å; L299-F302 WeakPolarHBondContact O-CB 3.38Å; L299-F302 PolarHBondContact O-N 2.86Å; L299-F322 HydrophobicContact CD2-CD1 4.34Å; L299-F322 HydrophobicContact CD2-CE1 4.49Å; L299-V323 PolarHBondContact N-O 2.9Å; L299-V326 HydrophobicContact CD1-CG2 3.96Å; L299-D329 HydrophobicContact CB-CB 3.67Å; L299-V330 HydrophobicContact CB-CG2 4.49Å; L299-F350 HydrophobicContact CD1-CD2 4.34Å; L299-F350 HydrophobicContact CD1-CE2 3.41Å; L299-F350 VanDerWaalsContact CD1-CE2 3.41Å; L299-F350 HydrophobicContact CD1-CZ 3.65Å; L299-F350 HydrophobicContact CD2-CZ 4.48Å; L299-F350 HydrophobicContact CG-CE2 4.04Å; L299-F350 HydrophobicContact CG-CZ 4.28Å
300	E	87.2	Confident	92.4	Very high	90 Å²	90	42.8 Å²	42.8	42%	0.421	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-54.5	-29.4	174.1	175.5	169.7	-140.3	0	0	113.1	Q298 F302 R303	Q298-E300 HydrophobicContact CG-CB 4.27Å; Q298-E300 PolarHBondContact NE2-OE2 2.84Å; Q298-E300 PolarHBondContact O-N 2.86Å; E300-F302 PolarHBondContact O-N 2.84Å; E300-F302 VanDerWaalsContact O-N 3.13Å; E300-R303 PolarHBondContact O-N 2.84Å; E300-R303 IonicContact OE1-CZ 2.88Å; E300-R303 IonicContact OE1-NH1 3.97Å; E300-R303 PolarHBondContact OE1-NH1 2.76Å; E300-R303 IonicContact OE1-NH2 3.12Å; E300-R303 PolarHBondContact OE1-NH2 2.89Å
301	S	85.9	Confident	92.4	Very high	16 Å²	16	41.9 Å²	41.9	11%	0.112	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-63.8	-16.1	175.9	-55.1	0	0	0	0	113.2	T276 Q298 L299	T276-S301 PolarHBondContact OG1-OG 3.5Å; Q298-S301 WeakPolarHBondContact O-CB 3.4Å; Q298-S301 PolarHBondContact O-N 2.8Å; Q298-S301 PolarHBondContact O-OG 2.94Å; L299-S301 PolarHBondContact O-N 3.1Å; L299-S301 VanDerWaalsContact O-N 3.1Å
302	F	92	Very high	92.5	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-106.8	5	-177.7	-51.1	-40.1	0	0	0	113.3	T276 L287 M289 V297 L299 E300 E304 L305 L311 V330	T276-F302 HydrophobicContact CG2-CZ 3.78Å; L287-F302 HydrophobicContact CD2-CD1 4.16Å; L287-F302 HydrophobicContact CD2-CE1 3.72Å; L287-F302 HydrophobicContact CD2-CZ 4.22Å; M289-F302 HydrophobicContact CE-CE1 4.47Å; M289-F302 HydrophobicContact CE-CZ 3.92Å; V297-F302 HydrophobicContact CG1-CE2 3.77Å; V297-F302 HydrophobicContact CG1-CZ 4.29Å; L299-F302 HydrophobicContact CD2-CD2 4.02Å; L299-F302 HydrophobicContact CD2-CE2 4.22Å; L299-F302 WeakPolarHBondContact O-CA 3.48Å; L299-F302 WeakPolarHBondContact O-CB 3.38Å; L299-F302 PolarHBondContact O-N 2.86Å; E300-F302 PolarHBondContact O-N 2.84Å; E300-F302 VanDerWaalsContact O-N 3.13Å; F302-E304 PolarHBondContact O-N 3.06Å; F302-E304 VanDerWaalsContact O-N 3.13Å; F302-L305 HydrophobicContact CB-CD1 3.99Å; F302-L305 HydrophobicContact CD1-CD1 3.82Å; F302-L305 HydrophobicContact CG-CD1 4.25Å; F302-L305 WeakPolarHBondContact O-CA 3.26Å; F302-L305 VanDerWaalsContact O-CB 3.3Å; F302-L305 WeakPolarHBondContact O-CB 3.44Å; F302-L305 PolarHBondContact O-N 3.38Å; F302-L311 HydrophobicContact CD2-CD2 4.45Å; F302-L311 HydrophobicContact CE2-CD1 4.47Å; F302-L311 HydrophobicContact CE2-CD2 3.98Å; F302-V330 HydrophobicContact CB-CG2 3.54Å; F302-V330 HydrophobicContact CD2-CG2 4.27Å; F302-V330 HydrophobicContact CG-CG2 4.43Å
303	R	90.7	Very high	92.5	Very high	109 Å²	109	38.6 Å²	38.6	41%	0.411	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-30.3	176.7	-78.9	-176.4	-174.4	151.2	13.5	113.7	E300 L305 D329	E300-R303 PolarHBondContact O-N 2.84Å; E300-R303 IonicContact OE1-CZ 2.88Å; E300-R303 IonicContact OE1-NH1 3.97Å; E300-R303 PolarHBondContact OE1-NH1 2.76Å; E300-R303 IonicContact OE1-NH2 3.12Å; E300-R303 PolarHBondContact OE1-NH2 2.89Å; R303-L305 PolarHBondContact O-N 3.29Å; R303-D329 WeakPolarHBondContact CA-O 3.26Å; R303-D329 HydrophobicContact CG-CB 4.28Å; R303-D329 IonicContact CZ-OD1 3.3Å; R303-D329 IonicContact NE-OD1 2.73Å; R303-D329 PolarHBondContact NE-OD1 2.89Å; R303-D329 IonicContact NH2-OD1 3.89Å; R303-D329 PolarHBondContact NH2-OD1 2.79Å
304	E	89.2	Confident	92.8	Very high	108 Å²	108	33.4 Å²	33.4	51%	0.505	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	15.4	178.5	-58.4	-70.2	177	0	0	112.7	R280 C281 F302 P306	R280-E304 HydrophobicContact CG-CB 4.13Å; R280-E304 HydrophobicContact CG-CG 4.21Å; C281-E304 PolarHBondContact N-O 2.92Å; F302-E304 PolarHBondContact O-N 3.06Å; F302-E304 VanDerWaalsContact O-N 3.13Å; E304-P306 WeakPolarHBondContact O-CD 3.49Å
305	L	93.9	Very high	93	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.005	19%	0.188	C	C	.	.			trans	-123.4	62.2	178.5	-51	176.8	0	0	0	111.4	L279 C281 L284 L287 F302 R303 S307 L308	L279-L305 HydrophobicContact CB-CD1 4.4Å; L279-L305 HydrophobicContact CB-CD2 3.96Å; C281-L305 HydrophobicContact CB-CD2 4.06Å; C281-L305 VanDerWaalsContact O-CD2 3.31Å; C281-L305 WeakPolarHBondContact O-CD2 3.11Å; L284-L305 HydrophobicContact CB-CD2 4.23Å; L284-L305 HydrophobicContact CD2-CD1 4.15Å; L284-L305 HydrophobicContact CD2-CD2 4.12Å; L287-L305 HydrophobicContact CD2-CD1 4.47Å; F302-L305 HydrophobicContact CB-CD1 3.99Å; F302-L305 HydrophobicContact CD1-CD1 3.82Å; F302-L305 HydrophobicContact CG-CD1 4.25Å; F302-L305 WeakPolarHBondContact O-CA 3.26Å; F302-L305 VanDerWaalsContact O-CB 3.3Å; F302-L305 WeakPolarHBondContact O-CB 3.44Å; F302-L305 PolarHBondContact O-N 3.38Å; R303-L305 PolarHBondContact O-N 3.29Å; L305-S307 PolarHBondContact O-N 3.35Å; L305-S307 VanDerWaalsContact O-N 3.09Å; L305-L308 HydrophobicContact CB-CB 4.02Å; L305-L308 HydrophobicContact CD1-CD2 4.2Å; L305-L308 WeakPolarHBondContact O-CB 3.38Å; L305-L308 PolarHBondContact O-N 3.06Å; L305-L308 VanDerWaalsContact O-N 3.1Å
306	P	92.7	Very high	93.3	Very high	70 Å²	70	39.4 Å²	39.4	46%	0.455	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-10.9	-174	29.1	-39.1	0	0	0	115.2	V282 E304 S332	V282-P306 HydrophobicContact CB-CG 4.44Å; V282-P306 HydrophobicContact CG1-CG 3.76Å; E304-P306 WeakPolarHBondContact O-CD 3.49Å; P306-S332 WeakPolarHBondContact O-CB 3.45Å; P306-S332 PolarHBondContact O-OG 3.05Å
307	S	95.9	Very high	93.4	Very high	44 Å²	44	41.6 Å²	41.6	31%	0.308	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.5	3.6	176.3	-57.1	0	0	0	0	113.4	V282 L284 K285 L305 K309	V282-S307 WeakPolarHBondContact O-CB 3.34Å; V282-S307 PolarHBondContact O-OG 3.44Å; L284-S307 CarbonylContact O-C 3.56Å; K285-S307 WeakPolarHBondContact CA-O 3.32Å; L305-S307 PolarHBondContact O-N 3.35Å; L305-S307 VanDerWaalsContact O-N 3.09Å; S307-K309 PolarHBondContact O-N 3.23Å; S307-K309 VanDerWaalsContact O-N 3.13Å
308	L	96.7	Very high	93.1	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.225	C	C	.	.			trans	-69.1	111.8	-173	-173.5	68.9	0	0	0	110.4	L284 L287 L305 V330 S332 L333	L284-L308 HydrophobicContact CD2-CD1 4.41Å; L284-L308 WeakPolarHBondContact O-CA 3.45Å; L284-L308 PolarHBondContact O-N 3.42Å; L284-L308 VanDerWaalsContact O-N 3.07Å; L287-L308 HydrophobicContact CB-CD1 3.7Å; L305-L308 HydrophobicContact CB-CB 4.02Å; L305-L308 HydrophobicContact CD1-CD2 4.2Å; L305-L308 WeakPolarHBondContact O-CB 3.38Å; L305-L308 PolarHBondContact O-N 3.06Å; L305-L308 VanDerWaalsContact O-N 3.1Å; L308-V330 HydrophobicContact CB-CG1 4.09Å; L308-V330 HydrophobicContact CD2-CG1 4.07Å; L308-V330 HydrophobicContact CG-CG1 4.47Å; L308-S332 PolarHBondContact N-OG 3.49Å; L308-S332 VanDerWaalsContact N-OG 3.13Å; L308-S332 CarbonylContact O-C 3.47Å; L308-S332 WeakPolarHBondContact O-CB 3.38Å; L308-S332 VanDerWaalsContact O-O 3.1Å; L308-S332 PolarHBondContact O-OG 2.91Å; L308-L333 HydrophobicContact CG-CD1 4.5Å; L308-L333 WeakPolarHBondContact O-CA 3.46Å; L308-L333 PolarHBondContact O-N 2.99Å
309	K	97.3	Very high	93.2	Very high	93 Å²	93	43.8 Å²	43.8	40%	0.404	22%	0.215	S	C	.	.			trans	-100.5	-34.3	-179.8	-68.8	-179.1	175.7	-117.8	0	112.5	K285 S307 E334 H335	K285-K309 PolarHBondContact O-N 2.98Å; S307-K309 PolarHBondContact O-N 3.23Å; S307-K309 VanDerWaalsContact O-N 3.13Å; K309-E334 IonicContact NZ-OE1 2.91Å; K309-E334 PolarHBondContact NZ-OE1 2.9Å; K309-E334 PolarHBondContact O-N 3.46Å; K309-H335 PolarHBondContact O-N 3.43Å
310	E	98.1	Very high	93	Very high	59 Å²	59	45.2 Å²	45.2	28%	0.276	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	123.8	-174.2	-172.9	174.1	-175.7	0	0	111.2	K285 R286 L287 H335	K285-E310 PolarHBondContact O-N 3.29Å; R286-E310 WeakPolarHBondContact CA-O 3.41Å; R286-E310 HydrophobicContact CB-CB 4.36Å; R286-E310 WeakPolarHBondContact CD-OE2 3.32Å; R286-E310 HydrophobicContact CG-CB 4Å; L287-E310 PolarHBondContact N-O 2.76Å; E310-H335 WeakPolarHBondContact CA-O 3.26Å; E310-H335 HydrophobicContact CB-CB 4.17Å; E310-H335 HydrophobicContact CG-CB 4Å
311	L	97.5	Very high	93	Very high	2 Å²	2	41.9 Å²	41.9	1%	0.01	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	117.1	173.8	178.5	61.7	0	0	0	109.2	L287 M289 F302 V313 L333 H335 L336 N337	L287-L311 HydrophobicContact CB-CD1 4.24Å; L287-L311 HydrophobicContact CD2-CD1 4.09Å; L287-L311 HydrophobicContact CG-CD1 4.19Å; L287-L311 WeakPolarHBondContact O-CA 3.45Å; M289-L311 HydrophobicContact CE-CD1 3.59Å; F302-L311 HydrophobicContact CD2-CD2 4.45Å; F302-L311 HydrophobicContact CE2-CD1 4.47Å; F302-L311 HydrophobicContact CE2-CD2 3.98Å; L311-V313 HydrophobicContact CD1-CG1 4.22Å; L311-V313 HydrophobicContact CG-CG1 4.37Å; L311-L333 HydrophobicContact CB-CD1 3.71Å; L311-H335 PolarHBondContact N-O 3.1Å; L311-L336 HydrophobicContact CB-CD1 4.11Å; L311-L336 HydrophobicContact CD2-CD1 3.98Å; L311-L336 HydrophobicContact CG-CD1 4.06Å; L311-L336 WeakPolarHBondContact O-CA 3.41Å; L311-N337 PolarHBondContact O-N 3.41Å
312	D	98	Very high	93.3	Very high	24 Å²	24	41.4 Å²	41.4	13%	0.128	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	117.9	174.7	-169.2	-12.7	0	0	0	110.5	L287 L288 M289 S290 S314 N337	L287-D312 PolarHBondContact O-N 3.1Å; L288-D312 HydrophobicContact CD2-CB 3.62Å; M289-D312 CarbonylContact C-O 3.14Å; M289-D312 WeakPolarHBondContact CA-O 3.27Å; M289-D312 PolarHBondContact N-O 3.26Å; S290-D312 PolarHBondContact N-O 2.99Å; D312-S314 WeakPolarHBondContact OD1-CB 3.46Å; D312-S314 PolarHBondContact OD1-N 2.97Å; D312-S314 PolarHBondContact OD1-OG 3.45Å; D312-N337 HydrophobicContact CB-CB 4.26Å; D312-N337 PolarHBondContact OD1-ND2 3.29Å; D312-N337 PolarHBondContact OD2-ND2 2.88Å
313	V	96.5	Very high	93	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.206	C	C	.	.			trans	-126.5	26.3	171.9	-63.8	0	0	0	0	111.2	M289 L294 V297 L311 C316 L319 F322 N337 V338 C341	M289-V313 HydrophobicContact CB-CG1 4.32Å; M289-V313 HydrophobicContact CE-CG1 3.85Å; L294-V313 HydrophobicContact CD1-CG1 4.29Å; V297-V313 HydrophobicContact CG2-CG1 4.26Å; L311-V313 HydrophobicContact CD1-CG1 4.22Å; L311-V313 HydrophobicContact CG-CG1 4.37Å; V313-C316 WeakPolarHBondContact O-CB 3.3Å; V313-C316 PolarHBondContact O-SG 3.25Å; V313-L319 HydrophobicContact CB-CD2 4.02Å; V313-L319 HydrophobicContact CG2-CD2 3.67Å; V313-F322 HydrophobicContact CG2-CE2 4.4Å; V313-F322 HydrophobicContact CG2-CZ 3.78Å; V313-N337 CarbonylContact C-O 3.26Å; V313-N337 WeakPolarHBondContact CG2-O 3.45Å; V313-N337 PolarHBondContact N-O 3.45Å; V313-V338 HydrophobicContact CG2-CG1 3.8Å; V313-C341 PolarHBondContact O-SG 3.33Å
314	S	96.6	Very high	92.8	Very high	4 Å²	4	37.3 Å²	37.3	3%	0.028	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	159.6	178.9	60.1	0	0	0	0	112.8	S290 N291 D312 C316 N337 A339	S290-S314 CarbonylContact C-O 3.53Å; S290-S314 WeakPolarHBondContact CA-O 3.18Å; S290-S314 WeakPolarHBondContact CB-O 3.36Å; S290-S314 WeakPolarHBondContact CB-OG 3.5Å; N291-S314 PolarHBondContact N-O 3.25Å; D312-S314 WeakPolarHBondContact OD1-CB 3.46Å; D312-S314 PolarHBondContact OD1-N 2.97Å; D312-S314 PolarHBondContact OD1-OG 3.45Å; S314-C316 PolarHBondContact O-N 3.37Å; S314-N337 PolarHBondContact N-O 2.88Å; S314-A339 CarbonylContact C-O 3.22Å; S314-A339 WeakPolarHBondContact CA-O 3.36Å; S314-A339 WeakPolarHBondContact CB-O 3.11Å
315	Y	96	Very high	92.9	Very high	130 Å²	130	33.2 Å²	33.2	51%	0.51	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.9	16.3	-179.1	-60.7	-84.7	0	0	0	114.8	S317 A339 W340	Y315-S317 PolarHBondContact O-N 3.49Å; Y315-S317 VanDerWaalsContact O-N 3.13Å; Y315-A339 PolarHBondContact N-O 3.43Å; Y315-W340 WeakPolarHBondContact CA-O 3.43Å; Y315-W340 HydrophobicContact CD1-CB 3.63Å; Y315-W340 HydrophobicContact CD1-CG 4.01Å; Y315-W340 HydrophobicContact CE1-CB 3.82Å; Y315-W340 AromaticContact CE1-CD1 3.5Å; Y315-W340 VanDerWaalsContact CE1-CD1 3.5Å; Y315-W340 HydrophobicContact CE1-CD2 4.41Å; Y315-W340 AromaticContact CE1-CG 3.64Å; Y315-W340 HydrophobicContact CE1-CG 3.64Å; Y315-W340 HydrophobicContact CG-CB 4.15Å; Y315-W340 AromaticContact CZ-CD1 3.47Å; Y315-W340 VanDerWaalsContact CZ-CD1 3.47Å
316	C	95.3	Very high	92.8	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.173	C	C	.	.			trans	-83.2	84.1	173.7	-63.7	0	0	0	0	109.7	M289 T292 V313 S314 F318 L319 C341	M289-C316 PolarHBondContact O-SG 3.11Å; T292-C316 PolarHBondContact N-SG 3.24Å; T292-C316 PolarHBondContact OG1-SG 3.26Å; V313-C316 WeakPolarHBondContact O-CB 3.3Å; V313-C316 PolarHBondContact O-SG 3.25Å; S314-C316 PolarHBondContact O-N 3.37Å; C316-F318 PolarHBondContact O-N 3.31Å; C316-F318 VanDerWaalsContact O-N 3.07Å; C316-L319 HydrophobicContact CB-CB 3.59Å; C316-L319 HydrophobicContact CB-CD2 4.2Å; C316-L319 VanDerWaalsContact O-CB 3.25Å; C316-L319 WeakPolarHBondContact O-CB 3.37Å; C316-L319 PolarHBondContact O-N 2.92Å; C316-C341 WeakPolarHBondContact O-CA 3.12Å; C316-C341 WeakPolarHBondContact O-CB 3.29Å
317	S	90.8	Very high	92.9	Very high	76 Å²	76	33.7 Å²	33.7	53%	0.531	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-15.8	-173.3	59.7	0	0	0	0	115.5	Y315 A342	Y315-S317 PolarHBondContact O-N 3.49Å; Y315-S317 VanDerWaalsContact O-N 3.13Å; S317-A342 WeakPolarHBondContact O-CB 3.28Å
318	F	86.8	Confident	92.6	Very high	93 Å²	93	39 Å²	39	41%	0.408	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	-8.8	173.9	-58.8	-77.3	0	0	0	113	L294 T295 C316 Q320	L294-F318 CarbonylContact O-C 3.45Å; L294-F318 VanDerWaalsContact O-C 3.3Å; T295-F318 WeakPolarHBondContact CA-O 3.34Å; T295-F318 HydrophobicContact CG2-CB 4.01Å; C316-F318 PolarHBondContact O-N 3.31Å; C316-F318 VanDerWaalsContact O-N 3.07Å; F318-Q320 WeakPolarHBondContact O-CG 3.06Å; F318-Q320 PolarHBondContact O-N 3.22Å
319	L	90.4	Very high	92.4	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.189	C	C	.	.			trans	-73	114.2	-176.4	178.3	59.2	0	0	0	109.3	L294 V297 V313 C316 F322 C341 A342 L343	L294-L319 VanDerWaalsContact O-CA 3.28Å; L294-L319 WeakPolarHBondContact O-CA 3.48Å; L294-L319 PolarHBondContact O-N 3.34Å; V297-L319 HydrophobicContact CB-CD1 4.49Å; V297-L319 HydrophobicContact CG2-CD1 3.81Å; V297-L319 HydrophobicContact CG2-CD2 4.16Å; V313-L319 HydrophobicContact CB-CD2 4.02Å; V313-L319 HydrophobicContact CG2-CD2 3.67Å; C316-L319 HydrophobicContact CB-CB 3.59Å; C316-L319 HydrophobicContact CB-CD2 4.2Å; C316-L319 VanDerWaalsContact O-CB 3.25Å; C316-L319 WeakPolarHBondContact O-CB 3.37Å; C316-L319 PolarHBondContact O-N 2.92Å; L319-F322 HydrophobicContact CD2-CE2 3.86Å; L319-F322 HydrophobicContact CD2-CZ 4.32Å; L319-F322 HydrophobicContact CG-CE2 4.42Å; L319-C341 HydrophobicContact CB-CB 4.25Å; L319-A342 CarbonylContact O-C 3.23Å; L319-A342 VanDerWaalsContact O-C 3.27Å; L319-A342 WeakPolarHBondContact O-CA 3.45Å; L319-A342 PolarHBondContact O-N 3.28Å; L319-L343 HydrophobicContact CG-CD2 4.22Å; L319-L343 PolarHBondContact O-N 2.78Å
320	Q	86.5	Confident	92.2	Very high	30 Å²	30	35.1 Å²	35.1	14%	0.14	17%	0.171	C	C	.	.			trans	-116.1	-30.3	-168	-87.2	-179.3	20.5	0	0	113.2	T295 F318 A342 L343 K432	T295-Q320 PolarHBondContact O-N 2.94Å; F318-Q320 WeakPolarHBondContact O-CG 3.06Å; F318-Q320 PolarHBondContact O-N 3.22Å; Q320-A342 HydrophobicContact CG-CB 4.3Å; Q320-L343 VanDerWaalsContact C-CD2 3.49Å; Q320-L343 WeakPolarHBondContact O-CD2 3.47Å; Q320-K432 VanDerWaalsContact CG-CE 3.47Å; Q320-K432 PolarHBondContact O-NZ 3.21Å; Q320-K432 VanDerWaalsContact O-NZ 3.07Å
321	N	86.8	Confident	92	Very high	20 Å²	20	35.2 Å²	35.2	11%	0.107	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	149.2	-171.4	-64.6	-32.2	0	0	0	112	Y296 V297 K432 P482 G483	Y296-N321 WeakPolarHBondContact CA-O 3.46Å; V297-N321 PolarHBondContact N-O 2.86Å; V297-N321 VanDerWaalsContact N-O 3.08Å; N321-K432 PolarHBondContact OD1-NZ 3.05Å; N321-P482 PolarHBondContact ND2-O 2.95Å; N321-G483 VanDerWaalsContact ND2-C 3.32Å; N321-G483 VanDerWaalsContact ND2-CA 3.34Å; N321-G483 WeakPolarHBondContact ND2-CA 3.47Å; N321-G483 PolarHBondContact ND2-O 2.79Å
322	F	90.8	Very high	91.9	Very high	7 Å²	7	36.3 Å²	36.3	3%	0.031	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	145.1	164.4	-87.3	-104.5	0	0	0	109.9	V297 L299 V313 L319 L336 V338 L343 F346 P347 F350	V297-F322 HydrophobicContact CB-CD1 3.69Å; V297-F322 HydrophobicContact CB-CE1 3.61Å; V297-F322 HydrophobicContact CB-CE2 4.46Å; V297-F322 HydrophobicContact CB-CG 4.2Å; V297-F322 HydrophobicContact CB-CZ 4.03Å; V297-F322 HydrophobicContact CG1-CD1 3.74Å; V297-F322 HydrophobicContact CG1-CE1 3.5Å; V297-F322 HydrophobicContact CG1-CZ 4.28Å; V297-F322 HydrophobicContact CG2-CE1 4.13Å; V297-F322 HydrophobicContact CG2-CZ 4.1Å; V297-F322 WeakPolarHBondContact O-CA 3.36Å; L299-F322 HydrophobicContact CD2-CD1 4.34Å; L299-F322 HydrophobicContact CD2-CE1 4.49Å; V313-F322 HydrophobicContact CG2-CE2 4.4Å; V313-F322 HydrophobicContact CG2-CZ 3.78Å; L319-F322 HydrophobicContact CD2-CE2 3.86Å; L319-F322 HydrophobicContact CD2-CZ 4.32Å; L319-F322 HydrophobicContact CG-CE2 4.42Å; F322-L336 HydrophobicContact CZ-CD1 4.5Å; F322-V338 HydrophobicContact CE2-CG1 3.83Å; F322-V338 HydrophobicContact CZ-CG1 3.73Å; F322-L343 HydrophobicContact CD2-CD1 4.28Å; F322-L343 HydrophobicContact CD2-CD2 4.09Å; F322-L343 HydrophobicContact CE2-CD1 3.97Å; F322-L343 HydrophobicContact CE2-CD2 4.34Å; F322-F346 HydrophobicContact CB-CD1 4.08Å; F322-F346 HydrophobicContact CB-CE1 4.33Å; F322-F346 HydrophobicContact CD1-CE1 4.46Å; F322-F346 HydrophobicContact CD2-CD1 4.13Å; F322-F346 AromaticContact CD2-CE1 3.6Å; F322-F346 HydrophobicContact CD2-CE1 3.6Å; F322-F346 AromaticContact CE2-CE1 3.9Å; F322-F346 HydrophobicContact CE2-CE1 3.9Å; F322-F346 HydrophobicContact CG-CD1 4.16Å; F322-F346 AromaticContact CG-CE1 3.9Å; F322-F346 HydrophobicContact CG-CE1 3.9Å; F322-F346 HydrophobicContact CZ-CE1 4.42Å; F322-P347 WeakPolarHBondContact O-CG 3.45Å; F322-F350 HydrophobicContact CB-CD2 4.29Å; F322-F350 HydrophobicContact CB-CE2 3.63Å; F322-F350 HydrophobicContact CB-CZ 3.93Å; F322-F350 HydrophobicContact CD1-CE1 4.48Å; F322-F350 AromaticContact CD1-CE2 3.88Å; F322-F350 HydrophobicContact CD1-CE2 3.88Å; F322-F350 AromaticContact CD1-CZ 3.48Å; F322-F350 HydrophobicContact CD1-CZ 3.48Å; F322-F350 VanDerWaalsContact CD1-CZ 3.48Å; F322-F350 HydrophobicContact CE1-CZ 4.18Å; F322-F350 HydrophobicContact CG-CE2 4.13Å; F322-F350 AromaticContact CG-CZ 3.93Å; F322-F350 HydrophobicContact CG-CZ 3.93Å
323	V	86	Confident	91.8	Very high	13 Å²	13	35.2 Å²	35.2	8%	0.079	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	131.7	178	179	0	0	0	0	110.1	V297 L299 W462 P482	V297-V323 PolarHBondContact O-N 2.97Å; L299-V323 PolarHBondContact N-O 2.9Å; V323-W462 HydrophobicContact CG1-CH2 3.83Å; V323-W462 HydrophobicContact CG1-CZ2 4.46Å; V323-W462 HydrophobicContact CG2-CH2 4.08Å; V323-W462 HydrophobicContact CG2-CZ2 4.32Å; V323-P482 HydrophobicContact CB-CB 4.3Å; V323-P482 HydrophobicContact CG2-CB 3.5Å
324	G	87.4	Confident	91.8	Very high	10 Å²	10	36.7 Å²	36.7	10%	0.103	19%	0.185	C	C	.	.	S	Bend	trans	120.7	-170.5	-176.6	0	0	0	0	0	111.7	D329 F350	G324-D329 VanDerWaalsContact CA-OD2 3.24Å; G324-D329 WeakPolarHBondContact CA-OD2 3.43Å; G324-F350 WeakPolarHBondContact O-CD2 3.28Å
325	N	90	Very high	91.9	Very high	21 Å²	21	39.1 Å²	39.1	11%	0.112	20%	0.196	C	C	.	.			trans	-133.5	134.9	172.6	160.3	-80.2	0	0	0	107.8	Q327 K328 D329 D349	N325-Q327 PolarHBondContact O-N 3.21Å; N325-Q327 WeakPolarHBondContact OD1-CA 3.47Å; N325-Q327 WeakPolarHBondContact OD1-CB 3.45Å; N325-Q327 PolarHBondContact OD1-N 2.92Å; N325-K328 HydrophobicContact CB-CB 4.18Å; N325-K328 PolarHBondContact O-N 2.83Å; N325-K328 WeakPolarHBondContact OD1-CB 3.29Å; N325-K328 PolarHBondContact OD1-N 3.26Å; N325-D329 PolarHBondContact N-OD2 3.09Å; N325-D329 WeakPolarHBondContact O-CB 3.44Å; N325-D329 PolarHBondContact O-N 2.96Å; N325-D349 PolarHBondContact ND2-O 2.78Å
326	V	93.5	Very high	91.9	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.006	17%	0.172	C	C	.	.	H	α-helix	trans	-59.6	-47.4	-174.8	176.1	0	0	0	0	110.7	L299 K328 V330 L333 F350 F351 V356	L299-V326 HydrophobicContact CD1-CG2 3.96Å; V326-K328 VanDerWaalsContact C-N 3.35Å; V326-K328 PolarHBondContact O-N 2.81Å; V326-V330 CarbonylContact O-C 3.48Å; V326-V330 WeakPolarHBondContact O-CA 3.23Å; V326-V330 PolarHBondContact O-N 3.35Å; V326-V330 VanDerWaalsContact O-O 3.07Å; V326-L333 HydrophobicContact CG1-CB 4.01Å; V326-L333 HydrophobicContact CG1-CD2 4.12Å; V326-F350 HydrophobicContact CG2-CD1 3.96Å; V326-F350 HydrophobicContact CG2-CE1 3.59Å; V326-F350 HydrophobicContact CG2-CE2 4.41Å; V326-F350 HydrophobicContact CG2-CZ 3.84Å; V326-F350 WeakPolarHBondContact CG2-O 3.49Å; V326-F350 PolarHBondContact N-O 3.32Å; V326-F351 HydrophobicContact CG2-CD1 3.99Å; V326-F351 HydrophobicContact CG2-CE1 4.2Å; V326-V356 HydrophobicContact CG1-CG2 4.04Å
327	Q	93.6	Very high	92	Very high	81 Å²	81	34.2 Å²	34.2	38%	0.379	18%	0.179	S	C	.	.	H	α-helix	trans	-64.7	-36	-178.3	179.7	57	15.4	0	0	113.6	N325 P331 A352 N353	N325-Q327 PolarHBondContact O-N 3.21Å; N325-Q327 WeakPolarHBondContact OD1-CA 3.47Å; N325-Q327 WeakPolarHBondContact OD1-CB 3.45Å; N325-Q327 PolarHBondContact OD1-N 2.92Å; Q327-P331 WeakPolarHBondContact O-CB 3.35Å; Q327-A352 WeakPolarHBondContact CB-O 3.5Å; Q327-N353 HydrophobicContact CB-CB 4.47Å; Q327-N353 HydrophobicContact CG-CB 4.09Å; Q327-N353 WeakPolarHBondContact CG-O 3.48Å; Q327-N353 PolarHBondContact OE1-O 3.32Å
328	K	89.9	Confident	92.2	Very high	156 Å²	156	30.6 Å²	30.6	68%	0.678	15%	0.153	S	C	*	.	H	α-helix	trans	-78	-40.7	-178.6	-175.8	179.1	179.1	179.5	0	112.1	N325 V326	N325-K328 HydrophobicContact CB-CB 4.18Å; N325-K328 PolarHBondContact O-N 2.83Å; N325-K328 WeakPolarHBondContact OD1-CB 3.29Å; N325-K328 PolarHBondContact OD1-N 3.26Å; V326-K328 VanDerWaalsContact C-N 3.35Å; V326-K328 PolarHBondContact O-N 2.81Å
329	D	92.1	Very high	92.5	Very high	8 Å²	8	26.5 Å²	26.5	4%	0.043	14%	0.137	C	C	.	.	H	α-helix	trans	-100.6	-36.2	-169.7	-61.5	-52.2	0	0	0	112.9	L299 R303 G324 N325	L299-D329 HydrophobicContact CB-CB 3.67Å; R303-D329 WeakPolarHBondContact CA-O 3.26Å; R303-D329 HydrophobicContact CG-CB 4.28Å; R303-D329 IonicContact CZ-OD1 3.3Å; R303-D329 IonicContact NE-OD1 2.73Å; R303-D329 PolarHBondContact NE-OD1 2.89Å; R303-D329 IonicContact NH2-OD1 3.89Å; R303-D329 PolarHBondContact NH2-OD1 2.79Å; G324-D329 VanDerWaalsContact CA-OD2 3.24Å; G324-D329 WeakPolarHBondContact CA-OD2 3.43Å; N325-D329 PolarHBondContact N-OD2 3.09Å; N325-D329 WeakPolarHBondContact O-CB 3.44Å; N325-D329 PolarHBondContact O-N 2.96Å
330	V	94.1	Very high	92.6	Very high	2 Å²	2	32.5 Å²	32.5	1%	0.012	16%	0.16	C	C	.	.			trans	-143.5	67.7	-178.2	-164.6	0	0	0	0	111	L299 F302 L308 V326 S332 L333	L299-V330 HydrophobicContact CB-CG2 4.49Å; F302-V330 HydrophobicContact CB-CG2 3.54Å; F302-V330 HydrophobicContact CD2-CG2 4.27Å; F302-V330 HydrophobicContact CG-CG2 4.43Å; L308-V330 HydrophobicContact CB-CG1 4.09Å; L308-V330 HydrophobicContact CD2-CG1 4.07Å; L308-V330 HydrophobicContact CG-CG1 4.47Å; V326-V330 CarbonylContact O-C 3.48Å; V326-V330 WeakPolarHBondContact O-CA 3.23Å; V326-V330 PolarHBondContact O-N 3.35Å; V326-V330 VanDerWaalsContact O-O 3.07Å; V330-S332 PolarHBondContact O-N 2.67Å; V330-S332 VanDerWaalsContact O-N 3.08Å; V330-L333 HydrophobicContact CB-CB 4.48Å; V330-L333 HydrophobicContact CG1-CB 4.05Å; V330-L333 WeakPolarHBondContact O-CB 3.3Å; V330-L333 PolarHBondContact O-N 2.77Å
331	P	94.2	Very high	93	Very high	61 Å²	61	31.7 Å²	31.7	40%	0.396	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-17.1	-174.1	24.3	-34.2	0	0	0	114.2	Q327 L333 S355	Q327-P331 WeakPolarHBondContact O-CB 3.35Å; P331-L333 VanDerWaalsContact C-N 3.32Å; P331-S355 PolarHBondContact O-OG 2.75Å; P331-S355 VanDerWaalsContact O-OG 3.1Å
332	S	95	Very high	93.1	Very high	25 Å²	25	32.4 Å²	32.4	18%	0.175	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-5.7	-179.9	56.9	0	0	0	0	114.4	P306 L308 V330 E334	P306-S332 WeakPolarHBondContact O-CB 3.45Å; P306-S332 PolarHBondContact O-OG 3.05Å; L308-S332 PolarHBondContact N-OG 3.49Å; L308-S332 VanDerWaalsContact N-OG 3.13Å; L308-S332 CarbonylContact O-C 3.47Å; L308-S332 WeakPolarHBondContact O-CB 3.38Å; L308-S332 VanDerWaalsContact O-O 3.1Å; L308-S332 PolarHBondContact O-OG 2.91Å; V330-S332 PolarHBondContact O-N 2.67Å; V330-S332 VanDerWaalsContact O-N 3.08Å; S332-E334 PolarHBondContact O-N 3.24Å
333	L	96.5	Very high	93	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.005	16%	0.164	C	C	.	.			trans	-69.9	119.4	-171	-167.4	70.4	0	0	0	111.2	L308 L311 V326 V330 P331 L336 S355	L308-L333 HydrophobicContact CG-CD1 4.5Å; L308-L333 WeakPolarHBondContact O-CA 3.46Å; L308-L333 PolarHBondContact O-N 2.99Å; L311-L333 HydrophobicContact CB-CD1 3.71Å; V326-L333 HydrophobicContact CG1-CB 4.01Å; V326-L333 HydrophobicContact CG1-CD2 4.12Å; V330-L333 HydrophobicContact CB-CB 4.48Å; V330-L333 HydrophobicContact CG1-CB 4.05Å; V330-L333 WeakPolarHBondContact O-CB 3.3Å; V330-L333 PolarHBondContact O-N 2.77Å; P331-L333 VanDerWaalsContact C-N 3.32Å; L333-L336 HydrophobicContact CD2-CB 4.28Å; L333-S355 CarbonylContact O-C 3.4Å
334	E	96.4	Very high	92.9	Very high	31 Å²	31	33.3 Å²	33.3	15%	0.145	17%	0.17	C	C	.	.			trans	-107.2	-33.5	179.3	-63.4	-175.8	-144.6	0	0	111.5	K309 S332 K357 T358	K309-E334 IonicContact NZ-OE1 2.91Å; K309-E334 PolarHBondContact NZ-OE1 2.9Å; K309-E334 PolarHBondContact O-N 3.46Å; S332-E334 PolarHBondContact O-N 3.24Å; E334-K357 HydrophobicContact CB-CD 4.33Å; E334-K357 HydrophobicContact CB-CG 4.44Å; E334-K357 HydrophobicContact CG-CD 4.43Å; E334-K357 WeakPolarHBondContact O-CA 3.45Å; E334-K357 PolarHBondContact O-N 3.07Å; E334-K357 WeakPolarHBondContact OE2-CE 3.1Å; E334-K357 IonicContact OE2-NZ 3.02Å; E334-K357 PolarHBondContact OE2-NZ 2.94Å; E334-T358 PolarHBondContact O-N 2.81Å
335	H	97.5	Very high	92.8	Very high	55 Å²	55	33.5 Å²	33.5	26%	0.255	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	118.2	-171.5	-56.3	-55.8	0	0	0	110.2	K309 E310 L311 T358 W360	K309-H335 PolarHBondContact O-N 3.43Å; E310-H335 WeakPolarHBondContact CA-O 3.26Å; E310-H335 HydrophobicContact CB-CB 4.17Å; E310-H335 HydrophobicContact CG-CB 4Å; L311-H335 PolarHBondContact N-O 3.1Å; H335-T358 PolarHBondContact ND1-OG1 3.44Å; H335-W360 HydrophobicContact CB-CZ3 4.24Å
336	L	97	Very high	92.7	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	120.1	177.5	176.3	59.1	0	0	0	110.2	L311 F322 L333 V338 F350 F351 T358 L359 W360	L311-L336 HydrophobicContact CB-CD1 4.11Å; L311-L336 HydrophobicContact CD2-CD1 3.98Å; L311-L336 HydrophobicContact CG-CD1 4.06Å; L311-L336 WeakPolarHBondContact O-CA 3.41Å; F322-L336 HydrophobicContact CZ-CD1 4.5Å; L333-L336 HydrophobicContact CD2-CB 4.28Å; L336-V338 HydrophobicContact CD1-CG1 3.96Å; L336-V338 HydrophobicContact CD2-CG1 4.31Å; L336-V338 HydrophobicContact CG-CG1 3.97Å; L336-F350 HydrophobicContact CD2-CE1 4.22Å; L336-F351 HydrophobicContact CD2-CE1 3.97Å; L336-F351 HydrophobicContact CD2-CZ 4.09Å; L336-T358 PolarHBondContact N-O 3.13Å; L336-L359 HydrophobicContact CB-CD1 3.74Å; L336-L359 HydrophobicContact CD2-CD1 3.68Å; L336-L359 HydrophobicContact CG-CD1 3.68Å; L336-L359 WeakPolarHBondContact O-CA 3.43Å; L336-W360 PolarHBondContact O-N 3.38Å
337	N	96.5	Very high	92.3	Very high	28 Å²	28	34.9 Å²	34.9	15%	0.15	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	114.9	175.8	-174.1	2.4	0	0	0	110.8	L311 D312 V313 S314 A339 W360	L311-N337 PolarHBondContact O-N 3.41Å; D312-N337 HydrophobicContact CB-CB 4.26Å; D312-N337 PolarHBondContact OD1-ND2 3.29Å; D312-N337 PolarHBondContact OD2-ND2 2.88Å; V313-N337 CarbonylContact C-O 3.26Å; V313-N337 WeakPolarHBondContact CG2-O 3.45Å; V313-N337 PolarHBondContact N-O 3.45Å; S314-N337 PolarHBondContact N-O 2.88Å; N337-A339 WeakPolarHBondContact OD1-CB 3.36Å; N337-A339 PolarHBondContact OD1-N 3.09Å; N337-A339 VanDerWaalsContact OD1-N 3.14Å; N337-W360 HydrophobicContact CB-CB 4.29Å; N337-W360 HydrophobicContact CB-CD2 4.34Å; N337-W360 HydrophobicContact CB-CE3 3.89Å; N337-W360 VanDerWaalsContact OD1-CB 3.25Å; N337-W360 WeakPolarHBondContact OD1-CB 3.49Å
338	V	94.8	Very high	91.7	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.177	C	C	.	.			trans	-122.4	20	178	-62.5	0	0	0	0	112.2	V313 F322 L336 C341 L343 F346 L359 W360 L361 N364 W366	V313-V338 HydrophobicContact CG2-CG1 3.8Å; F322-V338 HydrophobicContact CE2-CG1 3.83Å; F322-V338 HydrophobicContact CZ-CG1 3.73Å; L336-V338 HydrophobicContact CD1-CG1 3.96Å; L336-V338 HydrophobicContact CD2-CG1 4.31Å; L336-V338 HydrophobicContact CG-CG1 3.97Å; V338-C341 PolarHBondContact O-SG 2.89Å; V338-C341 VanDerWaalsContact O-SG 3.39Å; V338-L343 HydrophobicContact CB-CD1 3.74Å; V338-L343 HydrophobicContact CG1-CD1 4.13Å; V338-L343 HydrophobicContact CG2-CD1 4Å; V338-F346 HydrophobicContact CG1-CZ 4.11Å; V338-F346 HydrophobicContact CG2-CE2 4.47Å; V338-F346 HydrophobicContact CG2-CZ 3.96Å; V338-L359 HydrophobicContact CG2-CD1 4.49Å; V338-W360 CarbonylContact C-O 3.56Å; V338-W360 WeakPolarHBondContact CG2-O 3.2Å; V338-W360 PolarHBondContact N-O 3.42Å; V338-W360 VanDerWaalsContact N-O 3.08Å; V338-L361 HydrophobicContact CG2-CD2 3.87Å; V338-N364 PolarHBondContact O-ND2 2.78Å; V338-W366 HydrophobicContact CG2-CZ2 4.3Å
339	A	93.6	Very high	91.4	Very high	7 Å²	7	29.9 Å²	29.9	6%	0.058	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	148.3	-176.9	0	0	0	0	0	112.4	S314 Y315 N337 C341 W360 D362	S314-A339 CarbonylContact C-O 3.22Å; S314-A339 WeakPolarHBondContact CA-O 3.36Å; S314-A339 WeakPolarHBondContact CB-O 3.11Å; Y315-A339 PolarHBondContact N-O 3.43Å; N337-A339 WeakPolarHBondContact OD1-CB 3.36Å; N337-A339 PolarHBondContact OD1-N 3.09Å; N337-A339 VanDerWaalsContact OD1-N 3.14Å; A339-C341 VanDerWaalsContact C-N 3.29Å; A339-C341 PolarHBondContact O-N 3.29Å; A339-C341 PolarHBondContact O-SG 3.43Å; A339-W360 HydrophobicContact CB-CB 4.44Å; A339-W360 PolarHBondContact N-O 3.26Å; A339-D362 CarbonylContact C-O 3.52Å; A339-D362 VanDerWaalsContact CA-O 3.23Å; A339-D362 WeakPolarHBondContact CA-O 3.44Å; A339-D362 HydrophobicContact CB-CB 3.94Å
340	W	93.7	Very high	91.2	Very high	126 Å²	126	29.5 Å²	29.5	48%	0.477	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.1	38.3	174.2	-58.1	101	0	0	0	114.4	Y315 D362	Y315-W340 WeakPolarHBondContact CA-O 3.43Å; Y315-W340 HydrophobicContact CD1-CB 3.63Å; Y315-W340 HydrophobicContact CD1-CG 4.01Å; Y315-W340 HydrophobicContact CE1-CB 3.82Å; Y315-W340 AromaticContact CE1-CD1 3.5Å; Y315-W340 VanDerWaalsContact CE1-CD1 3.5Å; Y315-W340 HydrophobicContact CE1-CD2 4.41Å; Y315-W340 AromaticContact CE1-CG 3.64Å; Y315-W340 HydrophobicContact CE1-CG 3.64Å; Y315-W340 HydrophobicContact CG-CB 4.15Å; Y315-W340 AromaticContact CZ-CD1 3.47Å; Y315-W340 VanDerWaalsContact CZ-CD1 3.47Å; W340-D362 PolarHBondContact N-O 3.21Å
341	C	93.1	Very high	91.1	Very high	12 Å²	12	29.4 Å²	29.4	8%	0.081	16%	0.16	C	C	.	.	S	Bend	trans	-100.9	-164.4	172.1	-61.1	0	0	0	0	110.6	V313 C316 L319 V338 A339 L343 N364	V313-C341 PolarHBondContact O-SG 3.33Å; C316-C341 WeakPolarHBondContact O-CA 3.12Å; C316-C341 WeakPolarHBondContact O-CB 3.29Å; L319-C341 HydrophobicContact CB-CB 4.25Å; V338-C341 PolarHBondContact O-SG 2.89Å; V338-C341 VanDerWaalsContact O-SG 3.39Å; A339-C341 VanDerWaalsContact C-N 3.29Å; A339-C341 PolarHBondContact O-N 3.29Å; A339-C341 PolarHBondContact O-SG 3.43Å; C341-L343 HydrophobicContact CB-CG 4.2Å; C341-N364 WeakPolarHBondContact CA-OD1 3.31Å; C341-N364 VanDerWaalsContact CB-OD1 3.26Å; C341-N364 WeakPolarHBondContact CB-OD1 3.46Å; C341-N364 PolarHBondContact N-OD1 2.93Å; C341-N364 PolarHBondContact O-OD1 2.95Å
342	A	89	Confident	90.9	Very high	36 Å²	36	28.1 Å²	28.1	30%	0.298	15%	0.154	S	C	.	.			trans	-114.2	32.4	175.1	0	0	0	0	0	111.7	S317 L319 Q320	S317-A342 WeakPolarHBondContact O-CB 3.28Å; L319-A342 CarbonylContact O-C 3.23Å; L319-A342 VanDerWaalsContact O-C 3.27Å; L319-A342 WeakPolarHBondContact O-CA 3.45Å; L319-A342 PolarHBondContact O-N 3.28Å; Q320-A342 HydrophobicContact CG-CB 4.3Å
343	L	88.7	Confident	90.6	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.183	C	C	.	.			trans	-74.1	138.5	178.3	-60.7	175.6	0	0	0	110.4	L319 Q320 F322 V338 C341 F346 N364 N365 W366	L319-L343 HydrophobicContact CG-CD2 4.22Å; L319-L343 PolarHBondContact O-N 2.78Å; Q320-L343 VanDerWaalsContact C-CD2 3.49Å; Q320-L343 WeakPolarHBondContact O-CD2 3.47Å; F322-L343 HydrophobicContact CD2-CD1 4.28Å; F322-L343 HydrophobicContact CD2-CD2 4.09Å; F322-L343 HydrophobicContact CE2-CD1 3.97Å; F322-L343 HydrophobicContact CE2-CD2 4.34Å; V338-L343 HydrophobicContact CB-CD1 3.74Å; V338-L343 HydrophobicContact CG1-CD1 4.13Å; V338-L343 HydrophobicContact CG2-CD1 4Å; C341-L343 HydrophobicContact CB-CG 4.2Å; L343-F346 HydrophobicContact CD1-CE1 4.34Å; L343-F346 HydrophobicContact CD1-CZ 4.05Å; L343-N364 HydrophobicContact CB-CB 4.44Å; L343-N364 WeakPolarHBondContact CB-OD1 3.18Å; L343-N364 PolarHBondContact N-OD1 3.01Å; L343-N365 CarbonylContact O-C 3.41Å; L343-N365 PolarHBondContact O-N 3.36Å; L343-W366 HydrophobicContact CB-CH2 3.62Å; L343-W366 HydrophobicContact CB-CZ2 4.23Å; L343-W366 HydrophobicContact CB-CZ3 3.89Å; L343-W366 HydrophobicContact CD1-CH2 3.79Å; L343-W366 HydrophobicContact CD1-CZ2 4.41Å; L343-W366 HydrophobicContact CG-CH2 4.37Å
344	D	85	Confident	90.5	Very high	38 Å²	38	34.4 Å²	34.4	20%	0.203	19%	0.186	C	C	.	.			trans	-109.8	-29.3	170.8	46.9	3.8	0	0	0	111.7	N365 Q367 K432	D344-N365 WeakPolarHBondContact CA-O 3.41Å; D344-Q367 HydrophobicContact CB-CG 3.91Å; D344-Q367 PolarHBondContact O-N 3.48Å; D344-K432 VanDerWaalsContact CG-NZ 3.34Å; D344-K432 IonicContact OD1-NZ 3.88Å; D344-K432 PolarHBondContact OD1-NZ 2.99Å; D344-K432 IonicContact OD2-NZ 2.76Å; D344-K432 PolarHBondContact OD2-NZ 3.5Å
345	A	85.2	Confident	90.1	Very high	15 Å²	15	35.4 Å²	35.4	12%	0.124	20%	0.197	C	C	.	.			trans	-163.4	163.6	175.1	0	0	0	0	0	114	R371	A345-R371 HydrophobicContact CB-CB 3.68Å; A345-R371 HydrophobicContact CB-CG 4.47Å; A345-R371 WeakPolarHBondContact CB-O 3.4Å
346	F	88.4	Confident	89.9	Confident	10 Å²	10	32.8 Å²	32.8	4%	0.044	19%	0.185	C	C	.	.			trans	-97.4	160.4	160.7	-68.8	-80	0	0	0	110.6	F322 V338 L343 F350 F351 L361 W366 W374	F322-F346 HydrophobicContact CB-CD1 4.08Å; F322-F346 HydrophobicContact CB-CE1 4.33Å; F322-F346 HydrophobicContact CD1-CE1 4.46Å; F322-F346 HydrophobicContact CD2-CD1 4.13Å; F322-F346 AromaticContact CD2-CE1 3.6Å; F322-F346 HydrophobicContact CD2-CE1 3.6Å; F322-F346 AromaticContact CE2-CE1 3.9Å; F322-F346 HydrophobicContact CE2-CE1 3.9Å; F322-F346 HydrophobicContact CG-CD1 4.16Å; F322-F346 AromaticContact CG-CE1 3.9Å; F322-F346 HydrophobicContact CG-CE1 3.9Å; F322-F346 HydrophobicContact CZ-CE1 4.42Å; V338-F346 HydrophobicContact CG1-CZ 4.11Å; V338-F346 HydrophobicContact CG2-CE2 4.47Å; V338-F346 HydrophobicContact CG2-CZ 3.96Å; L343-F346 HydrophobicContact CD1-CE1 4.34Å; L343-F346 HydrophobicContact CD1-CZ 4.05Å; F346-F350 HydrophobicContact CB-CB 4.02Å; F346-F350 HydrophobicContact CB-CD1 4.19Å; F346-F350 HydrophobicContact CB-CG 4.17Å; F346-F350 AromaticContact CD1-CD1 3.6Å; F346-F350 HydrophobicContact CD1-CD1 3.6Å; F346-F350 AromaticContact CD1-CE1 3.62Å; F346-F350 HydrophobicContact CD1-CE1 3.62Å; F346-F350 HydrophobicContact CD1-CG 4.07Å; F346-F350 HydrophobicContact CD1-CZ 4.1Å; F346-F350 HydrophobicContact CE1-CD1 4.19Å; F346-F350 AromaticContact CE1-CE1 3.76Å; F346-F350 HydrophobicContact CE1-CE1 3.76Å; F346-F350 HydrophobicContact CE1-CZ 4.22Å; F346-F350 HydrophobicContact CG-CD1 4.03Å; F346-F350 HydrophobicContact CG-CE1 4.44Å; F346-F350 HydrophobicContact CG-CG 4.44Å; F346-F351 HydrophobicContact CB-CE2 4.41Å; F346-F351 HydrophobicContact CD1-CE2 4.43Å; F346-F351 HydrophobicContact CD1-CZ 4.46Å; F346-F351 AromaticContact CD2-CE2 3.75Å; F346-F351 HydrophobicContact CD2-CE2 3.75Å; F346-F351 HydrophobicContact CD2-CZ 4.21Å; F346-F351 HydrophobicContact CE1-CZ 4.33Å; F346-F351 HydrophobicContact CE2-CE2 4.03Å; F346-F351 HydrophobicContact CE2-CZ 4.06Å; F346-F351 AromaticContact CG-CE2 3.96Å; F346-F351 HydrophobicContact CG-CE2 3.96Å; F346-F351 HydrophobicContact CG-CZ 4.39Å; F346-F351 HydrophobicContact CZ-CE2 4.48Å; F346-F351 HydrophobicContact CZ-CZ 4.12Å; F346-L361 HydrophobicContact CE2-CD2 4.19Å; F346-W366 AromaticContact CD2-CH2 3.87Å; F346-W366 HydrophobicContact CD2-CH2 3.87Å; F346-W366 AromaticContact CD2-CZ3 3.91Å; F346-W366 HydrophobicContact CD2-CZ3 3.91Å; F346-W366 AromaticContact CE2-CH2 3.38Å; F346-W366 HydrophobicContact CE2-CH2 3.38Å; F346-W366 HydrophobicContact CE2-CZ2 4.28Å; F346-W366 AromaticContact CE2-CZ3 3.92Å; F346-W366 HydrophobicContact CE2-CZ3 3.92Å; F346-W366 HydrophobicContact CZ-CH2 4.06Å; F346-W374 HydrophobicContact CB-CB 4.1Å; F346-W374 HydrophobicContact CB-CD2 3.96Å; F346-W374 HydrophobicContact CB-CE3 4.49Å; F346-W374 HydrophobicContact CB-CG 3.74Å; F346-W374 AromaticContact CD2-CD2 3.83Å; F346-W374 HydrophobicContact CD2-CD2 3.83Å; F346-W374 AromaticContact CD2-CE2 3.8Å; F346-W374 AromaticContact CD2-CE3 3.9Å; F346-W374 HydrophobicContact CD2-CE3 3.9Å; F346-W374 HydrophobicContact CD2-CG 4.5Å; F346-W374 AromaticContact CD2-CH2 3.96Å; F346-W374 HydrophobicContact CD2-CH2 3.96Å; F346-W374 AromaticContact CD2-CZ2 3.89Å; F346-W374 HydrophobicContact CD2-CZ2 3.89Å; F346-W374 AromaticContact CD2-CZ3 3.96Å; F346-W374 HydrophobicContact CD2-CZ3 3.96Å; F346-W374 HydrophobicContact CE2-CH2 4.23Å; F346-W374 HydrophobicContact CE2-CZ2 4.43Å; F346-W374 HydrophobicContact CE2-CZ3 4.36Å; F346-W374 HydrophobicContact CG-CD2 4.39Å; F346-W374 VanDerWaalsContact N-CD1 3.34Å; F346-W374 VanDerWaalsContact O-CD1 3.25Å
347	P	85.1	Confident	89.8	Confident	41 Å²	41	37.1 Å²	37.1	27%	0.266	20%	0.204	S	C	.	.			trans	-53.4	144.5	163.6	-21.9	31.5	0	0	0	111.4	F322 D349 F350 W374	F322-P347 WeakPolarHBondContact O-CG 3.45Å; P347-D349 VanDerWaalsContact C-N 3.31Å; P347-D349 PolarHBondContact O-N 2.93Å; P347-F350 HydrophobicContact CB-CB 4.09Å; P347-F350 HydrophobicContact CG-CB 4.34Å; P347-F350 HydrophobicContact CG-CD2 4.17Å; P347-F350 WeakPolarHBondContact O-CB 3.45Å; P347-F350 PolarHBondContact O-N 3.31Å; P347-W374 VanDerWaalsContact O-CB 3.26Å; P347-W374 WeakPolarHBondContact O-CB 3.13Å
348	M	79.9	Confident	89.7	Confident	61 Å²	61	36.7 Å²	36.7	30%	0.3	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-45.3	-176.8	-92.8	-70.8	-83.3	0	0	114.1	F350 L373 W374 S377 Y438	M348-F350 VanDerWaalsContact C-N 3.27Å; M348-F350 PolarHBondContact O-N 3.33Å; M348-L373 HydrophobicContact CE-CB 3.65Å; M348-L373 HydrophobicContact CE-CD1 4.12Å; M348-L373 HydrophobicContact SD-CB 3.06Å; M348-L373 WeakPolarHBondContact SD-CB 3.5Å; M348-L373 HydrophobicContact SD-CD1 4.26Å; M348-L373 HydrophobicContact SD-CG 4.29Å; M348-W374 WeakPolarHBondContact O-CA 3.25Å; M348-W374 PolarHBondContact SD-N 2.98Å; M348-W374 VanDerWaalsContact SD-N 3.44Å; M348-S377 PolarHBondContact O-OG 3Å; M348-Y438 HydrophobicContact CE-CE2 4.27Å; M348-Y438 HydrophobicContact CG-CD2 4.47Å; M348-Y438 HydrophobicContact CG-CE2 4.11Å
349	D	82.9	Confident	89.6	Confident	70 Å²	70	36.7 Å²	36.7	37%	0.374	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	6.5	-178.9	62.8	-29.4	0	0	0	112.1	N325 P347 F351 A352 K467	N325-D349 PolarHBondContact ND2-O 2.78Å; P347-D349 VanDerWaalsContact C-N 3.31Å; P347-D349 PolarHBondContact O-N 2.93Å; D349-F351 VanDerWaalsContact C-N 3.32Å; D349-F351 PolarHBondContact O-N 3.2Å; D349-A352 HydrophobicContact CB-CB 4.43Å; D349-A352 WeakPolarHBondContact O-CB 3.49Å; D349-A352 PolarHBondContact O-N 3.29Å; D349-A352 VanDerWaalsContact O-N 3.14Å; D349-K467 IonicContact OD1-NZ 3.89Å; D349-K467 IonicContact OD2-NZ 3.84Å; D349-K467 PolarHBondContact OD2-NZ 3.02Å
350	F	89.7	Confident	89.5	Confident	1 Å²	1	39.5 Å²	39.5	0%	0.004	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-41.7	-168.1	-175	-102.9	0	0	0	113.2	L299 F322 G324 V326 L336 F346 P347 M348	L299-F350 HydrophobicContact CD1-CD2 4.34Å; L299-F350 HydrophobicContact CD1-CE2 3.41Å; L299-F350 VanDerWaalsContact CD1-CE2 3.41Å; L299-F350 HydrophobicContact CD1-CZ 3.65Å; L299-F350 HydrophobicContact CD2-CZ 4.48Å; L299-F350 HydrophobicContact CG-CE2 4.04Å; L299-F350 HydrophobicContact CG-CZ 4.28Å; F322-F350 HydrophobicContact CB-CD2 4.29Å; F322-F350 HydrophobicContact CB-CE2 3.63Å; F322-F350 HydrophobicContact CB-CZ 3.93Å; F322-F350 HydrophobicContact CD1-CE1 4.48Å; F322-F350 AromaticContact CD1-CE2 3.88Å; F322-F350 HydrophobicContact CD1-CE2 3.88Å; F322-F350 AromaticContact CD1-CZ 3.48Å; F322-F350 HydrophobicContact CD1-CZ 3.48Å; F322-F350 VanDerWaalsContact CD1-CZ 3.48Å; F322-F350 HydrophobicContact CE1-CZ 4.18Å; F322-F350 HydrophobicContact CG-CE2 4.13Å; F322-F350 AromaticContact CG-CZ 3.93Å; F322-F350 HydrophobicContact CG-CZ 3.93Å; G324-F350 WeakPolarHBondContact O-CD2 3.28Å; V326-F350 HydrophobicContact CG2-CD1 3.96Å; V326-F350 HydrophobicContact CG2-CE1 3.59Å; V326-F350 HydrophobicContact CG2-CE2 4.41Å; V326-F350 HydrophobicContact CG2-CZ 3.84Å; V326-F350 WeakPolarHBondContact CG2-O 3.49Å; V326-F350 PolarHBondContact N-O 3.32Å; L336-F350 HydrophobicContact CD2-CE1 4.22Å; F346-F350 HydrophobicContact CB-CB 4.02Å; F346-F350 HydrophobicContact CB-CD1 4.19Å; F346-F350 HydrophobicContact CB-CG 4.17Å; F346-F350 AromaticContact CD1-CD1 3.6Å; F346-F350 HydrophobicContact CD1-CD1 3.6Å; F346-F350 AromaticContact CD1-CE1 3.62Å; F346-F350 HydrophobicContact CD1-CE1 3.62Å; F346-F350 HydrophobicContact CD1-CG 4.07Å; F346-F350 HydrophobicContact CD1-CZ 4.1Å; F346-F350 HydrophobicContact CE1-CD1 4.19Å; F346-F350 AromaticContact CE1-CE1 3.76Å; F346-F350 HydrophobicContact CE1-CE1 3.76Å; F346-F350 HydrophobicContact CE1-CZ 4.22Å; F346-F350 HydrophobicContact CG-CD1 4.03Å; F346-F350 HydrophobicContact CG-CE1 4.44Å; F346-F350 HydrophobicContact CG-CG 4.44Å; P347-F350 HydrophobicContact CB-CB 4.09Å; P347-F350 HydrophobicContact CG-CB 4.34Å; P347-F350 HydrophobicContact CG-CD2 4.17Å; P347-F350 WeakPolarHBondContact O-CB 3.45Å; P347-F350 PolarHBondContact O-N 3.31Å; M348-F350 VanDerWaalsContact C-N 3.27Å; M348-F350 PolarHBondContact O-N 3.33Å
351	F	92	Very high	89.3	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.4	3.8	179.6	-61.1	-71.6	0	0	0	113.8	V326 L336 F346 D349 N353 S354 V356 L359 W374 S377 L378	V326-F351 HydrophobicContact CG2-CD1 3.99Å; V326-F351 HydrophobicContact CG2-CE1 4.2Å; L336-F351 HydrophobicContact CD2-CE1 3.97Å; L336-F351 HydrophobicContact CD2-CZ 4.09Å; F346-F351 HydrophobicContact CB-CE2 4.41Å; F346-F351 HydrophobicContact CD1-CE2 4.43Å; F346-F351 HydrophobicContact CD1-CZ 4.46Å; F346-F351 AromaticContact CD2-CE2 3.75Å; F346-F351 HydrophobicContact CD2-CE2 3.75Å; F346-F351 HydrophobicContact CD2-CZ 4.21Å; F346-F351 HydrophobicContact CE1-CZ 4.33Å; F346-F351 HydrophobicContact CE2-CE2 4.03Å; F346-F351 HydrophobicContact CE2-CZ 4.06Å; F346-F351 AromaticContact CG-CE2 3.96Å; F346-F351 HydrophobicContact CG-CE2 3.96Å; F346-F351 HydrophobicContact CG-CZ 4.39Å; F346-F351 HydrophobicContact CZ-CE2 4.48Å; F346-F351 HydrophobicContact CZ-CZ 4.12Å; D349-F351 VanDerWaalsContact C-N 3.32Å; D349-F351 PolarHBondContact O-N 3.2Å; F351-N353 PolarHBondContact O-N 3.33Å; F351-S354 WeakPolarHBondContact O-CB 3.43Å; F351-S354 PolarHBondContact O-N 2.78Å; F351-S354 PolarHBondContact O-OG 3.11Å; F351-V356 HydrophobicContact CD1-CG2 4.02Å; F351-V356 HydrophobicContact CE1-CG2 4.24Å; F351-L359 HydrophobicContact CE1-CD1 4.46Å; F351-L359 HydrophobicContact CE1-CD2 4.44Å; F351-L359 HydrophobicContact CE2-CD2 4.06Å; F351-L359 HydrophobicContact CZ-CD1 4.04Å; F351-L359 HydrophobicContact CZ-CD2 3.73Å; F351-W374 AromaticContact CD2-CE3 3.84Å; F351-W374 HydrophobicContact CD2-CE3 3.84Å; F351-W374 HydrophobicContact CD2-CZ3 4.36Å; F351-W374 AromaticContact CE2-CE3 3.64Å; F351-W374 HydrophobicContact CE2-CE3 3.64Å; F351-W374 AromaticContact CE2-CZ3 3.86Å; F351-W374 HydrophobicContact CE2-CZ3 3.86Å; F351-S377 CarbonylContact C-O 3.01Å; F351-S377 VanDerWaalsContact C-O 3.3Å; F351-S377 PolarHBondContact N-OG 3.33Å; F351-L378 HydrophobicContact CB-CD2 3.94Å; F351-L378 HydrophobicContact CB-CG 4.5Å; F351-L378 HydrophobicContact CD1-CD2 4.06Å; F351-L378 HydrophobicContact CD2-CD2 3.58Å; F351-L378 HydrophobicContact CD2-CG 4.21Å; F351-L378 HydrophobicContact CE1-CD2 4.46Å; F351-L378 HydrophobicContact CE2-CD2 4.02Å; F351-L378 HydrophobicContact CG-CD2 3.59Å; F351-L378 HydrophobicContact CG-CG 4.46Å; F351-L378 HydrophobicContact CZ-CD2 4.44Å
352	A	88.7	Confident	89.1	Confident	33 Å²	33	35.8 Å²	35.8	27%	0.273	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	125.4	-177	0	0	0	0	0	111.2	Q327 D349 S354	Q327-A352 WeakPolarHBondContact CB-O 3.5Å; D349-A352 HydrophobicContact CB-CB 4.43Å; D349-A352 WeakPolarHBondContact O-CB 3.49Å; D349-A352 PolarHBondContact O-N 3.29Å; D349-A352 VanDerWaalsContact O-N 3.14Å; A352-S354 PolarHBondContact O-N 3.23Å
353	N	90	Very high	89	Confident	147 Å²	147	36 Å²	36	79%	0.786	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.6	24.1	-175.5	-62.5	-5.6	0	0	0	114.7	Q327 F351	Q327-N353 HydrophobicContact CB-CB 4.47Å; Q327-N353 HydrophobicContact CG-CB 4.09Å; Q327-N353 WeakPolarHBondContact CG-O 3.48Å; Q327-N353 PolarHBondContact OE1-O 3.32Å; F351-N353 PolarHBondContact O-N 3.33Å
354	S	92.9	Very high	89	Confident	11 Å²	11	37.1 Å²	37.1	8%	0.077	21%	0.212	C	C	.	.			trans	-83	161.3	177.4	71.4	0	0	0	0	112.7	F351 A352	F351-S354 WeakPolarHBondContact O-CB 3.43Å; F351-S354 PolarHBondContact O-N 2.78Å; F351-S354 PolarHBondContact O-OG 3.11Å; A352-S354 PolarHBondContact O-N 3.23Å
355	S	89	Confident	89	Confident	53 Å²	53	40.5 Å²	40.5	37%	0.371	23%	0.23	S	C	.	.			trans	-104.3	28.8	175.5	61.5	0	0	0	0	113.3	P331 L333 K357	P331-S355 PolarHBondContact O-OG 2.75Å; P331-S355 VanDerWaalsContact O-OG 3.1Å; L333-S355 CarbonylContact O-C 3.4Å; S355-K357 PolarHBondContact O-N 2.98Å
356	V	93.8	Very high	88.9	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	23%	0.228	C	C	.	.			trans	-68.5	121.1	-178.1	175.9	0	0	0	0	109.8	V326 F351 P379	V326-V356 HydrophobicContact CG1-CG2 4.04Å; F351-V356 HydrophobicContact CD1-CG2 4.02Å; F351-V356 HydrophobicContact CE1-CG2 4.24Å; V356-P379 VanDerWaalsContact O-CG 3.22Å; V356-P379 WeakPolarHBondContact O-CG 3.04Å
357	K	93.7	Very high	88.6	Confident	90 Å²	90	43 Å²	43	39%	0.391	24%	0.239	S	C	.	.			trans	-94.2	-35.4	-179.9	-64.5	-179.4	-177.8	165.4	0	113.2	E334 S355 V383	E334-K357 HydrophobicContact CB-CD 4.33Å; E334-K357 HydrophobicContact CB-CG 4.44Å; E334-K357 HydrophobicContact CG-CD 4.43Å; E334-K357 WeakPolarHBondContact O-CA 3.45Å; E334-K357 PolarHBondContact O-N 3.07Å; E334-K357 WeakPolarHBondContact OE2-CE 3.1Å; E334-K357 IonicContact OE2-NZ 3.02Å; E334-K357 PolarHBondContact OE2-NZ 2.94Å; S355-K357 PolarHBondContact O-N 2.98Å; K357-V383 PolarHBondContact O-N 2.95Å
358	T	93.9	Very high	88.2	Confident	20 Å²	20	44.3 Å²	44.3	12%	0.123	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	132.7	-179.1	68.8	0	0	0	0	112	E334 H335 L336 W360 V383	E334-T358 PolarHBondContact O-N 2.81Å; H335-T358 PolarHBondContact ND1-OG1 3.44Å; L336-T358 PolarHBondContact N-O 3.13Å; T358-W360 WeakPolarHBondContact OG1-CH2 3.39Å; T358-W360 WeakPolarHBondContact OG1-CZ3 3.24Å; T358-V383 WeakPolarHBondContact CA-O 3.3Å; T358-V383 HydrophobicContact CG2-CB 4.44Å
359	L	92.4	Very high	88.1	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	119.1	179.8	-176.1	65.4	0	0	0	110	L336 V338 F351 L361 W374 L378 V383 L384 K385	L336-L359 HydrophobicContact CB-CD1 3.74Å; L336-L359 HydrophobicContact CD2-CD1 3.68Å; L336-L359 HydrophobicContact CG-CD1 3.68Å; L336-L359 WeakPolarHBondContact O-CA 3.43Å; V338-L359 HydrophobicContact CG2-CD1 4.49Å; F351-L359 HydrophobicContact CE1-CD1 4.46Å; F351-L359 HydrophobicContact CE1-CD2 4.44Å; F351-L359 HydrophobicContact CE2-CD2 4.06Å; F351-L359 HydrophobicContact CZ-CD1 4.04Å; F351-L359 HydrophobicContact CZ-CD2 3.73Å; L359-L361 HydrophobicContact CD1-CD2 4.27Å; L359-L361 HydrophobicContact CD2-CD1 4.2Å; L359-L361 HydrophobicContact CD2-CD2 3.69Å; L359-L361 HydrophobicContact CD2-CG 4.12Å; L359-L361 HydrophobicContact CG-CD1 4.45Å; L359-L361 HydrophobicContact CG-CD2 3.64Å; L359-L361 HydrophobicContact CG-CG 3.91Å; L359-W374 HydrophobicContact CD2-CZ3 4.2Å; L359-L378 HydrophobicContact CD2-CD2 4.18Å; L359-V383 PolarHBondContact N-O 3.04Å; L359-L384 HydrophobicContact CB-CD2 3.58Å; L359-L384 HydrophobicContact CD2-CD2 3.62Å; L359-L384 HydrophobicContact CG-CD2 4.04Å; L359-L384 CarbonylContact O-C 3.52Å; L359-L384 WeakPolarHBondContact O-CA 3.05Å; L359-K385 PolarHBondContact O-N 3.32Å
360	W	93.3	Very high	87.8	Confident	65 Å²	65	40.5 Å²	40.5	25%	0.246	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	120	175.1	-70.6	-101.8	0	0	0	110.4	H335 L336 N337 V338 A339 T358 K385	H335-W360 HydrophobicContact CB-CZ3 4.24Å; L336-W360 PolarHBondContact O-N 3.38Å; N337-W360 HydrophobicContact CB-CB 4.29Å; N337-W360 HydrophobicContact CB-CD2 4.34Å; N337-W360 HydrophobicContact CB-CE3 3.89Å; N337-W360 VanDerWaalsContact OD1-CB 3.25Å; N337-W360 WeakPolarHBondContact OD1-CB 3.49Å; V338-W360 CarbonylContact C-O 3.56Å; V338-W360 WeakPolarHBondContact CG2-O 3.2Å; V338-W360 PolarHBondContact N-O 3.42Å; V338-W360 VanDerWaalsContact N-O 3.08Å; A339-W360 HydrophobicContact CB-CB 4.44Å; A339-W360 PolarHBondContact N-O 3.26Å; T358-W360 WeakPolarHBondContact OG1-CH2 3.39Å; T358-W360 WeakPolarHBondContact OG1-CZ3 3.24Å; W360-K385 HydrophobicContact CD2-CD 4.21Å; W360-K385 HydrophobicContact CG-CB 4.02Å; W360-K385 HydrophobicContact CG-CD 4.34Å; W360-K385 HydrophobicContact CZ2-CD 3.97Å
361	L	89.4	Confident	87.4	Confident	2 Å²	2	43.4 Å²	43.4	1%	0.01	24%	0.241	C	C	.	.			trans	-116.9	-0.9	-170.2	-64.3	176.9	0	0	0	114.2	V338 F346 L359 N364 W366 W374 L384 K385 I387	V338-L361 HydrophobicContact CG2-CD2 3.87Å; F346-L361 HydrophobicContact CE2-CD2 4.19Å; L359-L361 HydrophobicContact CD1-CD2 4.27Å; L359-L361 HydrophobicContact CD2-CD1 4.2Å; L359-L361 HydrophobicContact CD2-CD2 3.69Å; L359-L361 HydrophobicContact CD2-CG 4.12Å; L359-L361 HydrophobicContact CG-CD1 4.45Å; L359-L361 HydrophobicContact CG-CD2 3.64Å; L359-L361 HydrophobicContact CG-CG 3.91Å; L361-N364 PolarHBondContact O-ND2 3.4Å; L361-W366 HydrophobicContact CB-CZ2 4.33Å; L361-W366 HydrophobicContact CD2-CH2 4.07Å; L361-W366 HydrophobicContact CD2-CZ2 3.45Å; L361-W366 VanDerWaalsContact CD2-CZ2 3.45Å; L361-W366 HydrophobicContact CG-CZ2 4.45Å; L361-W366 PolarHBondContact O-NE1 2.91Å; L361-W374 HydrophobicContact CD1-CH2 4.1Å; L361-W374 HydrophobicContact CD2-CH2 4.26Å; L361-L384 HydrophobicContact CD1-CB 4.35Å; L361-L384 HydrophobicContact CD1-CD1 4.15Å; L361-L384 HydrophobicContact CD1-CD2 4.02Å; L361-L384 HydrophobicContact CD1-CG 4.41Å; L361-K385 PolarHBondContact N-O 3.41Å; L361-I387 HydrophobicContact CD1-CG1 4.43Å
362	D	88.1	Confident	87	Confident	58 Å²	58	43.5 Å²	43.5	31%	0.31	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.4	143.9	-175.8	-78.5	-67.4	0	0	0	113.3	A339 W340 N364 G386	A339-D362 CarbonylContact C-O 3.52Å; A339-D362 VanDerWaalsContact CA-O 3.23Å; A339-D362 WeakPolarHBondContact CA-O 3.44Å; A339-D362 HydrophobicContact CB-CB 3.94Å; W340-D362 PolarHBondContact N-O 3.21Å; D362-N364 VanDerWaalsContact C-N 3.27Å; D362-N364 PolarHBondContact O-N 3.12Å; D362-N364 VanDerWaalsContact O-N 3.15Å; D362-N364 PolarHBondContact O-ND2 3.44Å; D362-G386 WeakPolarHBondContact OD1-CA 3.48Å; D362-G386 WeakPolarHBondContact OD2-CA 3.06Å
363	G	87.3	Confident	86.6	Confident	41 Å²	41	42 Å²	42	42%	0.423	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.8	12	163.6	0	0	0	0	0	117.1
364	N	88.1	Confident	86.4	Confident	24 Å²	24	35.1 Å²	35.1	13%	0.128	19%	0.192	C	C	.	.			trans	-93.6	170	172	-72.4	-74.4	0	0	0	111.9	V338 C341 L343 L361 D362 W366	V338-N364 PolarHBondContact O-ND2 2.78Å; C341-N364 WeakPolarHBondContact CA-OD1 3.31Å; C341-N364 VanDerWaalsContact CB-OD1 3.26Å; C341-N364 WeakPolarHBondContact CB-OD1 3.46Å; C341-N364 PolarHBondContact N-OD1 2.93Å; C341-N364 PolarHBondContact O-OD1 2.95Å; L343-N364 HydrophobicContact CB-CB 4.44Å; L343-N364 WeakPolarHBondContact CB-OD1 3.18Å; L343-N364 PolarHBondContact N-OD1 3.01Å; L361-N364 PolarHBondContact O-ND2 3.4Å; D362-N364 VanDerWaalsContact C-N 3.27Å; D362-N364 PolarHBondContact O-N 3.12Å; D362-N364 VanDerWaalsContact O-N 3.15Å; D362-N364 PolarHBondContact O-ND2 3.44Å; N364-W366 HydrophobicContact CB-CD2 4.15Å; N364-W366 HydrophobicContact CB-CG 4.38Å; N364-W366 HydrophobicContact CB-CZ2 3.76Å
365	N	84.6	Confident	86	Confident	109 Å²	109	35.2 Å²	35.2	58%	0.583	19%	0.193	S	C	*	.			trans	-103.6	53	-179.1	-170.6	32.6	0	0	0	111.8	L343 D344 Q367	L343-N365 CarbonylContact O-C 3.41Å; L343-N365 PolarHBondContact O-N 3.36Å; D344-N365 WeakPolarHBondContact CA-O 3.41Å; N365-Q367 PolarHBondContact ND2-NE2 2.91Å; N365-Q367 PolarHBondContact O-N 2.91Å; N365-Q367 PolarHBondContact O-NE2 2.94Å
366	W	84.6	Confident	85.7	Confident	18 Å²	18	38.3 Å²	38.3	7%	0.068	21%	0.205	C	C	.	.			trans	-55.9	128.9	-178.2	-58.4	115.2	0	0	0	111.7	V338 L343 F346 L361 N364 W374	V338-W366 HydrophobicContact CG2-CZ2 4.3Å; L343-W366 HydrophobicContact CB-CH2 3.62Å; L343-W366 HydrophobicContact CB-CZ2 4.23Å; L343-W366 HydrophobicContact CB-CZ3 3.89Å; L343-W366 HydrophobicContact CD1-CH2 3.79Å; L343-W366 HydrophobicContact CD1-CZ2 4.41Å; L343-W366 HydrophobicContact CG-CH2 4.37Å; F346-W366 AromaticContact CD2-CH2 3.87Å; F346-W366 HydrophobicContact CD2-CH2 3.87Å; F346-W366 AromaticContact CD2-CZ3 3.91Å; F346-W366 HydrophobicContact CD2-CZ3 3.91Å; F346-W366 AromaticContact CE2-CH2 3.38Å; F346-W366 HydrophobicContact CE2-CH2 3.38Å; F346-W366 HydrophobicContact CE2-CZ2 4.28Å; F346-W366 AromaticContact CE2-CZ3 3.92Å; F346-W366 HydrophobicContact CE2-CZ3 3.92Å; F346-W366 HydrophobicContact CZ-CH2 4.06Å; L361-W366 HydrophobicContact CB-CZ2 4.33Å; L361-W366 HydrophobicContact CD2-CH2 4.07Å; L361-W366 HydrophobicContact CD2-CZ2 3.45Å; L361-W366 VanDerWaalsContact CD2-CZ2 3.45Å; L361-W366 HydrophobicContact CG-CZ2 4.45Å; L361-W366 PolarHBondContact O-NE1 2.91Å; N364-W366 HydrophobicContact CB-CD2 4.15Å; N364-W366 HydrophobicContact CB-CG 4.38Å; N364-W366 HydrophobicContact CB-CZ2 3.76Å; W366-W374 HydrophobicContact CD2-CZ2 4.42Å; W366-W374 AromaticContact CE3-CZ2 3.87Å; W366-W374 HydrophobicContact CE3-CZ2 3.87Å; W366-W374 HydrophobicContact CH2-CZ2 4.45Å; W366-W374 AromaticContact CZ3-CZ2 3.87Å; W366-W374 HydrophobicContact CZ3-CZ2 3.87Å
367	Q	80.4	Confident	85.3	Confident	59 Å²	59	39.6 Å²	39.6	28%	0.276	21%	0.214	S	C	.	.			trans	-95.2	120.7	-177.6	-62.7	-73	-41.8	0	0	109.9	D344 N365 D369 R371	D344-Q367 HydrophobicContact CB-CG 3.91Å; D344-Q367 PolarHBondContact O-N 3.48Å; N365-Q367 PolarHBondContact ND2-NE2 2.91Å; N365-Q367 PolarHBondContact O-N 2.91Å; N365-Q367 PolarHBondContact O-NE2 2.94Å; Q367-D369 PolarHBondContact O-N 3.47Å; Q367-R371 HydrophobicContact CB-CB 4.49Å; Q367-R371 VanDerWaalsContact CB-CZ 3.42Å; Q367-R371 VanDerWaalsContact CB-NH2 3.3Å; Q367-R371 VanDerWaalsContact CG-NH2 3.32Å; Q367-R371 VanDerWaalsContact OE1-NH2 3.08Å
368	C	77.8	Confident	85	Confident	69 Å²	69	36.7 Å²	36.7	47%	0.466	20%	0.202	S	C	.	.	S	Bend	trans	-83.7	39.4	-175.1	-44.1	0	0	0	0	113.3	C392	C368-C392 WeakPolarHBondContact CA-SG 3.48Å; C368-C392 HydrophobicContact CB-CB 3.68Å; C368-C392 WeakPolarHBondContact CB-SG 3.29Å; C368-C392 PolarHBondContact N-SG 2.89Å; C368-C392 WeakPolarHBondContact SG-CA 3.26Å; C368-C392 WeakPolarHBondContact SG-CB 3.07Å; C368-C392 PolarHBondContact SG-N 3.05Å; C368-C392 CovalentContact SG-SG 2.02Å; C368-C392 PolarHBondContact SG-SG 3.11Å
369	D	76.7	Confident	84.7	Confident	39 Å²	39	37.1 Å²	37.1	21%	0.209	21%	0.205	C	C	.	.	S	Bend	trans	-110.9	-153.3	172	60.8	20.4	0	0	0	109.2	Q367 R371 V372	Q367-D369 PolarHBondContact O-N 3.47Å; D369-R371 PolarHBondContact O-N 2.87Å; D369-R371 WeakPolarHBondContact OD1-CB 3.33Å; D369-R371 VanDerWaalsContact OD1-CG 3.26Å; D369-R371 WeakPolarHBondContact OD1-CG 3.46Å; D369-R371 IonicContact OD1-CZ 3.21Å; D369-R371 PolarHBondContact OD1-N 2.64Å; D369-R371 IonicContact OD1-NE 2.72Å; D369-R371 PolarHBondContact OD1-NE 2.86Å; D369-R371 IonicContact OD1-NH2 2.78Å; D369-R371 IonicContact OD2-CZ 3.48Å; D369-R371 VanDerWaalsContact OD2-CZ 3.3Å; D369-R371 IonicContact OD2-NE 3.6Å; D369-R371 PolarHBondContact OD2-NE 3.26Å; D369-R371 IonicContact OD2-NH2 2.77Å; D369-R371 PolarHBondContact OD2-NH2 3.28Å; D369-V372 WeakPolarHBondContact O-CG1 3.34Å; D369-V372 PolarHBondContact O-N 3.5Å; D369-V372 VanDerWaalsContact O-N 3.11Å
370	C	78.1	Confident	84.2	Confident	12 Å²	12	47.1 Å²	47.1	8%	0.081	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-63.7	-9.1	177	-73.6	0	0	0	0	115.3	V372 L373 C408	C370-V372 PolarHBondContact O-N 3.36Å; C370-L373 HydrophobicContact CB-CD1 3.78Å; C370-L373 HydrophobicContact CB-CG 4.4Å; C370-L373 WeakPolarHBondContact O-CB 3.5Å; C370-L373 WeakPolarHBondContact O-CD1 3.37Å; C370-L373 WeakPolarHBondContact O-CG 3.4Å; C370-L373 PolarHBondContact O-N 3.46Å; C370-C408 HydrophobicContact CB-CB 3.81Å; C370-C408 WeakPolarHBondContact CB-SG 3.38Å; C370-C408 WeakPolarHBondContact SG-CA 3.49Å; C370-C408 WeakPolarHBondContact SG-CB 3.32Å; C370-C408 CovalentContact SG-SG 2Å; C370-C408 PolarHBondContact SG-SG 2.84Å
371	R	81.1	Confident	83.9	Confident	62 Å²	62	49.1 Å²	49.1	23%	0.234	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-75.2	-8.1	173.6	-64.3	177.8	-76.6	-177.1	-5.2	113.4	A345 Q367 D369 W374	A345-R371 HydrophobicContact CB-CB 3.68Å; A345-R371 HydrophobicContact CB-CG 4.47Å; A345-R371 WeakPolarHBondContact CB-O 3.4Å; Q367-R371 HydrophobicContact CB-CB 4.49Å; Q367-R371 VanDerWaalsContact CB-CZ 3.42Å; Q367-R371 VanDerWaalsContact CB-NH2 3.3Å; Q367-R371 VanDerWaalsContact CG-NH2 3.32Å; Q367-R371 VanDerWaalsContact OE1-NH2 3.08Å; D369-R371 PolarHBondContact O-N 2.87Å; D369-R371 WeakPolarHBondContact OD1-CB 3.33Å; D369-R371 VanDerWaalsContact OD1-CG 3.26Å; D369-R371 WeakPolarHBondContact OD1-CG 3.46Å; D369-R371 IonicContact OD1-CZ 3.21Å; D369-R371 PolarHBondContact OD1-N 2.64Å; D369-R371 IonicContact OD1-NE 2.72Å; D369-R371 PolarHBondContact OD1-NE 2.86Å; D369-R371 IonicContact OD1-NH2 2.78Å; D369-R371 IonicContact OD2-CZ 3.48Å; D369-R371 VanDerWaalsContact OD2-CZ 3.3Å; D369-R371 IonicContact OD2-NE 3.6Å; D369-R371 PolarHBondContact OD2-NE 3.26Å; D369-R371 IonicContact OD2-NH2 2.77Å; D369-R371 PolarHBondContact OD2-NH2 3.28Å; R371-W374 PolarHBondContact O-NE1 3.03Å
372	V	83	Confident	83.8	Confident	2 Å²	2	49.4 Å²	49.4	1%	0.012	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-89.7	-7.2	171.6	80.9	0	0	0	0	113.2	D369 C370 W374 A375 C392 F393 V400 V403	D369-V372 WeakPolarHBondContact O-CG1 3.34Å; D369-V372 PolarHBondContact O-N 3.5Å; D369-V372 VanDerWaalsContact O-N 3.11Å; C370-V372 PolarHBondContact O-N 3.36Å; V372-W374 PolarHBondContact O-N 2.9Å; V372-A375 WeakPolarHBondContact O-CB 3.36Å; V372-A375 PolarHBondContact O-N 3.37Å; V372-C392 HydrophobicContact CG2-CB 4.12Å; V372-F393 HydrophobicContact CG2-CE1 3.61Å; V372-F393 HydrophobicContact CG2-CE2 4.12Å; V372-F393 HydrophobicContact CG2-CZ 3.36Å; V372-V400 HydrophobicContact CG1-CG1 3.6Å; V372-V403 HydrophobicContact CG1-CG2 4.07Å
373	L	80.9	Confident	83.8	Confident	2 Å²	2	50 Å²	50	1%	0.01	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-63	-18.1	-173.9	-73.1	172.9	0	0	0	113.6	M348 C370 A375 L376 V403 I405	M348-L373 HydrophobicContact CE-CB 3.65Å; M348-L373 HydrophobicContact CE-CD1 4.12Å; M348-L373 HydrophobicContact SD-CB 3.06Å; M348-L373 WeakPolarHBondContact SD-CB 3.5Å; M348-L373 HydrophobicContact SD-CD1 4.26Å; M348-L373 HydrophobicContact SD-CG 4.29Å; C370-L373 HydrophobicContact CB-CD1 3.78Å; C370-L373 HydrophobicContact CB-CG 4.4Å; C370-L373 WeakPolarHBondContact O-CB 3.5Å; C370-L373 WeakPolarHBondContact O-CD1 3.37Å; C370-L373 WeakPolarHBondContact O-CG 3.4Å; C370-L373 PolarHBondContact O-N 3.46Å; L373-A375 PolarHBondContact O-N 3.42Å; L373-A375 VanDerWaalsContact O-N 3.12Å; L373-L376 HydrophobicContact CD2-CD1 3.65Å; L373-L376 WeakPolarHBondContact O-CB 3.22Å; L373-L376 PolarHBondContact O-N 3.39Å; L373-V403 HydrophobicContact CD2-CB 4.1Å; L373-V403 HydrophobicContact CD2-CG1 3.87Å; L373-V403 WeakPolarHBondContact CD2-O 3.5Å; L373-V403 HydrophobicContact CG-CG1 4.14Å; L373-I405 HydrophobicContact CD1-CG1 3.95Å
374	W	86.2	Confident	83.8	Confident	2 Å²	2	48.6 Å²	48.6	1%	0.008	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-55.9	-26.6	170.7	57.5	-101.2	0	0	0	112.6	F346 P347 M348 F351 L359 L361 W366 R371 V372 L376 S377 L378 F393	F346-W374 HydrophobicContact CB-CB 4.1Å; F346-W374 HydrophobicContact CB-CD2 3.96Å; F346-W374 HydrophobicContact CB-CE3 4.49Å; F346-W374 HydrophobicContact CB-CG 3.74Å; F346-W374 AromaticContact CD2-CD2 3.83Å; F346-W374 HydrophobicContact CD2-CD2 3.83Å; F346-W374 AromaticContact CD2-CE2 3.8Å; F346-W374 AromaticContact CD2-CE3 3.9Å; F346-W374 HydrophobicContact CD2-CE3 3.9Å; F346-W374 HydrophobicContact CD2-CG 4.5Å; F346-W374 AromaticContact CD2-CH2 3.96Å; F346-W374 HydrophobicContact CD2-CH2 3.96Å; F346-W374 AromaticContact CD2-CZ2 3.89Å; F346-W374 HydrophobicContact CD2-CZ2 3.89Å; F346-W374 AromaticContact CD2-CZ3 3.96Å; F346-W374 HydrophobicContact CD2-CZ3 3.96Å; F346-W374 HydrophobicContact CE2-CH2 4.23Å; F346-W374 HydrophobicContact CE2-CZ2 4.43Å; F346-W374 HydrophobicContact CE2-CZ3 4.36Å; F346-W374 HydrophobicContact CG-CD2 4.39Å; F346-W374 VanDerWaalsContact N-CD1 3.34Å; F346-W374 VanDerWaalsContact O-CD1 3.25Å; P347-W374 VanDerWaalsContact O-CB 3.26Å; P347-W374 WeakPolarHBondContact O-CB 3.13Å; M348-W374 WeakPolarHBondContact O-CA 3.25Å; M348-W374 PolarHBondContact SD-N 2.98Å; M348-W374 VanDerWaalsContact SD-N 3.44Å; F351-W374 AromaticContact CD2-CE3 3.84Å; F351-W374 HydrophobicContact CD2-CE3 3.84Å; F351-W374 HydrophobicContact CD2-CZ3 4.36Å; F351-W374 AromaticContact CE2-CE3 3.64Å; F351-W374 HydrophobicContact CE2-CE3 3.64Å; F351-W374 AromaticContact CE2-CZ3 3.86Å; F351-W374 HydrophobicContact CE2-CZ3 3.86Å; L359-W374 HydrophobicContact CD2-CZ3 4.2Å; L361-W374 HydrophobicContact CD1-CH2 4.1Å; L361-W374 HydrophobicContact CD2-CH2 4.26Å; W366-W374 HydrophobicContact CD2-CZ2 4.42Å; W366-W374 AromaticContact CE3-CZ2 3.87Å; W366-W374 HydrophobicContact CE3-CZ2 3.87Å; W366-W374 HydrophobicContact CH2-CZ2 4.45Å; W366-W374 AromaticContact CZ3-CZ2 3.87Å; W366-W374 HydrophobicContact CZ3-CZ2 3.87Å; R371-W374 PolarHBondContact O-NE1 3.03Å; V372-W374 PolarHBondContact O-N 2.9Å; W374-L376 PolarHBondContact O-N 3.37Å; W374-S377 WeakPolarHBondContact O-CB 3.46Å; W374-S377 PolarHBondContact O-N 2.87Å; W374-S377 PolarHBondContact O-OG 3.38Å; W374-L378 HydrophobicContact CZ3-CD1 4.05Å; W374-F393 AromaticContact CH2-CZ 3.92Å; W374-F393 HydrophobicContact CH2-CZ 3.92Å; W374-F393 AromaticContact CZ2-CZ 3.94Å; W374-F393 HydrophobicContact CZ2-CZ 3.94Å
375	A	84.2	Confident	83.7	Confident	13 Å²	13	51.7 Å²	51.7	11%	0.107	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-68.9	-18.8	178	0	0	0	0	0	112.9	V372 L373 S377 L378 F393 V400	V372-A375 WeakPolarHBondContact O-CB 3.36Å; V372-A375 PolarHBondContact O-N 3.37Å; L373-A375 PolarHBondContact O-N 3.42Å; L373-A375 VanDerWaalsContact O-N 3.12Å; A375-S377 PolarHBondContact O-N 3.02Å; A375-L378 HydrophobicContact CB-CD1 3.97Å; A375-L378 WeakPolarHBondContact O-CB 3.33Å; A375-L378 PolarHBondContact O-N 3.42Å; A375-F393 HydrophobicContact CB-CE1 3.73Å; A375-F393 HydrophobicContact CB-CZ 4.49Å; A375-V400 HydrophobicContact CB-CG2 3.5Å
376	L	82.1	Confident	83.4	Confident	117 Å²	117	47.7 Å²	47.7	61%	0.613	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	-71.3	-19.3	169.9	-59.9	177.8	0	0	0	112.5	L373 W374 L378 V400	L373-L376 HydrophobicContact CD2-CD1 3.65Å; L373-L376 WeakPolarHBondContact O-CB 3.22Å; L373-L376 PolarHBondContact O-N 3.39Å; W374-L376 PolarHBondContact O-N 3.37Å; L376-L378 VanDerWaalsContact C-N 3.34Å; L376-V400 HydrophobicContact CD2-CB 4.48Å; L376-V400 HydrophobicContact CD2-CG2 4.47Å
377	S	85.4	Confident	82.6	Confident	28 Å²	28	47.7 Å²	47.7	20%	0.196	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-87.3	-3.6	176	77.9	0	0	0	0	113.3	M348 F351 W374 A375	M348-S377 PolarHBondContact O-OG 3Å; F351-S377 CarbonylContact C-O 3.01Å; F351-S377 VanDerWaalsContact C-O 3.3Å; F351-S377 PolarHBondContact N-OG 3.33Å; W374-S377 WeakPolarHBondContact O-CB 3.46Å; W374-S377 PolarHBondContact O-N 2.87Å; W374-S377 PolarHBondContact O-OG 3.38Å; A375-S377 PolarHBondContact O-N 3.02Å
378	L	87.6	Confident	81.8	Confident	28 Å²	28	53.1 Å²	53.1	15%	0.147	29%	0.288	C	S	.	.	S	Bend	trans	-68.2	146.1	176.6	-72.8	167.1	0	0	0	110.9	F351 L359 W374 A375 L376 L384	F351-L378 HydrophobicContact CB-CD2 3.94Å; F351-L378 HydrophobicContact CB-CG 4.5Å; F351-L378 HydrophobicContact CD1-CD2 4.06Å; F351-L378 HydrophobicContact CD2-CD2 3.58Å; F351-L378 HydrophobicContact CD2-CG 4.21Å; F351-L378 HydrophobicContact CE1-CD2 4.46Å; F351-L378 HydrophobicContact CE2-CD2 4.02Å; F351-L378 HydrophobicContact CG-CD2 3.59Å; F351-L378 HydrophobicContact CG-CG 4.46Å; F351-L378 HydrophobicContact CZ-CD2 4.44Å; L359-L378 HydrophobicContact CD2-CD2 4.18Å; W374-L378 HydrophobicContact CZ3-CD1 4.05Å; A375-L378 HydrophobicContact CB-CD1 3.97Å; A375-L378 WeakPolarHBondContact O-CB 3.33Å; A375-L378 PolarHBondContact O-N 3.42Å; L376-L378 VanDerWaalsContact C-N 3.34Å; L378-L384 HydrophobicContact CD1-CD1 3.98Å; L378-L384 HydrophobicContact CD1-CD2 3.89Å; L378-L384 HydrophobicContact CD1-CG 4.38Å
379	P	87.4	Confident	80.8	Confident	29 Å²	29	58.8 Å²	58.8	19%	0.188	31%	0.305	C	S	.	.			trans	-67.6	148.6	172.5	28.9	-31.6	0	0	0	110.6	V356 D381 A382	V356-P379 VanDerWaalsContact O-CG 3.22Å; V356-P379 WeakPolarHBondContact O-CG 3.04Å; P379-D381 PolarHBondContact O-N 3.11Å; P379-A382 HydrophobicContact CG-CB 4.03Å; P379-A382 VanDerWaalsContact O-CB 3.27Å; P379-A382 WeakPolarHBondContact O-CB 3.47Å; P379-A382 PolarHBondContact O-N 2.85Å; P379-A382 VanDerWaalsContact O-N 3.08Å
380	E	82.4	Confident	80	Confident	210 Å²	210	58 Å²	58	98%	0.981	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-25.7	-172	-64.6	-170.8	163.8	0	0	113.9
381	D	85.8	Confident	79.3	Confident	107 Å²	107	64.5 Å²	64.5	57%	0.572	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	0.1	179.2	66.3	-43.6	0	0	0	113.7	P379 V383	P379-D381 PolarHBondContact O-N 3.11Å; D381-V383 PolarHBondContact O-N 2.71Å
382	A	88.6	Confident	78.7	Confident	9 Å²	9	61.6 Å²	61.6	7%	0.074	33%	0.325	C	S	.	.			trans	-62.2	127.1	177.4	0	0	0	0	0	111.4	P379 Q398	P379-A382 HydrophobicContact CG-CB 4.03Å; P379-A382 VanDerWaalsContact O-CB 3.27Å; P379-A382 WeakPolarHBondContact O-CB 3.47Å; P379-A382 PolarHBondContact O-N 2.85Å; P379-A382 VanDerWaalsContact O-N 3.08Å; A382-Q398 PolarHBondContact O-OE1 3.42Å
383	V	87.8	Confident	78.1	Confident	71 Å²	71	62 Å²	62	43%	0.43	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	103.7	173.1	-177.4	0	0	0	0	109.6	K357 T358 L359 D381	K357-V383 PolarHBondContact O-N 2.95Å; T358-V383 WeakPolarHBondContact CA-O 3.3Å; T358-V383 HydrophobicContact CG2-CB 4.44Å; L359-V383 PolarHBondContact N-O 3.04Å; D381-V383 PolarHBondContact O-N 2.71Å
384	L	86.9	Confident	76.9	Confident	11 Å²	11	66.3 Å²	66.3	6%	0.058	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	129.3	170	-52.1	-178.3	0	0	0	111.9	L359 L361 L378 I387 Q398	L359-L384 HydrophobicContact CB-CD2 3.58Å; L359-L384 HydrophobicContact CD2-CD2 3.62Å; L359-L384 HydrophobicContact CG-CD2 4.04Å; L359-L384 CarbonylContact O-C 3.52Å; L359-L384 WeakPolarHBondContact O-CA 3.05Å; L361-L384 HydrophobicContact CD1-CB 4.35Å; L361-L384 HydrophobicContact CD1-CD1 4.15Å; L361-L384 HydrophobicContact CD1-CD2 4.02Å; L361-L384 HydrophobicContact CD1-CG 4.41Å; L378-L384 HydrophobicContact CD1-CD1 3.98Å; L378-L384 HydrophobicContact CD1-CD2 3.89Å; L378-L384 HydrophobicContact CD1-CG 4.38Å; L384-I387 HydrophobicContact CB-CD1 3.27Å; L384-I387 HydrophobicContact CB-CG1 4.2Å; L384-I387 HydrophobicContact CD1-CD1 3.56Å; L384-I387 HydrophobicContact CG-CD1 4.03Å; L384-Q398 HydrophobicContact CB-CG 4.02Å; L384-Q398 VanDerWaalsContact CB-OE1 3.27Å; L384-Q398 HydrophobicContact CD1-CB 3.97Å; L384-Q398 HydrophobicContact CD1-CG 4.18Å; L384-Q398 HydrophobicContact CG-CB 4.38Å; L384-Q398 HydrophobicContact CG-CG 4.22Å; L384-Q398 VanDerWaalsContact N-CD 3.27Å; L384-Q398 PolarHBondContact O-NE2 3.21Å
385	K	86.6	Confident	75.4	Confident	89 Å²	89	69 Å²	69	39%	0.387	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	140.1	175.8	-71	179	177	175.9	0	109.9	L359 W360 L361	L359-K385 PolarHBondContact O-N 3.32Å; W360-K385 HydrophobicContact CD2-CD 4.21Å; W360-K385 HydrophobicContact CG-CB 4.02Å; W360-K385 HydrophobicContact CG-CD 4.34Å; W360-K385 HydrophobicContact CZ2-CD 3.97Å; L361-K385 PolarHBondContact N-O 3.41Å
386	G	78.1	Confident	73.7	Confident	24 Å²	24	72.8 Å²	72.8	25%	0.247	41%	0.412	C	S	.	.	S	Bend	trans	92.3	20.6	173	0	0	0	0	0	117.6	D362	D362-G386 WeakPolarHBondContact OD1-CA 3.48Å; D362-G386 WeakPolarHBondContact OD2-CA 3.06Å
387	I	68.1	Low	72.3	Confident	19 Å²	19	73.6 Å²	73.6	10%	0.097	42%	0.418	C	S	.	.			trans	-82.5	-20.1	-174.5	-75.8	173.1	0	0	0	113.7	L361 L384 K389 S390 F393 Q398	L361-I387 HydrophobicContact CD1-CG1 4.43Å; L384-I387 HydrophobicContact CB-CD1 3.27Å; L384-I387 HydrophobicContact CB-CG1 4.2Å; L384-I387 HydrophobicContact CD1-CD1 3.56Å; L384-I387 HydrophobicContact CG-CD1 4.03Å; I387-K389 PolarHBondContact O-N 2.96Å; I387-S390 PolarHBondContact O-N 3.33Å; I387-S390 PolarHBondContact O-OG 3.42Å; I387-F393 HydrophobicContact CD1-CB 4.14Å; I387-F393 HydrophobicContact CD1-CG 4.26Å; I387-F393 HydrophobicContact CG1-CB 4.45Å; I387-F393 HydrophobicContact CG1-CD2 4.35Å; I387-F393 HydrophobicContact CG2-CB 3.48Å; I387-F393 VanDerWaalsContact CG2-CB 3.48Å; I387-F393 HydrophobicContact CG2-CD2 4.36Å; I387-F393 HydrophobicContact CG2-CG 4.29Å; I387-Q398 HydrophobicContact CD1-CG 3.96Å
388	N	62.2	Low	70.9	Confident	173 Å²	173	74.5 Å²	74.5	93%	0.925	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-11.8	-166.7	-71	-1.6	0	0	0	115.4
389	K	57.2	Low	69.4	Low	188 Å²	188	82.9 Å²	82.9	82%	0.817	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.5	-12.8	175.5	-68.9	-172.7	178.4	-179.4	0	115.2	I387	I387-K389 PolarHBondContact O-N 2.96Å
390	S	60.9	Low	68.3	Low	22 Å²	22	82.6 Å²	82.6	15%	0.154	45%	0.446	C	S	.	.			trans	-94.7	112.4	-179.9	51.8	0	0	0	0	110.1	I387 C392	I387-S390 PolarHBondContact O-N 3.33Å; I387-S390 PolarHBondContact O-OG 3.42Å; S390-C392 PolarHBondContact O-N 3.14Å
391	N	62.7	Low	67.1	Low	148 Å²	148	75.1 Å²	75.1	79%	0.791	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-7.4	179.1	-72.1	-6.9	0	0	0	114.4
392	C	69.6	Low	65.9	Low	1 Å²	1	78.2 Å²	78.2	1%	0.007	43%	0.431	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-19.2	-175	-39.9	0	0	0	0	114.2	C368 V372 S390 T401	C368-C392 WeakPolarHBondContact CA-SG 3.48Å; C368-C392 HydrophobicContact CB-CB 3.68Å; C368-C392 WeakPolarHBondContact CB-SG 3.29Å; C368-C392 PolarHBondContact N-SG 2.89Å; C368-C392 WeakPolarHBondContact SG-CA 3.26Å; C368-C392 WeakPolarHBondContact SG-CB 3.07Å; C368-C392 PolarHBondContact SG-N 3.05Å; C368-C392 CovalentContact SG-SG 2.02Å; C368-C392 PolarHBondContact SG-SG 3.11Å; V372-C392 HydrophobicContact CG2-CB 4.12Å; S390-C392 PolarHBondContact O-N 3.14Å; C392-T401 PolarHBondContact O-OG1 3.14Å
393	F	68.7	Low	64.8	Low	10 Å²	10	79.6 Å²	79.6	4%	0.044	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	122.5	-173	-54.5	-83.8	0	0	0	108.6	V372 W374 A375 I387 V400	V372-F393 HydrophobicContact CG2-CE1 3.61Å; V372-F393 HydrophobicContact CG2-CE2 4.12Å; V372-F393 HydrophobicContact CG2-CZ 3.36Å; W374-F393 AromaticContact CH2-CZ 3.92Å; W374-F393 HydrophobicContact CH2-CZ 3.92Å; W374-F393 AromaticContact CZ2-CZ 3.94Å; W374-F393 HydrophobicContact CZ2-CZ 3.94Å; A375-F393 HydrophobicContact CB-CE1 3.73Å; A375-F393 HydrophobicContact CB-CZ 4.49Å; I387-F393 HydrophobicContact CD1-CB 4.14Å; I387-F393 HydrophobicContact CD1-CG 4.26Å; I387-F393 HydrophobicContact CG1-CB 4.45Å; I387-F393 HydrophobicContact CG1-CD2 4.35Å; I387-F393 HydrophobicContact CG2-CB 3.48Å; I387-F393 VanDerWaalsContact CG2-CB 3.48Å; I387-F393 HydrophobicContact CG2-CD2 4.36Å; I387-F393 HydrophobicContact CG2-CG 4.29Å; F393-V400 HydrophobicContact CD1-CG2 4.27Å; F393-V400 HydrophobicContact CE1-CG2 4.18Å
394	V	57.2	Low	63.9	Low	93 Å²	93	78.3 Å²	78.3	56%	0.564	43%	0.433	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.7	132.2	-174.7	174.1	0	0	0	0	110.6	T401	V394-T401 HydrophobicContact CB-CG2 3.96Å; V394-T401 HydrophobicContact CG2-CG2 3.28Å
395	G	53.3	Low	63.1	Low	58 Å²	58	82.1 Å²	82.1	60%	0.598	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.5	164.5	172	0	0	0	0	0	115.3	N397 Q398	G395-N397 PolarHBondContact O-N 2.77Å; G395-Q398 PolarHBondContact O-N 3.3Å
396	A	50.1	Low	62.2	Low	93 Å²	93	86.3 Å²	86.3	77%	0.769	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-24.6	178.6	0	0	0	0	0	113.1	Q398	A396-Q398 VanDerWaalsContact C-N 3.35Å
397	N	51	Low	62.1	Low	135 Å²	135	92.6 Å²	92.6	72%	0.722	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.5	11	-178.8	-60.8	7.7	0	0	0	113.2	G395 R399	G395-N397 PolarHBondContact O-N 2.77Å; N397-R399 PolarHBondContact O-N 3.25Å
398	Q	56	Low	62.6	Low	46 Å²	46	92.9 Å²	92.9	22%	0.215	50%	0.5	C	S	.	.	T	Hydrogen-bonded Turn	trans	59	26.9	159.4	-62.8	164.6	13.2	0	0	115.7	A382 L384 I387 G395 A396	A382-Q398 PolarHBondContact O-OE1 3.42Å; L384-Q398 HydrophobicContact CB-CG 4.02Å; L384-Q398 VanDerWaalsContact CB-OE1 3.27Å; L384-Q398 HydrophobicContact CD1-CB 3.97Å; L384-Q398 HydrophobicContact CD1-CG 4.18Å; L384-Q398 HydrophobicContact CG-CB 4.38Å; L384-Q398 HydrophobicContact CG-CG 4.22Å; L384-Q398 VanDerWaalsContact N-CD 3.27Å; L384-Q398 PolarHBondContact O-NE2 3.21Å; I387-Q398 HydrophobicContact CD1-CG 3.96Å; G395-Q398 PolarHBondContact O-N 3.3Å; A396-Q398 VanDerWaalsContact C-N 3.35Å
399	R	57.7	Low	63.2	Low	204 Å²	204	87 Å²	87	77%	0.77	47%	0.471	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.7	126.7	177.1	-68.3	-174.9	178.9	-176	-2	109.6	N397	N397-R399 PolarHBondContact O-N 3.25Å
400	V	63.4	Low	64.4	Low	23 Å²	23	87 Å²	87	14%	0.139	47%	0.471	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.6	134.7	173.9	178.9	0	0	0	0	109.2	V372 A375 L376 F393 N402 V403	V372-V400 HydrophobicContact CG1-CG1 3.6Å; A375-V400 HydrophobicContact CB-CG2 3.5Å; L376-V400 HydrophobicContact CD2-CB 4.48Å; L376-V400 HydrophobicContact CD2-CG2 4.47Å; F393-V400 HydrophobicContact CD1-CG2 4.27Å; F393-V400 HydrophobicContact CE1-CG2 4.18Å; V400-N402 PolarHBondContact O-N 3.05Å; V400-N402 VanDerWaalsContact O-N 3.14Å; V400-V403 HydrophobicContact CG1-CB 4.41Å; V400-V403 HydrophobicContact CG1-CG2 4.09Å
401	T	57.7	Low	65.6	Low	54 Å²	54	87.1 Å²	87.1	33%	0.331	47%	0.47	S	S	.	.			trans	-65.8	109.4	176.4	49.7	0	0	0	0	110.9	C392 V394 V403	C392-T401 PolarHBondContact O-OG1 3.14Å; V394-T401 HydrophobicContact CB-CG2 3.96Å; V394-T401 HydrophobicContact CG2-CG2 3.28Å; T401-V403 WeakPolarHBondContact O-CG2 3.24Å; T401-V403 PolarHBondContact O-N 2.85Å
402	N	59.4	Low	66.7	Low	171 Å²	171	80.4 Å²	80.4	91%	0.914	44%	0.435	S	S	*	.	S	Bend	trans	32.5	31.8	158.7	-69.6	-0.2	0	0	0	118.8	V400 S404	V400-N402 PolarHBondContact O-N 3.05Å; V400-N402 VanDerWaalsContact O-N 3.14Å; N402-S404 PolarHBondContact O-N 3.39Å
403	V	65.6	Low	67.6	Low	38 Å²	38	80.6 Å²	80.6	23%	0.23	44%	0.436	C	S	.	.			trans	-85.3	109.9	176.7	-174	0	0	0	0	107.2	V372 L373 V400 T401	V372-V403 HydrophobicContact CG1-CG2 4.07Å; L373-V403 HydrophobicContact CD2-CB 4.1Å; L373-V403 HydrophobicContact CD2-CG1 3.87Å; L373-V403 WeakPolarHBondContact CD2-O 3.5Å; L373-V403 HydrophobicContact CG-CG1 4.14Å; V400-V403 HydrophobicContact CG1-CB 4.41Å; V400-V403 HydrophobicContact CG1-CG2 4.09Å; T401-V403 WeakPolarHBondContact O-CG2 3.24Å; T401-V403 PolarHBondContact O-N 2.85Å
404	S	69.1	Low	68.4	Low	44 Å²	44	83.6 Å²	83.6	31%	0.308	46%	0.463	S	S	.	.			trans	-98.1	147.5	170.2	82.7	0	0	0	0	110.7	N402 E406 H407	N402-S404 PolarHBondContact O-N 3.39Å; S404-E406 PolarHBondContact O-N 2.77Å; S404-H407 PolarHBondContact O-N 3.09Å; S404-H407 VanDerWaalsContact O-N 3.12Å; S404-H407 PolarHBondContact OG-ND1 3.03Å
405	I	69.7	Low	69.7	Low	91 Å²	91	84 Å²	84	47%	0.467	46%	0.458	S	S	.	.	G	3₁₀ helix	trans	-58.6	-31.3	178.9	-63	168.3	0	0	0	111.1	L373 H407 C408 Y438	L373-I405 HydrophobicContact CD1-CG1 3.95Å; I405-H407 PolarHBondContact O-N 3.01Å; I405-C408 WeakPolarHBondContact O-CB 3.21Å; I405-C408 PolarHBondContact O-N 2.95Å; I405-C408 PolarHBondContact O-SG 3.35Å; I405-Y438 HydrophobicContact CG2-CD1 4.04Å; I405-Y438 HydrophobicContact CG2-CE1 3.95Å
406	E	69.3	Low	71.2	Confident	178 Å²	178	85.2 Å²	85.2	83%	0.832	46%	0.455	S	S	*	.	G	3₁₀ helix	trans	-64.1	-25.8	179.8	-62.8	-179.5	170.8	0	0	113.5	S404	S404-E406 PolarHBondContact O-N 2.77Å
407	H	75.3	Confident	72.8	Confident	155 Å²	155	88.7 Å²	88.7	72%	0.718	46%	0.461	S	S	*	.	G	3₁₀ helix	trans	-98	14	179.2	-63.2	97.7	0	0	0	113	S404 I405	S404-H407 PolarHBondContact O-N 3.09Å; S404-H407 VanDerWaalsContact O-N 3.12Å; S404-H407 PolarHBondContact OG-ND1 3.03Å; I405-H407 PolarHBondContact O-N 3.01Å
408	C	78.3	Confident	74.5	Confident	26 Å²	26	83.5 Å²	83.5	18%	0.176	44%	0.44	C	S	.	.	P	Polyproline II helix	trans	-64.5	138	177.9	-68.1	0	0	0	0	112.4	C370 I405 K410	C370-C408 HydrophobicContact CB-CB 3.81Å; C370-C408 WeakPolarHBondContact CB-SG 3.38Å; C370-C408 WeakPolarHBondContact SG-CA 3.49Å; C370-C408 WeakPolarHBondContact SG-CB 3.32Å; C370-C408 CovalentContact SG-SG 2Å; C370-C408 PolarHBondContact SG-SG 2.84Å; I405-C408 WeakPolarHBondContact O-CB 3.21Å; I405-C408 PolarHBondContact O-N 2.95Å; I405-C408 PolarHBondContact O-SG 3.35Å; C408-K410 PolarHBondContact O-N 2.91Å
409	P	75.9	Confident	76.1	Confident	50 Å²	50	83.6 Å²	83.6	33%	0.325	44%	0.438	S	S	.	.	P	Polyproline II helix	trans	-60.1	140.5	174.1	25.7	-32.7	0	0	0	109.8	Y436	P409-Y436 HydrophobicContact CB-CD2 3.99Å; P409-Y436 HydrophobicContact CB-CE2 4.06Å; P409-Y436 HydrophobicContact CG-CD2 4.05Å
410	K	81.2	Confident	77.6	Confident	187 Å²	187	77.4 Å²	77.4	81%	0.813	42%	0.423	S	S	*	.	P	Polyproline II helix	trans	-57.3	156.4	169.7	-65.7	-176.8	-179.4	-179.7	0	109.7	C408 G412 Y436	C408-K410 PolarHBondContact O-N 2.91Å; K410-G412 PolarHBondContact O-N 3Å; K410-Y436 VanDerWaalsContact O-CE2 3.25Å; K410-Y436 WeakPolarHBondContact O-CE2 3.15Å
411	I	86.7	Confident	78.7	Confident	25 Å²	25	79.5 Å²	79.5	13%	0.128	43%	0.431	C	S	.	.	S	Bend	trans	-53.2	132.7	178.9	-174.1	172.3	0	0	0	111.5	Y436 P441 V503 N505	I411-Y436 WeakPolarHBondContact CA-O 3.24Å; I411-P441 HydrophobicContact CD1-CB 3.73Å; I411-P441 HydrophobicContact CD1-CG 4.47Å; I411-V503 HydrophobicContact CD1-CB 4.41Å; I411-V503 HydrophobicContact CD1-CG2 4.01Å; I411-V503 HydrophobicContact CG1-CG2 4.13Å; I411-N505 HydrophobicContact CD1-CB 4.13Å
412	G	86.6	Confident	80.1	Confident	6 Å²	6	85.4 Å²	85.4	6%	0.062	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.9	177.6	-180	0	0	0	0	0	112.7	K410 E435 Y436	K410-G412 PolarHBondContact O-N 3Å; G412-E435 WeakPolarHBondContact O-CA 3.39Å; G412-Y436 VanDerWaalsContact C-CE1 3.46Å; G412-Y436 PolarHBondContact N-O 3.21Å; G412-Y436 PolarHBondContact O-N 3.01Å
413	I	87.4	Confident	81.3	Confident	6 Å²	6	77.5 Å²	77.5	3%	0.031	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	135.6	174.6	-63.4	167.2	0	0	0	107.1	E415 P416 C433 G434 Y436 V503 A510 S511	I413-E415 PolarHBondContact O-N 3.42Å; I413-P416 WeakPolarHBondContact O-CD 3.19Å; I413-C433 VanDerWaalsContact CG2-O 3.29Å; I413-C433 WeakPolarHBondContact CG2-O 3.48Å; I413-G434 WeakPolarHBondContact CA-O 3.36Å; I413-Y436 VanDerWaalsContact C-CE1 3.49Å; I413-V503 HydrophobicContact CD1-CG2 4Å; I413-V503 HydrophobicContact CG1-CG2 3.82Å; I413-A510 HydrophobicContact CD1-CB 4.21Å; I413-A510 HydrophobicContact CG1-CB 4.13Å; I413-S511 VanDerWaalsContact CD1-C 3.48Å
414	A	84.6	Confident	81.9	Confident	73 Å²	73	83.5 Å²	83.5	60%	0.603	42%	0.424	S	S	*	.	S	Bend	trans	-58	-34.2	-175.4	0	0	0	0	0	113.1	P416 G434	A414-P416 VanDerWaalsContact O-CD 3.3Å; A414-P416 WeakPolarHBondContact O-CD 3.47Å; A414-G434 PolarHBondContact N-O 3.48Å
415	E	86.2	Confident	82.1	Confident	100 Å²	100	85 Å²	85	47%	0.467	43%	0.428	S	S	.	.			trans	-117.4	77	178.7	-65.1	179.1	158.1	0	0	110.5	I413 N417 G418 R419 S512	I413-E415 PolarHBondContact O-N 3.42Å; E415-N417 VanDerWaalsContact C-N 3.32Å; E415-N417 PolarHBondContact O-N 3Å; E415-G418 PolarHBondContact O-N 3.3Å; E415-R419 WeakPolarHBondContact OE2-CB 3.44Å; E415-R419 WeakPolarHBondContact OE2-CD 3.09Å; E415-S512 WeakPolarHBondContact O-CB 3.19Å; E415-S512 PolarHBondContact O-OG 3.46Å
416	P	83.1	Confident	82.2	Confident	84 Å²	84	83.4 Å²	83.4	55%	0.545	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-27.7	-174.2	28.2	-34.3	0	0	0	113	I413 A414 G418	I413-P416 WeakPolarHBondContact O-CD 3.19Å; A414-P416 VanDerWaalsContact O-CD 3.3Å; A414-P416 WeakPolarHBondContact O-CD 3.47Å; P416-G418 PolarHBondContact O-N 3.47Å
417	N	85.7	Confident	82.4	Confident	166 Å²	166	78.7 Å²	78.7	89%	0.888	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	2.9	178.7	-63.4	-16.2	0	0	0	113.2	E415	E415-N417 VanDerWaalsContact C-N 3.32Å; E415-N417 PolarHBondContact O-N 3Å
418	G	85.8	Confident	82.5	Confident	27 Å²	27	74 Å²	74	28%	0.278	40%	0.4	S	S	.	.			trans	85.2	170.2	-175.7	0	0	0	0	0	113.4	E415 P416 S512 V513	E415-G418 PolarHBondContact O-N 3.3Å; P416-G418 PolarHBondContact O-N 3.47Å; G418-S512 WeakPolarHBondContact CA-OG 3.39Å; G418-V513 CarbonylContact C-O 3.52Å; G418-V513 WeakPolarHBondContact CA-O 3.34Å
419	R	89.9	Confident	82.7	Confident	48 Å²	48	73.6 Å²	73.6	18%	0.181	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	157.5	-177.4	75.8	-176.9	177	-165.9	-22.1	111.7	E415 K432 V513 T514 M515	E415-R419 WeakPolarHBondContact OE2-CB 3.44Å; E415-R419 WeakPolarHBondContact OE2-CD 3.09Å; R419-K432 PolarHBondContact NH1-O 3.46Å; R419-K432 PolarHBondContact NH2-O 2.95Å; R419-V513 PolarHBondContact N-O 3.4Å; R419-V513 VanDerWaalsContact N-O 3.12Å; R419-T514 HydrophobicContact CG-CG2 3.77Å; R419-T514 PolarHBondContact NE-OG1 3.44Å; R419-T514 PolarHBondContact NH2-OG1 3.29Å; R419-T514 CarbonylContact O-C 3.53Å; R419-T514 WeakPolarHBondContact O-CA 3.46Å; R419-M515 PolarHBondContact O-N 3.36Å
420	V	88.5	Confident	83	Confident	73 Å²	73	73.1 Å²	73.1	44%	0.442	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	103.7	175.6	-178.3	0	0	0	0	108.9	M515 R517	V420-M515 CarbonylContact C-O 3.16Å; V420-M515 WeakPolarHBondContact CA-O 3.17Å; V420-M515 HydrophobicContact CG2-CB 4.25Å; V420-R517 HydrophobicContact CG1-CB 4.3Å; V420-R517 HydrophobicContact CG1-CG 3.87Å
421	Q	87.7	Confident	83.2	Confident	68 Å²	68	64.3 Å²	64.3	32%	0.318	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	115.5	176.1	-172.6	63.5	49.4	0	0	109.6	V423 I431 T514 M515 V516 R517	Q421-V423 HydrophobicContact CG-CG2 3.98Å; Q421-I431 HydrophobicContact CB-CD1 4.06Å; Q421-I431 HydrophobicContact CG-CD1 3.73Å; Q421-I431 HydrophobicContact CG-CG1 4.05Å; Q421-T514 HydrophobicContact CB-CG2 3.68Å; Q421-M515 PolarHBondContact N-O 3.09Å; Q421-V516 WeakPolarHBondContact O-CA 3.25Å; Q421-R517 PolarHBondContact O-N 3Å
422	R	86.8	Confident	83.2	Confident	178 Å²	178	64.9 Å²	64.9	67%	0.672	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.2	126.3	171.6	-65.7	-175.9	-174.4	-179.9	2.2	109.8	R517	R422-R517 CarbonylContact C-O 3.58Å; R422-R517 VanDerWaalsContact CA-O 3.26Å; R422-R517 WeakPolarHBondContact CA-O 3.47Å
423	V	83.4	Confident	83.3	Confident	5 Å²	5	64.9 Å²	64.9	3%	0.03	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	136.2	-179.7	-177.9	0	0	0	0	109.4	Q421 A429 L488 L491 V516 R517 F518 D519	Q421-V423 HydrophobicContact CG-CG2 3.98Å; V423-A429 HydrophobicContact CB-CB 4.36Å; V423-A429 HydrophobicContact CG1-CB 3.52Å; V423-A429 HydrophobicContact CG2-CB 3.93Å; V423-L488 HydrophobicContact CG2-CD1 4.19Å; V423-L491 HydrophobicContact CB-CD1 4.21Å; V423-L491 HydrophobicContact CG1-CD1 3.53Å; V423-V516 HydrophobicContact CB-CG1 4.35Å; V423-V516 HydrophobicContact CG2-CG1 3.93Å; V423-R517 PolarHBondContact N-O 3.31Å; V423-F518 CarbonylContact O-C 3.5Å; V423-F518 VanDerWaalsContact O-CA 3.31Å; V423-F518 WeakPolarHBondContact O-CA 3.37Å; V423-D519 PolarHBondContact O-N 2.65Å
424	R	79	Confident	83.2	Confident	163 Å²	163	65.8 Å²	65.8	62%	0.615	37%	0.365	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.5	133.8	174.9	-69	-178.4	-178.2	166.4	4.5	109.6	G426 V427 D519	R424-G426 PolarHBondContact O-N 2.84Å; R424-V427 HydrophobicContact CB-CB 4.23Å; R424-V427 HydrophobicContact CB-CG2 4.03Å; R424-V427 PolarHBondContact O-N 2.73Å; R424-D519 HydrophobicContact CG-CB 4.3Å
425	L	74	Confident	83.3	Confident	76 Å²	76	64.2 Å²	64.2	40%	0.398	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	130.4	177.8	-162	80.5	0	0	0	110.4	V427 F518	L425-V427 VanDerWaalsContact C-N 3.3Å; L425-V427 PolarHBondContact O-N 3Å; L425-F518 HydrophobicContact CD1-CD1 3.73Å; L425-F518 HydrophobicContact CD1-CE1 3.78Å; L425-F518 HydrophobicContact CD1-CG 4.21Å; L425-F518 HydrophobicContact CD1-CZ 4.31Å
426	G	70.3	Confident	83	Confident	57 Å²	57	63 Å²	63	59%	0.588	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	79	-0.7	178.1	0	0	0	0	0	116.3	R424	R424-G426 PolarHBondContact O-N 2.84Å
427	V	74.8	Confident	82.8	Confident	79 Å²	79	59.8 Å²	59.8	48%	0.479	32%	0.318	S	S	.	.	S	Bend	trans	-104.1	130.8	174.8	-177.2	0	0	0	0	108.7	R424 L425 A429	R424-V427 HydrophobicContact CB-CB 4.23Å; R424-V427 HydrophobicContact CB-CG2 4.03Å; R424-V427 PolarHBondContact O-N 2.73Å; L425-V427 VanDerWaalsContact C-N 3.3Å; L425-V427 PolarHBondContact O-N 3Å; V427-A429 PolarHBondContact O-N 2.82Å
428	P	77.4	Confident	82.3	Confident	56 Å²	56	56.1 Å²	56.1	36%	0.364	29%	0.292	S	S	.	.			trans	-62.5	135.5	176.5	26.1	-33.4	0	0	0	110.5	L488 V489	P428-L488 CarbonylContact C-O 3.5Å; P428-L488 WeakPolarHBondContact CA-O 3.39Å; P428-V489 HydrophobicContact CB-CG2 4.12Å
429	A	81.1	Confident	82	Confident	19 Å²	19	56.7 Å²	56.7	16%	0.157	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	149.8	178.1	0	0	0	0	0	110.8	V423 V427 L488	V423-A429 HydrophobicContact CB-CB 4.36Å; V423-A429 HydrophobicContact CG1-CB 3.52Å; V423-A429 HydrophobicContact CG2-CB 3.93Å; V427-A429 PolarHBondContact O-N 2.82Å; A429-L488 HydrophobicContact CB-CB 4.38Å; A429-L488 HydrophobicContact CB-CD1 4.37Å; A429-L488 PolarHBondContact N-O 2.85Å; A429-L488 WeakPolarHBondContact O-CB 3.49Å; A429-L488 PolarHBondContact O-N 3.2Å
430	Y	83	Confident	81.4	Confident	39 Å²	39	57.8 Å²	57.8	15%	0.153	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	132.8	-178.4	-55.9	-86.8	0	0	0	108.9	T295 I481 I486 Q487	T295-Y430 HydrophobicContact CG2-CD1 3.92Å; T295-Y430 HydrophobicContact CG2-CD2 3.9Å; T295-Y430 HydrophobicContact CG2-CE1 3.48Å; T295-Y430 VanDerWaalsContact CG2-CE1 3.48Å; T295-Y430 HydrophobicContact CG2-CE2 3.48Å; T295-Y430 VanDerWaalsContact CG2-CE2 3.48Å; T295-Y430 HydrophobicContact CG2-CG 4.11Å; Y430-I481 HydrophobicContact CD1-CD1 3.94Å; Y430-I481 HydrophobicContact CE1-CD1 4.45Å; Y430-I486 WeakPolarHBondContact CA-O 3.49Å; Y430-Q487 HydrophobicContact CD1-CB 3.82Å; Y430-Q487 HydrophobicContact CD1-CG 4.03Å; Y430-Q487 HydrophobicContact CE1-CB 3.72Å; Y430-Q487 HydrophobicContact CE1-CG 3.47Å; Y430-Q487 VanDerWaalsContact CE1-CG 3.47Å; Y430-Q487 PolarHBondContact OH-NE2 2.72Å
431	I	86.5	Confident	81.4	Confident	2 Å²	2	54.8 Å²	54.8	1%	0.01	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	106	-171.8	-64.5	-168.9	0	0	0	107.4	Q421 W445 A485 I486 L488 T514 V516	Q421-I431 HydrophobicContact CB-CD1 4.06Å; Q421-I431 HydrophobicContact CG-CD1 3.73Å; Q421-I431 HydrophobicContact CG-CG1 4.05Å; I431-W445 HydrophobicContact CG2-CH2 3.57Å; I431-W445 HydrophobicContact CG2-CZ2 4.2Å; I431-W445 HydrophobicContact CG2-CZ3 4.22Å; I431-W445 WeakPolarHBondContact O-CZ2 3.49Å; I431-A485 WeakPolarHBondContact O-CA 3.47Å; I431-I486 HydrophobicContact CB-CG2 3.71Å; I431-I486 HydrophobicContact CG2-CG2 4.14Å; I431-I486 PolarHBondContact N-O 2.74Å; I431-I486 PolarHBondContact O-N 3.02Å; I431-L488 HydrophobicContact CD1-CD1 3.43Å; I431-L488 VanDerWaalsContact CD1-CD1 3.43Å; I431-L488 HydrophobicContact CD1-CG 4.33Å; I431-L488 HydrophobicContact CG1-CD1 4.03Å; I431-T514 HydrophobicContact CD1-CG2 4.39Å; I431-T514 HydrophobicContact CG2-CG2 4.26Å; I431-V516 HydrophobicContact CD1-CG2 4.04Å
432	K	86.3	Confident	81.6	Confident	37 Å²	37	53.4 Å²	53.4	16%	0.161	29%	0.288	C	S	.	.			trans	-77.4	140	170.6	-76.6	-155.9	172.3	-170.5	0	110.3	Q320 N321 D344 R419 G434 A485	Q320-K432 VanDerWaalsContact CG-CE 3.47Å; Q320-K432 PolarHBondContact O-NZ 3.21Å; Q320-K432 VanDerWaalsContact O-NZ 3.07Å; N321-K432 PolarHBondContact OD1-NZ 3.05Å; D344-K432 VanDerWaalsContact CG-NZ 3.34Å; D344-K432 IonicContact OD1-NZ 3.88Å; D344-K432 PolarHBondContact OD1-NZ 2.99Å; D344-K432 IonicContact OD2-NZ 2.76Å; D344-K432 PolarHBondContact OD2-NZ 3.5Å; R419-K432 PolarHBondContact NH1-O 3.46Å; R419-K432 PolarHBondContact NH2-O 2.95Å; K432-G434 VanDerWaalsContact C-N 3.27Å; K432-G434 PolarHBondContact O-N 3.02Å; K432-A485 HydrophobicContact CG-CB 4.26Å
433	C	88.1	Confident	81.8	Confident	7 Å²	7	45 Å²	45	5%	0.047	26%	0.257	C	S	.	.			trans	-66.8	-30.8	177.5	-176.1	0	0	0	0	112.7	I413 E435 V443 W445 C501	I413-C433 VanDerWaalsContact CG2-O 3.29Å; I413-C433 WeakPolarHBondContact CG2-O 3.48Å; C433-E435 VanDerWaalsContact CB-OE2 3.27Å; C433-E435 WeakPolarHBondContact CB-OE2 3.38Å; C433-V443 HydrophobicContact CB-CG1 4.08Å; C433-W445 HydrophobicContact CB-CH2 4.41Å; C433-W445 HydrophobicContact CB-CZ2 3.9Å; C433-C501 HydrophobicContact CB-CB 3.84Å; C433-C501 WeakPolarHBondContact CB-SG 3.27Å; C433-C501 WeakPolarHBondContact SG-CB 3.39Å; C433-C501 CovalentContact SG-SG 2.01Å; C433-C501 PolarHBondContact SG-SG 3.4Å
434	G	84.6	Confident	82.3	Confident	25 Å²	25	46.4 Å²	46.4	26%	0.258	26%	0.264	S	S	.	.			trans	84.1	30.1	-178.6	0	0	0	0	0	111.5	I413 A414 K432	I413-G434 WeakPolarHBondContact CA-O 3.36Å; A414-G434 PolarHBondContact N-O 3.48Å; K432-G434 VanDerWaalsContact C-N 3.27Å; K432-G434 PolarHBondContact O-N 3.02Å
435	E	86.4	Confident	83	Confident	39 Å²	39	38.7 Å²	38.7	18%	0.182	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	142.6	-178.6	71.4	-75	-172.8	0	0	112.1	G412 C433 P441 V443 V503	G412-E435 WeakPolarHBondContact O-CA 3.39Å; C433-E435 VanDerWaalsContact CB-OE2 3.27Å; C433-E435 WeakPolarHBondContact CB-OE2 3.38Å; E435-P441 HydrophobicContact CB-CG 4.09Å; E435-P441 HydrophobicContact CG-CG 3.8Å; E435-V443 HydrophobicContact CG-CG2 4.15Å; E435-V503 HydrophobicContact CB-CB 4.33Å; E435-V503 HydrophobicContact CB-CG1 3.71Å; E435-V503 HydrophobicContact CB-CG2 4.32Å; E435-V503 HydrophobicContact CG-CG1 4.3Å
436	Y	81.4	Confident	83.8	Confident	76 Å²	76	35.7 Å²	35.7	30%	0.298	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	157.1	171.9	61.3	-95	0	0	0	109.7	P409 K410 I411 G412 I413	P409-Y436 HydrophobicContact CB-CD2 3.99Å; P409-Y436 HydrophobicContact CB-CE2 4.06Å; P409-Y436 HydrophobicContact CG-CD2 4.05Å; K410-Y436 VanDerWaalsContact O-CE2 3.25Å; K410-Y436 WeakPolarHBondContact O-CE2 3.15Å; I411-Y436 WeakPolarHBondContact CA-O 3.24Å; G412-Y436 VanDerWaalsContact C-CE1 3.46Å; G412-Y436 PolarHBondContact N-O 3.21Å; G412-Y436 PolarHBondContact O-N 3.01Å; I413-Y436 VanDerWaalsContact C-CE1 3.49Å
437	G	78.6	Confident	84.8	Confident	15 Å²	15	33.6 Å²	33.6	16%	0.155	20%	0.196	C	C	.	.			trans	134	158.8	-179.3	0	0	0	0	0	112.3
438	Y	75.6	Confident	85.4	Confident	90 Å²	90	32.1 Å²	32.1	35%	0.353	18%	0.183	S	C	.	.	S	Bend	trans	-122.2	137.9	177.9	179.6	-97.4	0	0	0	110.5	M348 I405 N505 F507	M348-Y438 HydrophobicContact CE-CE2 4.27Å; M348-Y438 HydrophobicContact CG-CD2 4.47Å; M348-Y438 HydrophobicContact CG-CE2 4.11Å; I405-Y438 HydrophobicContact CG2-CD1 4.04Å; I405-Y438 HydrophobicContact CG2-CE1 3.95Å; Y438-N505 PolarHBondContact O-ND2 3.16Å; Y438-F507 VanDerWaalsContact O-CD2 3.25Å; Y438-F507 WeakPolarHBondContact O-CD2 3.41Å; Y438-F507 WeakPolarHBondContact O-CE2 3.41Å
439	P	78.2	Confident	85.8	Confident	39 Å²	39	31 Å²	31	25%	0.253	18%	0.177	S	C	.	.	S	Bend	cis	-63.1	166.2	-10.5	29.6	-36.4	0	0	0	112	N505	P439-N505 HydrophobicContact CG-CB 4.4Å; P439-N505 PolarHBondContact O-ND2 3.43Å
440	A	78.8	Confident	85.7	Confident	70 Å²	70	37.4 Å²	37.4	58%	0.579	20%	0.201	S	C	*	.	P	Polyproline II helix	trans	-53.8	125.1	179.2	0	0	0	0	0	109.9	A464	A440-A464 WeakPolarHBondContact O-CB 3.22Å
441	P	87.5	Confident	85.4	Confident	11 Å²	11	37.7 Å²	37.7	7%	0.071	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-79.5	151.7	-171.6	31.9	-35.8	0	0	0	112.4	I411 E435 V503 R504 N505	I411-P441 HydrophobicContact CD1-CB 3.73Å; I411-P441 HydrophobicContact CD1-CG 4.47Å; E435-P441 HydrophobicContact CB-CG 4.09Å; E435-P441 HydrophobicContact CG-CG 3.8Å; P441-V503 HydrophobicContact CB-CB 4.08Å; P441-V503 HydrophobicContact CG-CB 4.23Å; P441-R504 CarbonylContact C-O 3.53Å; P441-R504 VanDerWaalsContact CA-O 3.26Å; P441-R504 WeakPolarHBondContact CA-O 3.47Å; P441-R504 VanDerWaalsContact CB-O 3.31Å; P441-R504 WeakPolarHBondContact CB-O 3.39Å; P441-N505 HydrophobicContact CB-CB 4.26Å
442	T	91	Very high	85	Confident	38 Å²	38	46.3 Å²	46.3	23%	0.233	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	136.3	164.7	61.2	0	0	0	0	108.9	W462 D463 A464 V503 R504	T442-W462 CarbonylContact C-O 3.36Å; T442-W462 WeakPolarHBondContact CA-O 3.18Å; T442-D463 WeakPolarHBondContact CG2-OD1 3.31Å; T442-A464 HydrophobicContact CG2-CB 4.31Å; T442-V503 VanDerWaalsContact O-CA 3.3Å; T442-V503 WeakPolarHBondContact O-CA 3.47Å; T442-R504 PolarHBondContact N-O 2.99Å; T442-R504 PolarHBondContact O-N 2.87Å; T442-R504 PolarHBondContact OG1-O 3.33Å; T442-R504 VanDerWaalsContact OG1-O 3.13Å
443	V	92.7	Very high	84.7	Confident	1 Å²	1	49.9 Å²	49.9	1%	0.006	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	113.9	-177.1	-175.4	0	0	0	0	109.8	C433 E435 A461 W462 G484 V503	C433-V443 HydrophobicContact CB-CG1 4.08Å; E435-V443 HydrophobicContact CG-CG2 4.15Å; V443-A461 CarbonylContact O-C 3.53Å; V443-A461 VanDerWaalsContact O-CA 3.22Å; V443-A461 WeakPolarHBondContact O-CA 3.5Å; V443-W462 HydrophobicContact CB-CB 4.39Å; V443-W462 PolarHBondContact N-O 3.18Å; V443-W462 PolarHBondContact O-N 3.12Å; V443-G484 WeakPolarHBondContact CG1-O 3.32Å; V443-V503 HydrophobicContact CB-CG1 4.36Å; V443-V503 HydrophobicContact CG1-CG1 4.15Å; V443-V503 HydrophobicContact CG2-CG1 3.92Å
444	L	93.4	Very high	84.5	Confident	36 Å²	36	52.7 Å²	52.7	19%	0.188	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	127.7	175.2	173.8	68.2	0	0	0	109.8	E446 P458 A461 Y472 C501 R502	L444-E446 HydrophobicContact CD2-CG 4.09Å; L444-E446 HydrophobicContact CG-CG 4.02Å; L444-P458 HydrophobicContact CD1-CB 4.16Å; L444-A461 HydrophobicContact CB-CB 4.41Å; L444-A461 HydrophobicContact CD1-CB 3.89Å; L444-Y472 HydrophobicContact CD1-CD2 4.42Å; L444-Y472 HydrophobicContact CD1-CE2 3.79Å; L444-C501 CarbonylContact O-C 3.57Å; L444-C501 WeakPolarHBondContact O-CA 3.34Å; L444-R502 HydrophobicContact CB-CB 4.43Å; L444-R502 PolarHBondContact N-O 3.36Å; L444-R502 PolarHBondContact O-N 3.42Å
445	W	92.9	Very high	84.8	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	130.4	171.8	-74.3	94.3	0	0	0	111	I431 C433 L459 C460 C480 G484 I486 L499 C501	I431-W445 HydrophobicContact CG2-CH2 3.57Å; I431-W445 HydrophobicContact CG2-CZ2 4.2Å; I431-W445 HydrophobicContact CG2-CZ3 4.22Å; I431-W445 WeakPolarHBondContact O-CZ2 3.49Å; C433-W445 HydrophobicContact CB-CH2 4.41Å; C433-W445 HydrophobicContact CB-CZ2 3.9Å; W445-L459 PolarHBondContact O-N 2.9Å; W445-C460 PolarHBondContact N-O 3.16Å; W445-C460 PolarHBondContact O-N 3.21Å; W445-C480 VanDerWaalsContact CD1-SG 3.55Å; W445-G484 PolarHBondContact NE1-O 3.06Å; W445-I486 HydrophobicContact CB-CD1 4.04Å; W445-I486 HydrophobicContact CD2-CB 3.89Å; W445-I486 HydrophobicContact CD2-CD1 4.35Å; W445-I486 HydrophobicContact CD2-CG2 3.74Å; W445-I486 HydrophobicContact CE3-CG2 3.95Å; W445-I486 HydrophobicContact CG-CB 3.97Å; W445-I486 HydrophobicContact CG-CD1 4.11Å; W445-I486 HydrophobicContact CG-CG2 4.34Å; W445-I486 HydrophobicContact CH2-CG2 4.05Å; W445-I486 HydrophobicContact CZ2-CB 4.44Å; W445-I486 HydrophobicContact CZ2-CG2 3.83Å; W445-I486 HydrophobicContact CZ3-CG2 4.09Å; W445-L499 HydrophobicContact CE3-CB 4.11Å; W445-L499 HydrophobicContact CZ3-CB 4.06Å; W445-C501 HydrophobicContact CD2-CB 4.2Å; W445-C501 HydrophobicContact CE3-CB 3.95Å; W445-C501 HydrophobicContact CH2-CB 3.76Å; W445-C501 HydrophobicContact CZ2-CB 4.03Å; W445-C501 HydrophobicContact CZ3-CB 3.73Å
446	E	92.2	Very high	84.9	Confident	14 Å²	14	54.1 Å²	54.1	7%	0.065	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	136.9	179.4	-60.8	163.4	115.5	0	0	109.6	L444 F456 E457 P458 L499 R500	L444-E446 HydrophobicContact CD2-CG 4.09Å; L444-E446 HydrophobicContact CG-CG 4.02Å; E446-F456 HydrophobicContact CB-CB 4.07Å; E446-F456 HydrophobicContact CB-CD1 4.35Å; E446-E457 CarbonylContact C-O 3.12Å; E446-E457 WeakPolarHBondContact CA-O 3.08Å; E446-E457 WeakPolarHBondContact CB-O 3.21Å; E446-P458 HydrophobicContact CG-CB 4.46Å; E446-L499 CarbonylContact O-C 3.05Å; E446-L499 WeakPolarHBondContact O-CA 3.16Å; E446-R500 HydrophobicContact CB-CB 4.37Å; E446-R500 PolarHBondContact N-O 2.62Å; E446-R500 PolarHBondContact O-N 3.02Å; E446-R500 IonicContact OE1-CZ 3.79Å; E446-R500 IonicContact OE1-NH2 3.93Å; E446-R500 PolarHBondContact OE1-NH2 3.36Å; E446-R500 IonicContact OE2-CZ 3.12Å; E446-R500 IonicContact OE2-NE 2.66Å; E446-R500 PolarHBondContact OE2-NE 3.22Å; E446-R500 IonicContact OE2-NH2 3.3Å; E446-R500 PolarHBondContact OE2-NH2 3.35Å
447	A	89.7	Confident	85.3	Confident	12 Å²	12	54.2 Å²	54.2	10%	0.099	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	142.4	174	0	0	0	0	0	110.6	S449 F456 E457 L459 V497 L499	A447-S449 PolarHBondContact O-N 3.42Å; A447-F456 WeakPolarHBondContact O-CA 3.3Å; A447-E457 PolarHBondContact N-O 3.34Å; A447-E457 PolarHBondContact O-N 3.32Å; A447-L459 HydrophobicContact CB-CD1 3.67Å; A447-L459 HydrophobicContact CB-CD2 3.98Å; A447-L459 HydrophobicContact CB-CG 3.82Å; A447-V497 HydrophobicContact CB-CG2 4.18Å; A447-L499 HydrophobicContact CB-CD2 3.86Å
448	F	88.6	Confident	85.9	Confident	48 Å²	48	55.7 Å²	55.7	21%	0.211	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	120.1	172.3	-162.6	-94.4	0	0	0	110.4	F450 A454 F456 P498	F448-F450 HydrophobicContact CD1-CD1 4.28Å; F448-F450 HydrophobicContact CD1-CD2 4.4Å; F448-F450 AromaticContact CD1-CE1 3.94Å; F448-F450 HydrophobicContact CD1-CE1 3.94Å; F448-F450 HydrophobicContact CD1-CE2 4.07Å; F448-F450 AromaticContact CD1-CZ 3.83Å; F448-F450 HydrophobicContact CD1-CZ 3.83Å; F448-F450 AromaticContact CE1-CD1 3.89Å; F448-F450 HydrophobicContact CE1-CD1 3.89Å; F448-F450 AromaticContact CE1-CE1 3.61Å; F448-F450 HydrophobicContact CE1-CE1 3.61Å; F448-F450 HydrophobicContact CE1-CG 4.48Å; F448-F450 AromaticContact CE1-CZ 3.97Å; F448-F450 HydrophobicContact CE1-CZ 3.97Å; F448-A454 HydrophobicContact CE1-CB 4.22Å; F448-A454 HydrophobicContact CZ-CB 3.98Å; F448-F456 HydrophobicContact CB-CD1 4.08Å; F448-F456 HydrophobicContact CB-CE1 3.82Å; F448-F456 HydrophobicContact CB-CZ 4.34Å; F448-F456 HydrophobicContact CD2-CD1 4.11Å; F448-F456 AromaticContact CD2-CD2 3.85Å; F448-F456 HydrophobicContact CD2-CD2 3.85Å; F448-F456 AromaticContact CD2-CE1 3.9Å; F448-F456 HydrophobicContact CD2-CE1 3.9Å; F448-F456 AromaticContact CD2-CE2 3.65Å; F448-F456 HydrophobicContact CD2-CE2 3.65Å; F448-F456 HydrophobicContact CD2-CG 4.08Å; F448-F456 AromaticContact CD2-CZ 3.68Å; F448-F456 HydrophobicContact CD2-CZ 3.68Å; F448-F456 HydrophobicContact CE2-CD2 4.35Å; F448-F456 HydrophobicContact CE2-CE2 4.14Å; F448-F456 HydrophobicContact CG-CE1 4.36Å; F448-F456 HydrophobicContact CG-CZ 4.45Å; F448-P498 HydrophobicContact CB-CB 4.1Å; F448-P498 HydrophobicContact CB-CG 4.03Å; F448-P498 WeakPolarHBondContact CB-O 3.25Å; F448-P498 HydrophobicContact CG-CG 4.42Å; F448-P498 PolarHBondContact N-O 3.4Å
449	S	85.3	Confident	86.5	Confident	33 Å²	33	52.1 Å²	52.1	23%	0.231	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	134.9	178.2	-179.2	0	0	0	0	109.9	A447 A454 A455 E457	A447-S449 PolarHBondContact O-N 3.42Å; S449-A454 WeakPolarHBondContact O-CA 3.37Å; S449-A455 PolarHBondContact N-O 2.89Å; S449-A455 PolarHBondContact O-N 2.86Å; S449-E457 WeakPolarHBondContact CB-OE1 3.46Å; S449-E457 PolarHBondContact OG-OE1 3.34Å
450	F	78.8	Confident	87.1	Confident	154 Å²	154	50.3 Å²	50.3	68%	0.675	30%	0.302	S	S	*	.			trans	-98.9	27.8	175.8	-65.9	-82.2	0	0	0	112.2	F448 V497	F448-F450 HydrophobicContact CD1-CD1 4.28Å; F448-F450 HydrophobicContact CD1-CD2 4.4Å; F448-F450 AromaticContact CD1-CE1 3.94Å; F448-F450 HydrophobicContact CD1-CE1 3.94Å; F448-F450 HydrophobicContact CD1-CE2 4.07Å; F448-F450 AromaticContact CD1-CZ 3.83Å; F448-F450 HydrophobicContact CD1-CZ 3.83Å; F448-F450 AromaticContact CE1-CD1 3.89Å; F448-F450 HydrophobicContact CE1-CD1 3.89Å; F448-F450 AromaticContact CE1-CE1 3.61Å; F448-F450 HydrophobicContact CE1-CE1 3.61Å; F448-F450 HydrophobicContact CE1-CG 4.48Å; F448-F450 AromaticContact CE1-CZ 3.97Å; F448-F450 HydrophobicContact CE1-CZ 3.97Å; F450-V497 HydrophobicContact CE2-CG1 4.24Å
451	G	77.3	Confident	87.7	Confident	45 Å²	45	47.5 Å²	47.5	46%	0.464	28%	0.278	S	S	.	.	S	Bend	trans	-68.2	-161.8	176.1	0	0	0	0	0	113.4	V453	G451-V453 PolarHBondContact O-N 2.85Å
452	D	77.3	Confident	87.8	Confident	182 Å²	182	48 Å²	48	97%	0.973	28%	0.279	S	S	*	.	S	Bend	trans	-53	-31.8	-178.7	-65	-29.9	0	0	0	113.1
453	V	80.4	Confident	87.8	Confident	113 Å²	113	48.3 Å²	48.3	69%	0.685	28%	0.279	S	S	*	.	S	Bend	trans	-123	116.3	170	-175.7	0	0	0	0	108.7	G451 A455	G451-V453 PolarHBondContact O-N 2.85Å; V453-A455 PolarHBondContact O-N 3.42Å; V453-A455 VanDerWaalsContact O-N 3.09Å
454	A	84.2	Confident	87.3	Confident	65 Å²	65	49.1 Å²	49.1	54%	0.537	29%	0.286	S	S	.	.			trans	-69.7	105	176.8	0	0	0	0	0	110.6	F448 S449	F448-A454 HydrophobicContact CE1-CB 4.22Å; F448-A454 HydrophobicContact CZ-CB 3.98Å; S449-A454 WeakPolarHBondContact O-CA 3.37Å
455	A	90.2	Very high	86.8	Confident	40 Å²	40	54.3 Å²	54.3	33%	0.331	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	162.9	-174.5	0	0	0	0	0	112.5	S449 V453	S449-A455 PolarHBondContact N-O 2.89Å; S449-A455 PolarHBondContact O-N 2.86Å; V453-A455 PolarHBondContact O-N 3.42Å; V453-A455 VanDerWaalsContact O-N 3.09Å
456	F	89.7	Confident	86.3	Confident	54 Å²	54	57 Å²	57	24%	0.237	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	121.2	168.5	-77	-78.6	0	0	0	109.6	E446 A447 F448 P498 R500 V513	E446-F456 HydrophobicContact CB-CB 4.07Å; E446-F456 HydrophobicContact CB-CD1 4.35Å; A447-F456 WeakPolarHBondContact O-CA 3.3Å; F448-F456 HydrophobicContact CB-CD1 4.08Å; F448-F456 HydrophobicContact CB-CE1 3.82Å; F448-F456 HydrophobicContact CB-CZ 4.34Å; F448-F456 HydrophobicContact CD2-CD1 4.11Å; F448-F456 AromaticContact CD2-CD2 3.85Å; F448-F456 HydrophobicContact CD2-CD2 3.85Å; F448-F456 AromaticContact CD2-CE1 3.9Å; F448-F456 HydrophobicContact CD2-CE1 3.9Å; F448-F456 AromaticContact CD2-CE2 3.65Å; F448-F456 HydrophobicContact CD2-CE2 3.65Å; F448-F456 HydrophobicContact CD2-CG 4.08Å; F448-F456 AromaticContact CD2-CZ 3.68Å; F448-F456 HydrophobicContact CD2-CZ 3.68Å; F448-F456 HydrophobicContact CE2-CD2 4.35Å; F448-F456 HydrophobicContact CE2-CE2 4.14Å; F448-F456 HydrophobicContact CG-CE1 4.36Å; F448-F456 HydrophobicContact CG-CZ 4.45Å; F456-P498 HydrophobicContact CE1-CB 4.34Å; F456-P498 HydrophobicContact CZ-CB 4.47Å; F456-R500 HydrophobicContact CD1-CB 3.58Å; F456-R500 HydrophobicContact CE1-CB 3.51Å; F456-R500 HydrophobicContact CG-CB 4.21Å; F456-R500 HydrophobicContact CZ-CB 4.07Å; F456-V513 HydrophobicContact CZ-CG1 4.43Å; F456-V513 HydrophobicContact CZ-CG2 4.26Å
457	E	88.8	Confident	85.8	Confident	78 Å²	78	60.2 Å²	60.2	36%	0.364	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	139.6	178	-67.7	179.7	-154.2	0	0	110.8	E446 A447 S449 L459	E446-E457 CarbonylContact C-O 3.12Å; E446-E457 WeakPolarHBondContact CA-O 3.08Å; E446-E457 WeakPolarHBondContact CB-O 3.21Å; A447-E457 PolarHBondContact N-O 3.34Å; A447-E457 PolarHBondContact O-N 3.32Å; S449-E457 WeakPolarHBondContact CB-OE1 3.46Å; S449-E457 PolarHBondContact OG-OE1 3.34Å; E457-L459 PolarHBondContact O-N 3.02Å
458	P	90.4	Very high	85.5	Confident	47 Å²	47	64.9 Å²	64.9	31%	0.305	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	127	180	29.7	-34.6	0	0	0	111.6	L444 E446 Y472	L444-P458 HydrophobicContact CD1-CB 4.16Å; E446-P458 HydrophobicContact CG-CB 4.46Å; P458-Y472 HydrophobicContact CB-CD2 3.86Å; P458-Y472 HydrophobicContact CB-CE2 4.37Å; P458-Y472 HydrophobicContact CB-CG 3.98Å; P458-Y472 HydrophobicContact CG-CG 4.26Å; P458-Y472 WeakPolarHBondContact O-CB 3.13Å
459	L	88.6	Confident	85.4	Confident	14 Å²	14	64.9 Å²	64.9	7%	0.073	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	-58.4	174.1	-68.8	176.7	0	0	0	110.4	W445 A447 E457 Y472 L478 I486 L499	W445-L459 PolarHBondContact O-N 2.9Å; A447-L459 HydrophobicContact CB-CD1 3.67Å; A447-L459 HydrophobicContact CB-CD2 3.98Å; A447-L459 HydrophobicContact CB-CG 3.82Å; E457-L459 PolarHBondContact O-N 3.02Å; L459-Y472 PolarHBondContact O-N 3.38Å; L459-L478 HydrophobicContact CD1-CB 4.27Å; L459-L478 HydrophobicContact CD1-CD1 4.5Å; L459-L478 HydrophobicContact CD1-CD2 4.15Å; L459-I486 HydrophobicContact CD1-CD1 3.96Å; L459-L499 HydrophobicContact CD1-CD2 4.07Å
460	C	91.3	Very high	85.5	Confident	1 Å²	1	66 Å²	66	1%	0.007	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.8	156.6	-174.1	56	0	0	0	0	110.8	W445 V470 C480	W445-C460 PolarHBondContact N-O 3.16Å; W445-C460 PolarHBondContact O-N 3.21Å; C460-V470 CarbonylContact C-O 3.58Å; C460-V470 WeakPolarHBondContact CA-O 3.05Å; C460-V470 WeakPolarHBondContact CB-O 3.47Å; C460-C480 HydrophobicContact CB-CB 3.64Å; C460-C480 WeakPolarHBondContact CB-SG 3.32Å; C460-C480 PolarHBondContact O-SG 3.34Å; C460-C480 VanDerWaalsContact O-SG 3.39Å; C460-C480 VanDerWaalsContact SG-CA 3.53Å; C460-C480 WeakPolarHBondContact SG-CB 3.5Å; C460-C480 PolarHBondContact SG-N 3.37Å; C460-C480 CovalentContact SG-SG 2.03Å; C460-C480 PolarHBondContact SG-SG 2.96Å
461	A	91.4	Very high	85.8	Confident	11 Å²	11	66 Å²	66	9%	0.091	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	144.2	174.1	0	0	0	0	0	111.1	V443 L444 V469 V470 Y472	V443-A461 CarbonylContact O-C 3.53Å; V443-A461 VanDerWaalsContact O-CA 3.22Å; V443-A461 WeakPolarHBondContact O-CA 3.5Å; L444-A461 HydrophobicContact CB-CB 4.41Å; L444-A461 HydrophobicContact CD1-CB 3.89Å; A461-V469 CarbonylContact O-C 3.52Å; A461-V469 WeakPolarHBondContact O-CA 3.42Å; A461-V470 HydrophobicContact CB-CB 4.45Å; A461-V470 PolarHBondContact N-O 3.07Å; A461-V470 PolarHBondContact O-N 3.24Å; A461-Y472 HydrophobicContact CB-CE2 3.92Å
462	W	90.6	Very high	86.1	Confident	23 Å²	23	69.5 Å²	69.5	9%	0.087	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	112.9	160.1	170.6	-110.3	0	0	0	108.1	V323 T442 V443 K467 V469 P482	V323-W462 HydrophobicContact CG1-CH2 3.83Å; V323-W462 HydrophobicContact CG1-CZ2 4.46Å; V323-W462 HydrophobicContact CG2-CH2 4.08Å; V323-W462 HydrophobicContact CG2-CZ2 4.32Å; T442-W462 CarbonylContact C-O 3.36Å; T442-W462 WeakPolarHBondContact CA-O 3.18Å; V443-W462 HydrophobicContact CB-CB 4.39Å; V443-W462 PolarHBondContact N-O 3.18Å; V443-W462 PolarHBondContact O-N 3.12Å; W462-K467 VanDerWaalsContact CH2-C 3.42Å; W462-K467 HydrophobicContact CH2-CB 4.02Å; W462-K467 WeakPolarHBondContact CH2-O 3.21Å; W462-K467 HydrophobicContact CZ2-CB 4.4Å; W462-K467 VanDerWaalsContact CZ3-C 3.46Å; W462-K467 WeakPolarHBondContact CZ3-O 3.46Å; W462-V469 HydrophobicContact CE3-CG2 3.81Å; W462-V469 HydrophobicContact CZ3-CG2 4.19Å; W462-P482 HydrophobicContact CE3-CB 4.34Å; W462-P482 HydrophobicContact CH2-CB 4Å; W462-P482 HydrophobicContact CZ3-CB 3.72Å; W462-P482 HydrophobicContact CZ3-CG 4.4Å
463	D	89.1	Confident	85.7	Confident	44 Å²	44	66 Å²	66	24%	0.235	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	111.3	173.5	179.1	19.1	0	0	0	109.4	T442 D465 S466 K467 L468	T442-D463 WeakPolarHBondContact CG2-OD1 3.31Å; D463-D465 VanDerWaalsContact C-N 3.27Å; D463-D465 PolarHBondContact O-N 3.03Å; D463-D465 PolarHBondContact OD1-N 2.99Å; D463-D465 VanDerWaalsContact OD1-N 3.16Å; D463-S466 WeakPolarHBondContact CB-OG 3.41Å; D463-S466 VanDerWaalsContact CG-OG 3.22Å; D463-S466 WeakPolarHBondContact OD2-CB 3.09Å; D463-S466 PolarHBondContact OD2-N 3.16Å; D463-S466 PolarHBondContact OD2-OG 3.48Å; D463-K467 VanDerWaalsContact O-CA 3.24Å; D463-K467 WeakPolarHBondContact O-CA 3.48Å; D463-K467 PolarHBondContact O-N 2.99Å; D463-L468 PolarHBondContact N-O 3.29Å; D463-L468 PolarHBondContact O-N 2.93Å
464	A	83.3	Confident	84.7	Confident	18 Å²	18	62.2 Å²	62.2	15%	0.149	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-29.8	-178.9	0	0	0	0	0	112.4	A440 T442	A440-A464 WeakPolarHBondContact O-CB 3.22Å; T442-A464 HydrophobicContact CG2-CB 4.31Å
465	D	82.1	Confident	83.8	Confident	145 Å²	145	63.1 Å²	63.1	78%	0.775	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-50.4	-176.8	-67.2	-28.6	0	0	0	110.9	D463 K467	D463-D465 VanDerWaalsContact C-N 3.27Å; D463-D465 PolarHBondContact O-N 3.03Å; D463-D465 PolarHBondContact OD1-N 2.99Å; D463-D465 VanDerWaalsContact OD1-N 3.16Å; D465-K467 VanDerWaalsContact C-N 3.31Å
466	S	83	Confident	82.8	Confident	55 Å²	55	68.2 Å²	68.2	39%	0.385	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-14.2	175.4	65.7	0	0	0	0	113.8	D463 L468	D463-S466 WeakPolarHBondContact CB-OG 3.41Å; D463-S466 VanDerWaalsContact CG-OG 3.22Å; D463-S466 WeakPolarHBondContact OD2-CB 3.09Å; D463-S466 PolarHBondContact OD2-N 3.16Å; D463-S466 PolarHBondContact OD2-OG 3.48Å; S466-L468 PolarHBondContact O-N 2.97Å
467	K	81	Confident	82.2	Confident	83 Å²	83	66.6 Å²	66.6	36%	0.361	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.3	34.2	-171.8	-57	-175.5	-178.6	-175.3	0	112.3	D349 W462 D463 D465	D349-K467 IonicContact OD1-NZ 3.89Å; D349-K467 IonicContact OD2-NZ 3.84Å; D349-K467 PolarHBondContact OD2-NZ 3.02Å; W462-K467 VanDerWaalsContact CH2-C 3.42Å; W462-K467 HydrophobicContact CH2-CB 4.02Å; W462-K467 WeakPolarHBondContact CH2-O 3.21Å; W462-K467 HydrophobicContact CZ2-CB 4.4Å; W462-K467 VanDerWaalsContact CZ3-C 3.46Å; W462-K467 WeakPolarHBondContact CZ3-O 3.46Å; D463-K467 VanDerWaalsContact O-CA 3.24Å; D463-K467 WeakPolarHBondContact O-CA 3.48Å; D463-K467 PolarHBondContact O-N 2.99Å; D465-K467 VanDerWaalsContact C-N 3.31Å
468	L	84.6	Confident	81.9	Confident	109 Å²	109	63.2 Å²	63.2	57%	0.571	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.6	152	-178.6	-64.6	173	0	0	0	112.1	D463 S466	D463-L468 PolarHBondContact N-O 3.29Å; D463-L468 PolarHBondContact O-N 2.93Å; S466-L468 PolarHBondContact O-N 2.97Å
469	V	86.5	Confident	81.5	Confident	48 Å²	48	61.7 Å²	61.7	29%	0.291	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	116.1	169.2	177	0	0	0	0	108.7	A461 W462 R471 C480 P482	A461-V469 CarbonylContact O-C 3.52Å; A461-V469 WeakPolarHBondContact O-CA 3.42Å; W462-V469 HydrophobicContact CE3-CG2 3.81Å; W462-V469 HydrophobicContact CZ3-CG2 4.19Å; V469-R471 HydrophobicContact CG1-CG 4.45Å; V469-C480 HydrophobicContact CG1-CB 3.77Å; V469-P482 HydrophobicContact CG2-CG 4.28Å
470	V	86.8	Confident	81.5	Confident	58 Å²	58	61.3 Å²	61.3	35%	0.352	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	130	172.6	-176.5	0	0	0	0	108.7	C460 A461 Y472	C460-V470 CarbonylContact C-O 3.58Å; C460-V470 WeakPolarHBondContact CA-O 3.05Å; C460-V470 WeakPolarHBondContact CB-O 3.47Å; A461-V470 HydrophobicContact CB-CB 4.45Å; A461-V470 PolarHBondContact N-O 3.07Å; A461-V470 PolarHBondContact O-N 3.24Å; V470-Y472 HydrophobicContact CG1-CE1 4.27Å; V470-Y472 HydrophobicContact CG1-CE2 4.15Å
471	R	85	Confident	81.3	Confident	152 Å²	152	61.4 Å²	61.4	57%	0.574	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.8	133.9	175.3	-65.7	-176.5	179	-164.4	-3.3	109.2	V469	V469-R471 HydrophobicContact CG1-CG 4.45Å
472	Y	83.3	Confident	80.8	Confident	120 Å²	120	61.4 Å²	61.4	47%	0.471	32%	0.319	S	S	.	.	S	Bend	trans	-103.2	-80.4	178.1	-61.2	-85	0	0	0	110	L444 P458 L459 A461 V470	L444-Y472 HydrophobicContact CD1-CD2 4.42Å; L444-Y472 HydrophobicContact CD1-CE2 3.79Å; P458-Y472 HydrophobicContact CB-CD2 3.86Å; P458-Y472 HydrophobicContact CB-CE2 4.37Å; P458-Y472 HydrophobicContact CB-CG 3.98Å; P458-Y472 HydrophobicContact CG-CG 4.26Å; P458-Y472 WeakPolarHBondContact O-CB 3.13Å; L459-Y472 PolarHBondContact O-N 3.38Å; A461-Y472 HydrophobicContact CB-CE2 3.92Å; V470-Y472 HydrophobicContact CG1-CE1 4.27Å; V470-Y472 HydrophobicContact CG1-CE2 4.15Å
473	N	70.3	Confident	80.3	Confident	109 Å²	109	61 Å²	61	58%	0.583	32%	0.322	S	S	*	.	S	Bend	trans	-117.2	29.6	-177.1	-74.6	-4.7	0	0	0	113.1	E475	N473-E475 PolarHBondContact O-N 3.16Å; N473-E475 VanDerWaalsContact O-N 3.1Å
474	G	59.5	Low	80.1	Confident	33 Å²	33	59 Å²	59	34%	0.34	31%	0.312	S	S	.	.			trans	-59	114.3	-167.9	0	0	0	0	0	113.8
475	E	65.1	Low	80.4	Confident	83 Å²	83	58.1 Å²	58.1	39%	0.388	30%	0.304	S	S	.	.			trans	-63.7	138.6	156.8	-58.7	-169	114.9	0	0	108.2	N473 H477 L478 K494	N473-E475 PolarHBondContact O-N 3.16Å; N473-E475 VanDerWaalsContact O-N 3.1Å; E475-H477 WeakPolarHBondContact CB-CE1 3.13Å; E475-H477 WeakPolarHBondContact CB-ND1 3.38Å; E475-H477 PolarHBondContact O-N 3.23Å; E475-H477 IonicContact OE1-CE1 2.73Å; E475-H477 IonicContact OE2-CE1 2.73Å; E475-H477 PolarHBondContact OE2-CE1 2.98Å; E475-H477 IonicContact OE2-NE2 2.79Å; E475-H477 PolarHBondContact OE2-NE2 2.86Å; E475-L478 PolarHBondContact O-N 3.46Å; E475-K494 IonicContact OE1-NZ 3.39Å; E475-K494 PolarHBondContact OE1-NZ 3.42Å; E475-K494 IonicContact OE2-NZ 3.59Å
476	D	68.2	Low	80.7	Confident	148 Å²	148	51.2 Å²	51.2	79%	0.791	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-20.6	-170.4	-77.3	-36.6	0	0	0	114.9
477	H	77.2	Confident	80.8	Confident	20 Å²	20	49.8 Å²	49.8	9%	0.093	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-16.3	177.9	51.6	-80.9	0	0	0	115.6	E475 L488 V489 D495	E475-H477 WeakPolarHBondContact CB-CE1 3.13Å; E475-H477 WeakPolarHBondContact CB-ND1 3.38Å; E475-H477 PolarHBondContact O-N 3.23Å; E475-H477 IonicContact OE1-CE1 2.73Å; E475-H477 IonicContact OE2-CE1 2.73Å; E475-H477 PolarHBondContact OE2-CE1 2.98Å; E475-H477 IonicContact OE2-NE2 2.79Å; E475-H477 PolarHBondContact OE2-NE2 2.86Å; H477-L488 CarbonylContact O-C 3.16Å; H477-L488 WeakPolarHBondContact O-CA 3.37Å; H477-V489 WeakPolarHBondContact CA-O 3.33Å; H477-V489 WeakPolarHBondContact CB-O 3.49Å; H477-V489 PolarHBondContact O-N 3.42Å; H477-D495 VanDerWaalsContact CD2-CG 3.41Å; H477-D495 IonicContact CD2-OD1 2.92Å; H477-D495 IonicContact CD2-OD2 3.7Å; H477-D495 PolarHBondContact CD2-OD2 3.32Å; H477-D495 IonicContact CE1-OD1 3.4Å; H477-D495 IonicContact CE1-OD2 2.74Å; H477-D495 IonicContact NE2-OD1 2.75Å; H477-D495 PolarHBondContact NE2-OD1 3.47Å; H477-D495 IonicContact NE2-OD2 3.35Å; H477-D495 PolarHBondContact NE2-OD2 2.83Å; H477-D495 VanDerWaalsContact NE2-OD2 3.12Å
478	L	82.2	Confident	81	Confident	7 Å²	7	45.9 Å²	45.9	4%	0.037	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	95.8	-175.7	-81	151.2	0	0	0	109.2	L459 E475 I486 L488 L499	L459-L478 HydrophobicContact CD1-CB 4.27Å; L459-L478 HydrophobicContact CD1-CD1 4.5Å; L459-L478 HydrophobicContact CD1-CD2 4.15Å; E475-L478 PolarHBondContact O-N 3.46Å; L478-I486 HydrophobicContact CD2-CD1 3.93Å; L478-L488 HydrophobicContact CD2-CD2 3.19Å; L478-L488 HydrophobicContact CG-CD2 4.25Å; L478-L499 HydrophobicContact CD2-CD1 4.47Å; L478-L499 HydrophobicContact CD2-CD2 4.43Å
479	T	83.4	Confident	80.7	Confident	14 Å²	14	43.4 Å²	43.4	9%	0.086	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	140	-175.7	61.7	0	0	0	0	112.2	Q487	T479-Q487 PolarHBondContact N-O 3.33Å; T479-Q487 WeakPolarHBondContact O-CA 3.49Å; T479-Q487 WeakPolarHBondContact O-CB 3.39Å; T479-Q487 PolarHBondContact O-N 2.74Å
480	C	88.1	Confident	80.1	Confident	6 Å²	6	44.2 Å²	44.2	4%	0.041	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	142.5	172.5	-69.7	0	0	0	0	109.4	W445 C460 V469	W445-C480 VanDerWaalsContact CD1-SG 3.55Å; C460-C480 HydrophobicContact CB-CB 3.64Å; C460-C480 WeakPolarHBondContact CB-SG 3.32Å; C460-C480 PolarHBondContact O-SG 3.34Å; C460-C480 VanDerWaalsContact O-SG 3.39Å; C460-C480 VanDerWaalsContact SG-CA 3.53Å; C460-C480 WeakPolarHBondContact SG-CB 3.5Å; C460-C480 PolarHBondContact SG-N 3.37Å; C460-C480 CovalentContact SG-SG 2.03Å; C460-C480 PolarHBondContact SG-SG 2.96Å; V469-C480 HydrophobicContact CG1-CB 3.77Å
481	I	86	Confident	79.4	Confident	3 Å²	3	41.9 Å²	41.9	2%	0.015	22%	0.224	C	C	.	.			trans	-108.5	156.1	173	55.5	166.2	0	0	0	110.3	Y296 Y430 G483 G484 A485 Q487	Y296-I481 HydrophobicContact CD1-CB 3.94Å; Y296-I481 HydrophobicContact CD1-CD1 4.18Å; Y296-I481 HydrophobicContact CD1-CG2 4.33Å; Y296-I481 HydrophobicContact CE1-CB 3.94Å; Y296-I481 HydrophobicContact CE1-CG2 3.94Å; Y430-I481 HydrophobicContact CD1-CD1 3.94Å; Y430-I481 HydrophobicContact CE1-CD1 4.45Å; I481-G483 PolarHBondContact O-N 3.19Å; I481-G484 PolarHBondContact O-N 2.95Å; I481-A485 HydrophobicContact CD1-CB 3.87Å; I481-A485 HydrophobicContact CG1-CB 3.76Å; I481-A485 WeakPolarHBondContact CG1-O 3.35Å; I481-A485 PolarHBondContact N-O 3.43Å; I481-Q487 HydrophobicContact CG2-CB 3.83Å
482	P	82.4	Confident	78.9	Confident	12 Å²	12	40.6 Å²	40.6	8%	0.078	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	134.6	176.8	-25.5	35.2	0	0	0	112.4	Y296 N321 V323 W462 V469	Y296-P482 HydrophobicContact CD2-CB 4.08Å; Y296-P482 HydrophobicContact CD2-CG 3.84Å; Y296-P482 HydrophobicContact CE1-CG 4.49Å; Y296-P482 HydrophobicContact CE2-CB 4.38Å; Y296-P482 HydrophobicContact CE2-CG 3.64Å; Y296-P482 HydrophobicContact CG-CB 4.42Å; Y296-P482 HydrophobicContact CG-CG 4.36Å; N321-P482 PolarHBondContact ND2-O 2.95Å; V323-P482 HydrophobicContact CB-CB 4.3Å; V323-P482 HydrophobicContact CG2-CB 3.5Å; W462-P482 HydrophobicContact CE3-CB 4.34Å; W462-P482 HydrophobicContact CH2-CB 4Å; W462-P482 HydrophobicContact CZ3-CB 3.72Å; W462-P482 HydrophobicContact CZ3-CG 4.4Å; V469-P482 HydrophobicContact CG2-CG 4.28Å
483	G	79.2	Confident	78.3	Confident	15 Å²	15	40.7 Å²	40.7	16%	0.155	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.7	19.6	-172	0	0	0	0	0	115.4	N321 I481 A485	N321-G483 VanDerWaalsContact ND2-C 3.32Å; N321-G483 VanDerWaalsContact ND2-CA 3.34Å; N321-G483 WeakPolarHBondContact ND2-CA 3.47Å; N321-G483 PolarHBondContact ND2-O 2.79Å; I481-G483 PolarHBondContact O-N 3.19Å; G483-A485 PolarHBondContact O-N 2.77Å
484	G	85.9	Confident	78.3	Confident	1 Å²	1	41.3 Å²	41.3	1%	0.01	23%	0.228	C	C	.	.	S	Bend	trans	88.7	-5.9	160.5	0	0	0	0	0	117.3	V443 W445 I481	V443-G484 WeakPolarHBondContact CG1-O 3.32Å; W445-G484 PolarHBondContact NE1-O 3.06Å; I481-G484 PolarHBondContact O-N 2.95Å
485	A	88.1	Confident	78.9	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-76.5	152.6	174.1	0	0	0	0	0	111.8	I431 K432 I481 G483	I431-A485 WeakPolarHBondContact O-CA 3.47Å; K432-A485 HydrophobicContact CG-CB 4.26Å; I481-A485 HydrophobicContact CD1-CB 3.87Å; I481-A485 HydrophobicContact CG1-CB 3.76Å; I481-A485 WeakPolarHBondContact CG1-O 3.35Å; I481-A485 PolarHBondContact N-O 3.43Å; G483-A485 PolarHBondContact O-N 2.77Å
486	I	88.5	Confident	79.3	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	131.1	170.8	-169.2	170.5	0	0	0	110.4	Y430 I431 W445 L459 L478 L488 L499	Y430-I486 WeakPolarHBondContact CA-O 3.49Å; I431-I486 HydrophobicContact CB-CG2 3.71Å; I431-I486 HydrophobicContact CG2-CG2 4.14Å; I431-I486 PolarHBondContact N-O 2.74Å; I431-I486 PolarHBondContact O-N 3.02Å; W445-I486 HydrophobicContact CB-CD1 4.04Å; W445-I486 HydrophobicContact CD2-CB 3.89Å; W445-I486 HydrophobicContact CD2-CD1 4.35Å; W445-I486 HydrophobicContact CD2-CG2 3.74Å; W445-I486 HydrophobicContact CE3-CG2 3.95Å; W445-I486 HydrophobicContact CG-CB 3.97Å; W445-I486 HydrophobicContact CG-CD1 4.11Å; W445-I486 HydrophobicContact CG-CG2 4.34Å; W445-I486 HydrophobicContact CH2-CG2 4.05Å; W445-I486 HydrophobicContact CZ2-CB 4.44Å; W445-I486 HydrophobicContact CZ2-CG2 3.83Å; W445-I486 HydrophobicContact CZ3-CG2 4.09Å; L459-I486 HydrophobicContact CD1-CD1 3.96Å; L478-I486 HydrophobicContact CD2-CD1 3.93Å; I486-L488 HydrophobicContact CD1-CD2 4.5Å; I486-L488 HydrophobicContact CG1-CD2 4.37Å; I486-L499 HydrophobicContact CD1-CD1 4.47Å; I486-L499 HydrophobicContact CG2-CD1 4.5Å
487	Q	86	Confident	80	Confident	25 Å²	25	31.9 Å²	31.9	12%	0.117	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	126.3	174	172.7	175.4	42.2	0	0	109.5	Y430 T479 I481 V489	Y430-Q487 HydrophobicContact CD1-CB 3.82Å; Y430-Q487 HydrophobicContact CD1-CG 4.03Å; Y430-Q487 HydrophobicContact CE1-CB 3.72Å; Y430-Q487 HydrophobicContact CE1-CG 3.47Å; Y430-Q487 VanDerWaalsContact CE1-CG 3.47Å; Y430-Q487 PolarHBondContact OH-NE2 2.72Å; T479-Q487 PolarHBondContact N-O 3.33Å; T479-Q487 WeakPolarHBondContact O-CA 3.49Å; T479-Q487 WeakPolarHBondContact O-CB 3.39Å; T479-Q487 PolarHBondContact O-N 2.74Å; I481-Q487 HydrophobicContact CG2-CB 3.83Å; Q487-V489 HydrophobicContact CG-CG2 3.55Å
488	L	84.3	Confident	80.6	Confident	1 Å²	1	32 Å²	32	1%	0.005	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	109.7	177.3	-53.3	-177.9	0	0	0	108.8	V423 P428 A429 I431 H477 L478 I486 L491 L499 V516	V423-L488 HydrophobicContact CG2-CD1 4.19Å; P428-L488 CarbonylContact C-O 3.5Å; P428-L488 WeakPolarHBondContact CA-O 3.39Å; A429-L488 HydrophobicContact CB-CB 4.38Å; A429-L488 HydrophobicContact CB-CD1 4.37Å; A429-L488 PolarHBondContact N-O 2.85Å; A429-L488 WeakPolarHBondContact O-CB 3.49Å; A429-L488 PolarHBondContact O-N 3.2Å; I431-L488 HydrophobicContact CD1-CD1 3.43Å; I431-L488 VanDerWaalsContact CD1-CD1 3.43Å; I431-L488 HydrophobicContact CD1-CG 4.33Å; I431-L488 HydrophobicContact CG1-CD1 4.03Å; H477-L488 CarbonylContact O-C 3.16Å; H477-L488 WeakPolarHBondContact O-CA 3.37Å; L478-L488 HydrophobicContact CD2-CD2 3.19Å; L478-L488 HydrophobicContact CG-CD2 4.25Å; I486-L488 HydrophobicContact CD1-CD2 4.5Å; I486-L488 HydrophobicContact CG1-CD2 4.37Å; L488-L491 HydrophobicContact CB-CD1 3.85Å; L488-L491 HydrophobicContact CB-CD2 3.97Å; L488-L491 HydrophobicContact CB-CG 3.96Å; L488-L491 HydrophobicContact CD1-CD1 4.01Å; L488-L491 HydrophobicContact CD2-CD2 4.31Å; L488-L499 HydrophobicContact CD2-CD1 4.21Å; L488-V516 HydrophobicContact CD1-CG1 4.45Å; L488-V516 HydrophobicContact CD1-CG2 4.45Å
489	V	79.3	Confident	81.1	Confident	56 Å²	56	31.7 Å²	31.7	34%	0.339	18%	0.183	S	C	.	.			trans	-122	131.7	-176.4	172.4	0	0	0	0	109.6	P428 H477 Q487 L491	P428-V489 HydrophobicContact CB-CG2 4.12Å; H477-V489 WeakPolarHBondContact CA-O 3.33Å; H477-V489 WeakPolarHBondContact CB-O 3.49Å; H477-V489 PolarHBondContact O-N 3.42Å; Q487-V489 HydrophobicContact CG-CG2 3.55Å; V489-L491 VanDerWaalsContact C-N 3.3Å; V489-L491 PolarHBondContact O-N 2.98Å
490	A	73.5	Confident	81.5	Confident	65 Å²	65	33.3 Å²	33.3	54%	0.537	19%	0.187	S	C	.	.	S	Bend	trans	56.4	39.5	176.9	0	0	0	0	0	114.7	K492	A490-K492 PolarHBondContact O-N 3.24Å
491	L	73.1	Confident	81.8	Confident	10 Å²	10	33 Å²	33	5%	0.052	19%	0.185	C	C	.	.			trans	-52.5	128.4	177.2	-68.6	168.3	0	0	0	112.3	V423 L488 V489 D495 F518	V423-L491 HydrophobicContact CB-CD1 4.21Å; V423-L491 HydrophobicContact CG1-CD1 3.53Å; L488-L491 HydrophobicContact CB-CD1 3.85Å; L488-L491 HydrophobicContact CB-CD2 3.97Å; L488-L491 HydrophobicContact CB-CG 3.96Å; L488-L491 HydrophobicContact CD1-CD1 4.01Å; L488-L491 HydrophobicContact CD2-CD2 4.31Å; V489-L491 VanDerWaalsContact C-N 3.3Å; V489-L491 PolarHBondContact O-N 2.98Å; L491-D495 WeakPolarHBondContact CA-OD2 3.3Å; L491-D495 HydrophobicContact CD2-CB 3.68Å; L491-F518 HydrophobicContact CB-CE1 3.69Å; L491-F518 HydrophobicContact CB-CZ 4Å; L491-F518 HydrophobicContact CD1-CE1 3.86Å; L491-F518 HydrophobicContact CD1-CZ 4.49Å; L491-F518 HydrophobicContact CG-CE1 4.39Å
492	K	74.1	Confident	82.2	Confident	124 Å²	124	38 Å²	38	54%	0.539	20%	0.204	S	C	.	.			trans	-91.2	163.2	169	-62.4	173	-177.9	170.4	0	109.7	A490 K494 D495 F518	A490-K492 PolarHBondContact O-N 3.24Å; K492-K494 HydrophobicContact CB-CG 4.01Å; K492-K494 PolarHBondContact O-N 3.46Å; K492-D495 WeakPolarHBondContact CA-OD2 3.39Å; K492-D495 WeakPolarHBondContact CB-OD2 3.13Å; K492-D495 PolarHBondContact N-OD2 2.87Å; K492-D495 WeakPolarHBondContact O-CB 3.43Å; K492-D495 PolarHBondContact O-N 2.83Å; K492-F518 WeakPolarHBondContact O-CZ 3.43Å
493	L	69.4	Low	82.7	Confident	123 Å²	123	37.4 Å²	37.4	64%	0.644	20%	0.2	S	C	*	.	G	3₁₀ helix	trans	-57.7	-33.7	179.6	-146.8	83.2	0	0	0	112.8	D495 G496 F518 F520	L493-D495 PolarHBondContact O-N 3.49Å; L493-G496 PolarHBondContact O-N 3.37Å; L493-F518 HydrophobicContact CD1-CD2 4.44Å; L493-F520 HydrophobicContact CD1-CE1 4.26Å; L493-F520 HydrophobicContact CD1-CZ 3.92Å
494	K	70.4	Confident	83.3	Confident	122 Å²	122	44.9 Å²	44.9	53%	0.53	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-66.3	-19.3	176.7	65.2	162.2	-163.4	155.4	0	113.8	E475 K492 G496	E475-K494 IonicContact OE1-NZ 3.39Å; E475-K494 PolarHBondContact OE1-NZ 3.42Å; E475-K494 IonicContact OE2-NZ 3.59Å; K492-K494 HydrophobicContact CB-CG 4.01Å; K492-K494 PolarHBondContact O-N 3.46Å; K494-G496 VanDerWaalsContact C-N 3.25Å; K494-G496 PolarHBondContact O-N 3.04Å
495	D	71.8	Confident	83.4	Confident	8 Å²	8	45.8 Å²	45.8	4%	0.043	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-85.5	0.1	-176.4	-51.9	-31.7	0	0	0	112.3	H477 L491 K492 L493 V497	H477-D495 VanDerWaalsContact CD2-CG 3.41Å; H477-D495 IonicContact CD2-OD1 2.92Å; H477-D495 IonicContact CD2-OD2 3.7Å; H477-D495 PolarHBondContact CD2-OD2 3.32Å; H477-D495 IonicContact CE1-OD1 3.4Å; H477-D495 IonicContact CE1-OD2 2.74Å; H477-D495 IonicContact NE2-OD1 2.75Å; H477-D495 PolarHBondContact NE2-OD1 3.47Å; H477-D495 IonicContact NE2-OD2 3.35Å; H477-D495 PolarHBondContact NE2-OD2 2.83Å; H477-D495 VanDerWaalsContact NE2-OD2 3.12Å; L491-D495 WeakPolarHBondContact CA-OD2 3.3Å; L491-D495 HydrophobicContact CD2-CB 3.68Å; K492-D495 WeakPolarHBondContact CA-OD2 3.39Å; K492-D495 WeakPolarHBondContact CB-OD2 3.13Å; K492-D495 PolarHBondContact N-OD2 2.87Å; K492-D495 WeakPolarHBondContact O-CB 3.43Å; K492-D495 PolarHBondContact O-N 2.83Å; L493-D495 PolarHBondContact O-N 3.49Å; D495-V497 PolarHBondContact O-N 3.46Å
496	G	74.8	Confident	83.2	Confident	34 Å²	34	53.3 Å²	53.3	35%	0.351	27%	0.268	S	S	.	.			trans	-73.7	48.4	173.8	0	0	0	0	0	113	L493 K494	L493-G496 PolarHBondContact O-N 3.37Å; K494-G496 VanDerWaalsContact C-N 3.25Å; K494-G496 PolarHBondContact O-N 3.04Å
497	V	82.9	Confident	83.1	Confident	23 Å²	23	60.7 Å²	60.7	14%	0.139	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-98.6	155.2	-178.3	-65.5	0	0	0	0	111.7	A447 F450 D495 L499	A447-V497 HydrophobicContact CB-CG2 4.18Å; F450-V497 HydrophobicContact CE2-CG1 4.24Å; D495-V497 PolarHBondContact O-N 3.46Å; V497-L499 HydrophobicContact CG2-CD2 4.42Å; V497-L499 PolarHBondContact O-N 3.05Å
498	P	89.9	Confident	83.2	Confident	22 Å²	22	61 Å²	61	14%	0.143	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.4	126	168.4	-16.1	23.7	0	0	0	111.2	F448 F456 V513 M515	F448-P498 HydrophobicContact CB-CB 4.1Å; F448-P498 HydrophobicContact CB-CG 4.03Å; F448-P498 WeakPolarHBondContact CB-O 3.25Å; F448-P498 HydrophobicContact CG-CG 4.42Å; F448-P498 PolarHBondContact N-O 3.4Å; F456-P498 HydrophobicContact CE1-CB 4.34Å; F456-P498 HydrophobicContact CZ-CB 4.47Å; P498-V513 HydrophobicContact CB-CG1 3.92Å; P498-M515 HydrophobicContact CB-CE 3.94Å; P498-M515 HydrophobicContact CB-SD 3.73Å; P498-M515 HydrophobicContact CG-CE 3.84Å; P498-M515 HydrophobicContact CG-SD 3.65Å
499	L	91.2	Very high	83.6	Confident	2 Å²	2	65.1 Å²	65.1	1%	0.01	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	118.6	173.2	-64.4	179.1	0	0	0	109.5	W445 E446 A447 L459 L478 I486 L488 V497 V513 T514 V516	W445-L499 HydrophobicContact CE3-CB 4.11Å; W445-L499 HydrophobicContact CZ3-CB 4.06Å; E446-L499 CarbonylContact O-C 3.05Å; E446-L499 WeakPolarHBondContact O-CA 3.16Å; A447-L499 HydrophobicContact CB-CD2 3.86Å; L459-L499 HydrophobicContact CD1-CD2 4.07Å; L478-L499 HydrophobicContact CD2-CD1 4.47Å; L478-L499 HydrophobicContact CD2-CD2 4.43Å; I486-L499 HydrophobicContact CD1-CD1 4.47Å; I486-L499 HydrophobicContact CG2-CD1 4.5Å; L488-L499 HydrophobicContact CD2-CD1 4.21Å; V497-L499 HydrophobicContact CG2-CD2 4.42Å; V497-L499 PolarHBondContact O-N 3.05Å; L499-V513 CarbonylContact O-C 3.57Å; L499-V513 WeakPolarHBondContact O-CA 3.24Å; L499-T514 PolarHBondContact N-O 3.06Å; L499-T514 PolarHBondContact O-N 3.23Å; L499-V516 HydrophobicContact CD1-CG2 3.71Å; L499-V516 HydrophobicContact CG-CG2 4.1Å
500	R	93.1	Very high	84.3	Confident	47 Å²	47	63.5 Å²	63.5	18%	0.177	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	123.2	172.5	-176	172.9	76.2	-169.1	0.1	109	E446 F456 S512 V513	E446-R500 HydrophobicContact CB-CB 4.37Å; E446-R500 PolarHBondContact N-O 2.62Å; E446-R500 PolarHBondContact O-N 3.02Å; E446-R500 IonicContact OE1-CZ 3.79Å; E446-R500 IonicContact OE1-NH2 3.93Å; E446-R500 PolarHBondContact OE1-NH2 3.36Å; E446-R500 IonicContact OE2-CZ 3.12Å; E446-R500 IonicContact OE2-NE 2.66Å; E446-R500 PolarHBondContact OE2-NE 3.22Å; E446-R500 IonicContact OE2-NH2 3.3Å; E446-R500 PolarHBondContact OE2-NH2 3.35Å; F456-R500 HydrophobicContact CD1-CB 3.58Å; F456-R500 HydrophobicContact CE1-CB 3.51Å; F456-R500 HydrophobicContact CG-CB 4.21Å; F456-R500 HydrophobicContact CZ-CB 4.07Å; R500-S512 WeakPolarHBondContact CA-O 3.34Å; R500-V513 HydrophobicContact CB-CG2 4.18Å; R500-V513 HydrophobicContact CG-CG2 4.13Å
501	C	94.3	Very high	85.3	Confident	1 Å²	1	63.3 Å²	63.3	1%	0.007	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	129.8	163.7	169.6	0	0	0	0	108.8	C433 L444 W445 S511 S512	C433-C501 HydrophobicContact CB-CB 3.84Å; C433-C501 WeakPolarHBondContact CB-SG 3.27Å; C433-C501 WeakPolarHBondContact SG-CB 3.39Å; C433-C501 CovalentContact SG-SG 2.01Å; C433-C501 PolarHBondContact SG-SG 3.4Å; L444-C501 CarbonylContact O-C 3.57Å; L444-C501 WeakPolarHBondContact O-CA 3.34Å; W445-C501 HydrophobicContact CD2-CB 4.2Å; W445-C501 HydrophobicContact CE3-CB 3.95Å; W445-C501 HydrophobicContact CH2-CB 3.76Å; W445-C501 HydrophobicContact CZ2-CB 4.03Å; W445-C501 HydrophobicContact CZ3-CB 3.73Å; C501-S511 CarbonylContact O-C 3.55Å; C501-S511 WeakPolarHBondContact O-CA 3.18Å; C501-S511 WeakPolarHBondContact O-CB 3.38Å; C501-S512 PolarHBondContact N-O 3.28Å; C501-S512 PolarHBondContact O-N 3.18Å
502	R	93.4	Very high	86.3	Confident	107 Å²	107	63.2 Å²	63.2	40%	0.404	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	124	170.9	-177.9	178.3	-73.5	-172	-5.2	108.8	L444	L444-R502 HydrophobicContact CB-CB 4.43Å; L444-R502 PolarHBondContact N-O 3.36Å; L444-R502 PolarHBondContact O-N 3.42Å
503	V	92.8	Very high	87.2	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	141.6	176.8	-60.1	0	0	0	0	110.7	I411 I413 E435 P441 T442 V443 S509 A510	I411-V503 HydrophobicContact CD1-CB 4.41Å; I411-V503 HydrophobicContact CD1-CG2 4.01Å; I411-V503 HydrophobicContact CG1-CG2 4.13Å; I413-V503 HydrophobicContact CD1-CG2 4Å; I413-V503 HydrophobicContact CG1-CG2 3.82Å; E435-V503 HydrophobicContact CB-CB 4.33Å; E435-V503 HydrophobicContact CB-CG1 3.71Å; E435-V503 HydrophobicContact CB-CG2 4.32Å; E435-V503 HydrophobicContact CG-CG1 4.3Å; P441-V503 HydrophobicContact CB-CB 4.08Å; P441-V503 HydrophobicContact CG-CB 4.23Å; T442-V503 VanDerWaalsContact O-CA 3.3Å; T442-V503 WeakPolarHBondContact O-CA 3.47Å; V443-V503 HydrophobicContact CB-CG1 4.36Å; V443-V503 HydrophobicContact CG1-CG1 4.15Å; V443-V503 HydrophobicContact CG2-CG1 3.92Å; V503-S509 CarbonylContact O-C 3.55Å; V503-S509 WeakPolarHBondContact O-CA 3.12Å; V503-S509 WeakPolarHBondContact O-CB 3.45Å; V503-A510 HydrophobicContact CG2-CB 3.83Å; V503-A510 PolarHBondContact N-O 3.18Å; V503-A510 PolarHBondContact O-N 3.21Å
504	R	92.1	Very high	88.3	Confident	172 Å²	172	53.7 Å²	53.7	65%	0.649	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-141.9	140.4	-177.7	-178.8	178.3	176.7	151.6	-0.1	110.8	P441 T442	P441-R504 CarbonylContact C-O 3.53Å; P441-R504 VanDerWaalsContact CA-O 3.26Å; P441-R504 WeakPolarHBondContact CA-O 3.47Å; P441-R504 VanDerWaalsContact CB-O 3.31Å; P441-R504 WeakPolarHBondContact CB-O 3.39Å; T442-R504 PolarHBondContact N-O 2.99Å; T442-R504 PolarHBondContact O-N 2.87Å; T442-R504 PolarHBondContact OG1-O 3.33Å; T442-R504 VanDerWaalsContact OG1-O 3.13Å
505	N	87.7	Confident	89.2	Confident	19 Å²	19	51.9 Å²	51.9	10%	0.102	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	-172.2	163.8	70.4	5.3	0	0	0	109.5	I411 Y438 P439 P441 F507 G508	I411-N505 HydrophobicContact CD1-CB 4.13Å; Y438-N505 PolarHBondContact O-ND2 3.16Å; P439-N505 HydrophobicContact CG-CB 4.4Å; P439-N505 PolarHBondContact O-ND2 3.43Å; P441-N505 HydrophobicContact CB-CB 4.26Å; N505-F507 PolarHBondContact O-N 2.95Å; N505-F507 PolarHBondContact OD1-N 3.23Å; N505-G508 PolarHBondContact N-O 2.04Å; N505-G508 PolarHBondContact O-N 2.94Å; N505-G508 VanDerWaalsContact O-O 3.12Å; N505-G508 PolarHBondContact OD1-N 3.39Å; N505-G508 VanDerWaalsContact OD1-N 3.17Å
506	L	84.4	Confident	89.9	Confident	159 Å²	159	51.9 Å²	51.9	83%	0.832	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-23	179.3	-67.7	167.5	0	0	0	113.8
507	F	85.7	Confident	90.4	Very high	154 Å²	154	57.2 Å²	57.2	68%	0.675	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.2	-5.5	-173.1	-59.3	-66.8	0	0	0	114	Y438 N505	Y438-F507 VanDerWaalsContact O-CD2 3.25Å; Y438-F507 WeakPolarHBondContact O-CD2 3.41Å; Y438-F507 WeakPolarHBondContact O-CE2 3.41Å; N505-F507 PolarHBondContact O-N 2.95Å; N505-F507 PolarHBondContact OD1-N 3.23Å
508	G	89.7	Confident	90.4	Very high	32 Å²	32	57.5 Å²	57.5	33%	0.33	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	158.5	-164.8	175.8	0	0	0	0	0	114	N505	N505-G508 PolarHBondContact N-O 2.04Å; N505-G508 PolarHBondContact O-N 2.94Å; N505-G508 VanDerWaalsContact O-O 3.12Å; N505-G508 PolarHBondContact OD1-N 3.39Å; N505-G508 VanDerWaalsContact OD1-N 3.17Å
509	S	92.7	Very high	90	Very high	87 Å²	87	58.3 Å²	58.3	61%	0.608	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-144.1	145.8	176.9	61.2	0	0	0	0	111	V503	V503-S509 CarbonylContact O-C 3.55Å; V503-S509 WeakPolarHBondContact O-CA 3.12Å; V503-S509 WeakPolarHBondContact O-CB 3.45Å
510	A	92.8	Very high	89.2	Confident	22 Å²	22	62.9 Å²	62.9	18%	0.182	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	157.2	171.6	0	0	0	0	0	109.7	I413 V503	I413-A510 HydrophobicContact CD1-CB 4.21Å; I413-A510 HydrophobicContact CG1-CB 4.13Å; V503-A510 HydrophobicContact CG2-CB 3.83Å; V503-A510 PolarHBondContact N-O 3.18Å; V503-A510 PolarHBondContact O-N 3.21Å
511	S	94.2	Very high	88.5	Confident	62 Å²	62	64.5 Å²	64.5	43%	0.434	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	147.6	175.8	61.1	0	0	0	0	111.5	I413 C501	I413-S511 VanDerWaalsContact CD1-C 3.48Å; C501-S511 CarbonylContact O-C 3.55Å; C501-S511 WeakPolarHBondContact O-CA 3.18Å; C501-S511 WeakPolarHBondContact O-CB 3.38Å
512	S	94.2	Very high	87.3	Confident	7 Å²	7	68.1 Å²	68.1	5%	0.049	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	148.5	176	178.5	0	0	0	0	110.2	E415 G418 R500 C501	E415-S512 WeakPolarHBondContact O-CB 3.19Å; E415-S512 PolarHBondContact O-OG 3.46Å; G418-S512 WeakPolarHBondContact CA-OG 3.39Å; R500-S512 WeakPolarHBondContact CA-O 3.34Å; C501-S512 PolarHBondContact N-O 3.28Å; C501-S512 PolarHBondContact O-N 3.18Å
513	V	93.4	Very high	86.1	Confident	44 Å²	44	70.3 Å²	70.3	27%	0.267	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	120.6	179.9	-178.5	0	0	0	0	109.8	G418 R419 F456 P498 L499 R500 M515	G418-V513 CarbonylContact C-O 3.52Å; G418-V513 WeakPolarHBondContact CA-O 3.34Å; R419-V513 PolarHBondContact N-O 3.4Å; R419-V513 VanDerWaalsContact N-O 3.12Å; F456-V513 HydrophobicContact CZ-CG1 4.43Å; F456-V513 HydrophobicContact CZ-CG2 4.26Å; P498-V513 HydrophobicContact CB-CG1 3.92Å; L499-V513 CarbonylContact O-C 3.57Å; L499-V513 WeakPolarHBondContact O-CA 3.24Å; R500-V513 HydrophobicContact CB-CG2 4.18Å; R500-V513 HydrophobicContact CG-CG2 4.13Å; V513-M515 HydrophobicContact CG1-CE 4.43Å
514	T	91.9	Very high	85.1	Confident	4 Å²	4	73.7 Å²	73.7	3%	0.025	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	118.4	172.2	-61.4	0	0	0	0	110.1	R419 Q421 I431 L499	R419-T514 HydrophobicContact CG-CG2 3.77Å; R419-T514 PolarHBondContact NE-OG1 3.44Å; R419-T514 PolarHBondContact NH2-OG1 3.29Å; R419-T514 CarbonylContact O-C 3.53Å; R419-T514 WeakPolarHBondContact O-CA 3.46Å; Q421-T514 HydrophobicContact CB-CG2 3.68Å; I431-T514 HydrophobicContact CD1-CG2 4.39Å; I431-T514 HydrophobicContact CG2-CG2 4.26Å; L499-T514 PolarHBondContact N-O 3.06Å; L499-T514 PolarHBondContact O-N 3.23Å
515	M	89.6	Confident	84.2	Confident	83 Å²	83	73.4 Å²	73.4	41%	0.409	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	110.2	172.1	-70.1	-69	-178.7	0	0	109.9	R419 V420 Q421 P498 V513	R419-M515 PolarHBondContact O-N 3.36Å; V420-M515 CarbonylContact C-O 3.16Å; V420-M515 WeakPolarHBondContact CA-O 3.17Å; V420-M515 HydrophobicContact CG2-CB 4.25Å; Q421-M515 PolarHBondContact N-O 3.09Å; P498-M515 HydrophobicContact CB-CE 3.94Å; P498-M515 HydrophobicContact CB-SD 3.73Å; P498-M515 HydrophobicContact CG-CE 3.84Å; P498-M515 HydrophobicContact CG-SD 3.65Å; V513-M515 HydrophobicContact CG1-CE 4.43Å
516	V	87.4	Confident	83.4	Confident	9 Å²	9	77.1 Å²	77.1	6%	0.055	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	117.4	175.5	-177.8	0	0	0	0	109.3	Q421 V423 I431 L488 L499	Q421-V516 WeakPolarHBondContact O-CA 3.25Å; V423-V516 HydrophobicContact CB-CG1 4.35Å; V423-V516 HydrophobicContact CG2-CG1 3.93Å; I431-V516 HydrophobicContact CD1-CG2 4.04Å; L488-V516 HydrophobicContact CD1-CG1 4.45Å; L488-V516 HydrophobicContact CD1-CG2 4.45Å; L499-V516 HydrophobicContact CD1-CG2 3.71Å; L499-V516 HydrophobicContact CG-CG2 4.1Å
517	R	85.8	Confident	83	Confident	146 Å²	146	76.1 Å²	76.1	55%	0.551	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.9	135.7	176.2	-70.7	-168.9	179.9	160.3	-0.7	110.9	V420 Q421 R422 V423	V420-R517 HydrophobicContact CG1-CB 4.3Å; V420-R517 HydrophobicContact CG1-CG 3.87Å; Q421-R517 PolarHBondContact O-N 3Å; R422-R517 CarbonylContact C-O 3.58Å; R422-R517 VanDerWaalsContact CA-O 3.26Å; R422-R517 WeakPolarHBondContact CA-O 3.47Å; V423-R517 PolarHBondContact N-O 3.31Å
518	F	82.6	Confident	82.8	Confident	28 Å²	28	73.2 Å²	73.2	12%	0.123	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	126.7	175.7	-65.9	-65.4	0	0	0	111.7	V423 L425 L491 K492 L493 F520	V423-F518 CarbonylContact O-C 3.5Å; V423-F518 VanDerWaalsContact O-CA 3.31Å; V423-F518 WeakPolarHBondContact O-CA 3.37Å; L425-F518 HydrophobicContact CD1-CD1 3.73Å; L425-F518 HydrophobicContact CD1-CE1 3.78Å; L425-F518 HydrophobicContact CD1-CG 4.21Å; L425-F518 HydrophobicContact CD1-CZ 4.31Å; L491-F518 HydrophobicContact CB-CE1 3.69Å; L491-F518 HydrophobicContact CB-CZ 4Å; L491-F518 HydrophobicContact CD1-CE1 3.86Å; L491-F518 HydrophobicContact CD1-CZ 4.49Å; L491-F518 HydrophobicContact CG-CE1 4.39Å; K492-F518 WeakPolarHBondContact O-CZ 3.43Å; L493-F518 HydrophobicContact CD1-CD2 4.44Å; F518-F520 HydrophobicContact CB-CD2 4.34Å; F518-F520 HydrophobicContact CB-CE1 4.26Å; F518-F520 HydrophobicContact CB-CE2 3.65Å; F518-F520 HydrophobicContact CB-CZ 3.59Å; F518-F520 HydrophobicContact CG-CZ 4.41Å; F518-F520 WeakPolarHBondContact O-CD2 3.37Å; F518-F520 PolarHBondContact O-N 2.87Å
519	D	80.5	Confident	82.4	Confident	40 Å²	40	78.8 Å²	78.8	21%	0.214	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	103.3	171.7	-178.3	12.5	0	0	0	110.3	V423 R424 S521	V423-D519 PolarHBondContact O-N 2.65Å; R424-D519 HydrophobicContact CG-CB 4.3Å; D519-S521 VanDerWaalsContact C-N 3.29Å; D519-S521 PolarHBondContact O-N 3.04Å; D519-S521 WeakPolarHBondContact OD1-CB 3.49Å; D519-S521 PolarHBondContact OD1-N 2.62Å; D519-S521 PolarHBondContact OD1-OG 3.37Å
520	F	75.7	Confident	81.9	Confident	98 Å²	98	78.1 Å²	78.1	43%	0.43	39%	0.39	S	S	.	.			trans	-86.5	10.2	176.8	-60.7	-78.6	0	0	0	113.6	L493 F518 C522 W523	L493-F520 HydrophobicContact CD1-CE1 4.26Å; L493-F520 HydrophobicContact CD1-CZ 3.92Å; F518-F520 HydrophobicContact CB-CD2 4.34Å; F518-F520 HydrophobicContact CB-CE1 4.26Å; F518-F520 HydrophobicContact CB-CE2 3.65Å; F518-F520 HydrophobicContact CB-CZ 3.59Å; F518-F520 HydrophobicContact CG-CZ 4.41Å; F518-F520 WeakPolarHBondContact O-CD2 3.37Å; F518-F520 PolarHBondContact O-N 2.87Å; F520-C522 PolarHBondContact O-N 3.05Å; F520-W523 WeakPolarHBondContact O-CB 3.3Å; F520-W523 PolarHBondContact O-N 2.94Å
521	S	77	Confident	81.6	Confident	80 Å²	80	81.1 Å²	81.1	56%	0.559	41%	0.406	S	S	*	.	H	α-helix	trans	-55.1	-29.7	-179.3	-61.6	0	0	0	0	113	D519 S524	D519-S521 VanDerWaalsContact C-N 3.29Å; D519-S521 PolarHBondContact O-N 3.04Å; D519-S521 WeakPolarHBondContact OD1-CB 3.49Å; D519-S521 PolarHBondContact OD1-N 2.62Å; D519-S521 PolarHBondContact OD1-OG 3.37Å; S521-S524 PolarHBondContact O-N 3.33Å
522	C	69	Low	81.3	Confident	78 Å²	78	82.6 Å²	82.6	53%	0.527	41%	0.408	S	S	.	.	H	α-helix	trans	-65.4	-36.7	175.6	-169.7	0	0	0	0	112.9	F520 S524 R525 I526	F520-C522 PolarHBondContact O-N 3.05Å; C522-S524 VanDerWaalsContact C-N 3.32Å; C522-S524 PolarHBondContact O-N 3.35Å; C522-R525 WeakPolarHBondContact O-CB 3.46Å; C522-R525 PolarHBondContact O-N 2.94Å; C522-R525 VanDerWaalsContact O-N 3.11Å; C522-I526 WeakPolarHBondContact O-CG1 3.36Å; C522-I526 PolarHBondContact O-N 3.26Å
523	W	68.5	Low	81.1	Confident	152 Å²	152	85.3 Å²	85.3	58%	0.576	43%	0.427	S	S	*	.	H	α-helix	trans	-63.5	-36.7	179.2	-89	39.6	0	0	0	112.8	F520 R525 I526 K527	F520-W523 WeakPolarHBondContact O-CB 3.3Å; F520-W523 PolarHBondContact O-N 2.94Å; W523-R525 VanDerWaalsContact C-N 3.26Å; W523-R525 PolarHBondContact O-N 2.83Å; W523-I526 PolarHBondContact O-N 3.25Å; W523-K527 PolarHBondContact O-N 2.84Å
524	S	71.3	Confident	80.9	Confident	72 Å²	72	85.4 Å²	85.4	50%	0.503	43%	0.433	S	S	.	.	H	α-helix	trans	-57.6	-43.7	174	179.3	0	0	0	0	110.8	S521 C522 K527 I528	S521-S524 PolarHBondContact O-N 3.33Å; C522-S524 VanDerWaalsContact C-N 3.32Å; C522-S524 PolarHBondContact O-N 3.35Å; S524-K527 PolarHBondContact O-N 2.86Å; S524-I528 WeakPolarHBondContact O-CD1 3.43Å; S524-I528 VanDerWaalsContact O-CG1 3.3Å; S524-I528 WeakPolarHBondContact O-CG1 3.42Å; S524-I528 PolarHBondContact O-N 3.17Å; S524-I528 VanDerWaalsContact O-N 3.14Å
525	R	73.9	Confident	80.9	Confident	166 Å²	166	90.6 Å²	90.6	63%	0.626	46%	0.459	S	S	*	.	H	α-helix	trans	-66.1	-41	178.1	-156.5	-174.8	-69.1	-132.6	-0.7	112.4	C522 W523 I528 Y529	C522-R525 WeakPolarHBondContact O-CB 3.46Å; C522-R525 PolarHBondContact O-N 2.94Å; C522-R525 VanDerWaalsContact O-N 3.11Å; W523-R525 VanDerWaalsContact C-N 3.26Å; W523-R525 PolarHBondContact O-N 2.83Å; R525-I528 PolarHBondContact O-N 3.15Å; R525-Y529 HydrophobicContact CG-CD2 4.03Å; R525-Y529 HydrophobicContact CG-CE2 3.57Å; R525-Y529 WeakPolarHBondContact O-CD2 3.44Å; R525-Y529 PolarHBondContact O-N 2.95Å; R525-Y529 VanDerWaalsContact O-N 3.09Å
526	I	70.5	Confident	81.1	Confident	97 Å²	97	89.6 Å²	89.6	50%	0.497	46%	0.464	S	S	.	.	H	α-helix	trans	-63.2	-44.2	177	-65.1	168	0	0	0	111.1	C522 W523 I528 Y529 S530	C522-I526 WeakPolarHBondContact O-CG1 3.36Å; C522-I526 PolarHBondContact O-N 3.26Å; W523-I526 PolarHBondContact O-N 3.25Å; I526-I528 VanDerWaalsContact C-N 3.34Å; I526-I528 PolarHBondContact O-N 3.39Å; I526-Y529 PolarHBondContact O-N 3.29Å; I526-S530 WeakPolarHBondContact O-CB 3.35Å; I526-S530 PolarHBondContact O-N 3.44Å
527	K	77.3	Confident	81.4	Confident	138 Å²	138	93.2 Å²	93.2	60%	0.6	49%	0.487	S	S	*	.	H	α-helix	trans	-60.5	-42.9	176.8	-75.8	-173	177	-176.2	0	111.9	W523 S524 S530 V531	W523-K527 PolarHBondContact O-N 2.84Å; S524-K527 PolarHBondContact O-N 2.86Å; K527-S530 PolarHBondContact O-N 3.29Å; K527-V531 VanDerWaalsContact O-CG2 3.26Å; K527-V531 WeakPolarHBondContact O-CG2 3.4Å; K527-V531 PolarHBondContact O-N 3.39Å
528	I	80.3	Confident	81.7	Confident	93 Å²	93	92.8 Å²	92.8	48%	0.477	49%	0.492	S	S	.	.	H	α-helix	trans	-60.9	-48.9	177.4	-66.6	163.6	0	0	0	110.8	S524 R525 I526 S530 V531 I532	S524-I528 WeakPolarHBondContact O-CD1 3.43Å; S524-I528 VanDerWaalsContact O-CG1 3.3Å; S524-I528 WeakPolarHBondContact O-CG1 3.42Å; S524-I528 PolarHBondContact O-N 3.17Å; S524-I528 VanDerWaalsContact O-N 3.14Å; R525-I528 PolarHBondContact O-N 3.15Å; I526-I528 VanDerWaalsContact C-N 3.34Å; I526-I528 PolarHBondContact O-N 3.39Å; I528-S530 PolarHBondContact O-N 3.39Å; I528-V531 PolarHBondContact O-N 3.03Å; I528-I532 HydrophobicContact CG2-CD1 3.72Å; I528-I532 HydrophobicContact CG2-CG1 4.45Å; I528-I532 VanDerWaalsContact O-CG1 3.28Å; I528-I532 WeakPolarHBondContact O-CG1 3.4Å; I528-I532 PolarHBondContact O-N 3.15Å
529	Y	80.7	Confident	82.3	Confident	148 Å²	148	97.4 Å²	97.4	58%	0.58	51%	0.513	S	S	*	.	H	α-helix	trans	-65.6	-37.4	178.4	-73.4	-58.6	0	0	0	113.2	R525 I526 V531 I532 S533	R525-Y529 HydrophobicContact CG-CD2 4.03Å; R525-Y529 HydrophobicContact CG-CE2 3.57Å; R525-Y529 WeakPolarHBondContact O-CD2 3.44Å; R525-Y529 PolarHBondContact O-N 2.95Å; R525-Y529 VanDerWaalsContact O-N 3.09Å; I526-Y529 PolarHBondContact O-N 3.29Å; Y529-V531 VanDerWaalsContact C-N 3.35Å; Y529-I532 PolarHBondContact O-N 3.48Å; Y529-S533 WeakPolarHBondContact O-CB 3.49Å; Y529-S533 PolarHBondContact O-N 3.39Å
530	S	83.4	Confident	82.9	Confident	73 Å²	73	97 Å²	97	51%	0.51	52%	0.519	S	S	.	.	H	α-helix	trans	-61.6	-44.3	175.4	-169.2	0	0	0	0	111.2	I526 K527 I528 S533 A534	I526-S530 WeakPolarHBondContact O-CB 3.35Å; I526-S530 PolarHBondContact O-N 3.44Å; K527-S530 PolarHBondContact O-N 3.29Å; I528-S530 PolarHBondContact O-N 3.39Å; S530-S533 PolarHBondContact O-N 2.87Å; S530-S533 PolarHBondContact O-OG 3.44Å; S530-A534 PolarHBondContact O-N 3.07Å
531	V	86.5	Confident	83.8	Confident	86 Å²	86	98 Å²	98	52%	0.521	53%	0.527	S	S	.	.	H	α-helix	trans	-64.4	-44	176.4	172.4	0	0	0	0	111.1	K527 I528 Y529 S533 A534 I535	K527-V531 VanDerWaalsContact O-CG2 3.26Å; K527-V531 WeakPolarHBondContact O-CG2 3.4Å; K527-V531 PolarHBondContact O-N 3.39Å; I528-V531 PolarHBondContact O-N 3.03Å; Y529-V531 VanDerWaalsContact C-N 3.35Å; V531-S533 VanDerWaalsContact C-N 3.34Å; V531-S533 PolarHBondContact O-N 2.96Å; V531-A534 PolarHBondContact O-N 3.37Å; V531-I535 HydrophobicContact CG1-CD1 3.88Å; V531-I535 WeakPolarHBondContact O-CG1 3.23Å; V531-I535 PolarHBondContact O-N 3.29Å
532	I	87.8	Confident	84.6	Confident	92 Å²	92	99.8 Å²	99.8	47%	0.472	53%	0.525	S	S	.	.	H	α-helix	trans	-61.4	-43.2	175.8	-67.8	166.9	0	0	0	110.8	I528 Y529 A534 I535 A536	I528-I532 HydrophobicContact CG2-CD1 3.72Å; I528-I532 HydrophobicContact CG2-CG1 4.45Å; I528-I532 VanDerWaalsContact O-CG1 3.28Å; I528-I532 WeakPolarHBondContact O-CG1 3.4Å; I528-I532 PolarHBondContact O-N 3.15Å; Y529-I532 PolarHBondContact O-N 3.48Å; I532-A534 VanDerWaalsContact C-N 3.33Å; I532-A534 PolarHBondContact O-N 3.41Å; I532-I535 PolarHBondContact O-N 3Å; I532-A536 WeakPolarHBondContact O-CB 3.3Å; I532-A536 PolarHBondContact O-N 3.49Å
533	S	88.9	Confident	85.8	Confident	64 Å²	64	100.3 Å²	100.3	45%	0.448	52%	0.522	S	S	.	.	H	α-helix	trans	-62.7	-41.2	177.3	84.2	0	0	0	0	111.4	Y529 S530 V531 A536 T537	Y529-S533 WeakPolarHBondContact O-CB 3.49Å; Y529-S533 PolarHBondContact O-N 3.39Å; S530-S533 PolarHBondContact O-N 2.87Å; S530-S533 PolarHBondContact O-OG 3.44Å; V531-S533 VanDerWaalsContact C-N 3.34Å; V531-S533 PolarHBondContact O-N 2.96Å; S533-A536 PolarHBondContact O-N 3.3Å; S533-T537 VanDerWaalsContact O-CG2 3.3Å; S533-T537 WeakPolarHBondContact O-CG2 3.25Å; S533-T537 PolarHBondContact O-N 3.43Å; S533-T537 PolarHBondContact O-OG1 3.34Å
534	A	89.4	Confident	87	Confident	47 Å²	47	97.7 Å²	97.7	39%	0.388	52%	0.523	S	S	.	.	H	α-helix	trans	-62.4	-47	176.7	0	0	0	0	0	110.9	S530 V531 I532 A536 T537 M538	S530-A534 PolarHBondContact O-N 3.07Å; V531-A534 PolarHBondContact O-N 3.37Å; I532-A534 VanDerWaalsContact C-N 3.33Å; I532-A534 PolarHBondContact O-N 3.41Å; A534-A536 PolarHBondContact O-N 3.29Å; A534-T537 WeakPolarHBondContact CA-OG1 3.46Å; A534-T537 PolarHBondContact O-N 3.03Å; A534-T537 PolarHBondContact O-OG1 3.27Å; A534-M538 WeakPolarHBondContact O-CB 3.42Å; A534-M538 VanDerWaalsContact O-CG 3.28Å; A534-M538 WeakPolarHBondContact O-CG 3.34Å; A534-M538 PolarHBondContact O-N 3.26Å
535	I	92.8	Very high	88	Confident	112 Å²	112	98.5 Å²	98.5	57%	0.574	52%	0.522	S	S	*	.	H	α-helix	trans	-61.3	-43.6	176.4	-66.2	167.1	0	0	0	111.1	V531 I532 M538 F539	V531-I535 HydrophobicContact CG1-CD1 3.88Å; V531-I535 WeakPolarHBondContact O-CG1 3.23Å; V531-I535 PolarHBondContact O-N 3.29Å; I532-I535 PolarHBondContact O-N 3Å; I535-M538 PolarHBondContact O-N 2.86Å; I535-F539 WeakPolarHBondContact O-CB 3.39Å; I535-F539 PolarHBondContact O-N 3.3Å
536	A	93.4	Very high	88.9	Confident	62 Å²	62	93.6 Å²	93.6	51%	0.512	51%	0.507	S	S	.	.	H	α-helix	trans	-63.5	-42	177.9	0	0	0	0	0	112.1	I532 S533 A534 F539 G540	I532-A536 WeakPolarHBondContact O-CB 3.3Å; I532-A536 PolarHBondContact O-N 3.49Å; S533-A536 PolarHBondContact O-N 3.3Å; A534-A536 PolarHBondContact O-N 3.29Å; A536-F539 PolarHBondContact O-N 2.81Å; A536-G540 PolarHBondContact O-N 3.19Å
537	T	93.5	Very high	89.9	Confident	86 Å²	86	91.1 Å²	91.1	53%	0.528	50%	0.502	S	S	.	.	H	α-helix	trans	-64.9	-42.2	175.3	57.1	0	0	0	0	112.2	S533 A534 F539 G540 L541	S533-T537 VanDerWaalsContact O-CG2 3.3Å; S533-T537 WeakPolarHBondContact O-CG2 3.25Å; S533-T537 PolarHBondContact O-N 3.43Å; S533-T537 PolarHBondContact O-OG1 3.34Å; A534-T537 WeakPolarHBondContact CA-OG1 3.46Å; A534-T537 PolarHBondContact O-N 3.03Å; A534-T537 PolarHBondContact O-OG1 3.27Å; T537-F539 PolarHBondContact O-N 3.43Å; T537-G540 PolarHBondContact O-N 2.92Å; T537-L541 WeakPolarHBondContact O-CG 3.44Å; T537-L541 PolarHBondContact O-N 3.27Å
538	M	93.2	Very high	90.6	Very high	136 Å²	136	91.1 Å²	91.1	67%	0.67	50%	0.499	S	S	*	.	H	α-helix	trans	-61.4	-44.2	175.6	-72.6	-71.7	-76	0	0	111.8	A534 I535 L541 F542	A534-M538 WeakPolarHBondContact O-CB 3.42Å; A534-M538 VanDerWaalsContact O-CG 3.28Å; A534-M538 WeakPolarHBondContact O-CG 3.34Å; A534-M538 PolarHBondContact O-N 3.26Å; I535-M538 PolarHBondContact O-N 2.86Å; M538-L541 PolarHBondContact O-N 2.69Å; M538-F542 WeakPolarHBondContact O-CB 3.4Å; M538-F542 PolarHBondContact O-N 2.95Å
539	F	94.6	Very high	91.1	Very high	125 Å²	125	90.4 Å²	90.4	55%	0.548	50%	0.495	S	S	.	.	H	α-helix	trans	-67.8	-39.9	177.3	-168.8	-103.7	0	0	0	112.2	I535 A536 T537 F542 L543	I535-F539 WeakPolarHBondContact O-CB 3.39Å; I535-F539 PolarHBondContact O-N 3.3Å; A536-F539 PolarHBondContact O-N 2.81Å; T537-F539 PolarHBondContact O-N 3.43Å; F539-F542 WeakPolarHBondContact O-CB 3.38Å; F539-F542 PolarHBondContact O-N 2.78Å; F539-L543 HydrophobicContact CD1-CD1 3.96Å; F539-L543 HydrophobicContact CD1-CG 4.26Å; F539-L543 HydrophobicContact CE1-CD1 3.64Å; F539-L543 HydrophobicContact CE1-CD2 4.34Å; F539-L543 HydrophobicContact CE1-CG 3.99Å; F539-L543 HydrophobicContact CZ-CD1 4.42Å; F539-L543 HydrophobicContact CZ-CD2 4.33Å; F539-L543 HydrophobicContact CZ-CG 4.4Å; F539-L543 WeakPolarHBondContact O-CG 3.16Å; F539-L543 PolarHBondContact O-N 2.86Å
540	G	94.1	Very high	91.5	Very high	33 Å²	33	89.4 Å²	89.4	34%	0.34	49%	0.494	S	S	.	.	H	α-helix	trans	-59.3	-46.5	173.9	0	0	0	0	0	112.4	A536 T537 F542 L543 V544	A536-G540 PolarHBondContact O-N 3.19Å; T537-G540 PolarHBondContact O-N 2.92Å; G540-F542 VanDerWaalsContact C-N 3.32Å; G540-F542 PolarHBondContact O-N 3.49Å; G540-L543 PolarHBondContact O-N 2.91Å; G540-V544 WeakPolarHBondContact O-CG2 3.37Å; G540-V544 PolarHBondContact O-N 2.75Å
541	L	94.4	Very high	91.7	Very high	117 Å²	117	90.9 Å²	90.9	61%	0.613	50%	0.495	S	S	*	.	H	α-helix	trans	-63.6	-37.3	175.6	-70.8	172.1	0	0	0	112.3	T537 M538 V544 N545	T537-L541 WeakPolarHBondContact O-CG 3.44Å; T537-L541 PolarHBondContact O-N 3.27Å; M538-L541 PolarHBondContact O-N 2.69Å; L541-V544 PolarHBondContact O-N 3.13Å; L541-N545 PolarHBondContact O-N 3.28Å
542	F	94	Very high	91.8	Very high	119 Å²	119	94.4 Å²	94.4	52%	0.522	50%	0.499	S	S	.	.	H	α-helix	trans	-62.7	-43.9	174.1	179.1	-106.4	0	0	0	112.4	M538 F539 G540 N545 I546	M538-F542 WeakPolarHBondContact O-CB 3.4Å; M538-F542 PolarHBondContact O-N 2.95Å; F539-F542 WeakPolarHBondContact O-CB 3.38Å; F539-F542 PolarHBondContact O-N 2.78Å; G540-F542 VanDerWaalsContact C-N 3.32Å; G540-F542 PolarHBondContact O-N 3.49Å; F542-N545 WeakPolarHBondContact O-CB 3.13Å; F542-N545 PolarHBondContact O-N 3.07Å; F542-I546 HydrophobicContact CD1-CD1 3.89Å; F542-I546 HydrophobicContact CE1-CD1 3.33Å; F542-I546 HydrophobicContact CE1-CG1 4.31Å; F542-I546 HydrophobicContact CE2-CD1 4.36Å; F542-I546 HydrophobicContact CZ-CD1 3.61Å; F542-I546 HydrophobicContact CZ-CG1 4.3Å; F542-I546 PolarHBondContact O-N 3.13Å
543	L	93.9	Very high	91.8	Very high	88 Å²	88	98.3 Å²	98.3	46%	0.461	51%	0.508	S	S	.	.	H	α-helix	trans	-64.7	-40.5	175.7	-70.8	-179.9	0	0	0	112.5	F539 G540 N545 I546 A547	F539-L543 HydrophobicContact CD1-CD1 3.96Å; F539-L543 HydrophobicContact CD1-CG 4.26Å; F539-L543 HydrophobicContact CE1-CD1 3.64Å; F539-L543 HydrophobicContact CE1-CD2 4.34Å; F539-L543 HydrophobicContact CE1-CG 3.99Å; F539-L543 HydrophobicContact CZ-CD1 4.42Å; F539-L543 HydrophobicContact CZ-CD2 4.33Å; F539-L543 HydrophobicContact CZ-CG 4.4Å; F539-L543 WeakPolarHBondContact O-CG 3.16Å; F539-L543 PolarHBondContact O-N 2.86Å; G540-L543 PolarHBondContact O-N 2.91Å; L543-N545 VanDerWaalsContact C-N 3.27Å; L543-N545 PolarHBondContact O-N 3.33Å; L543-I546 PolarHBondContact O-N 2.76Å; L543-A547 WeakPolarHBondContact O-CB 3.33Å; L543-A547 PolarHBondContact O-N 2.97Å
544	V	93.4	Very high	91.5	Very high	98 Å²	98	100.2 Å²	100.2	59%	0.594	51%	0.512	S	S	*	.	H	α-helix	trans	-59.8	-40.9	173.6	171.2	0	0	0	0	110.5	G540 L541 A547 Y548	G540-V544 WeakPolarHBondContact O-CG2 3.37Å; G540-V544 PolarHBondContact O-N 2.75Å; L541-V544 PolarHBondContact O-N 3.13Å; V544-A547 PolarHBondContact O-N 2.91Å; V544-Y548 WeakPolarHBondContact O-CB 3.13Å; V544-Y548 PolarHBondContact O-N 3.35Å
545	N	92.7	Very high	91.2	Very high	89 Å²	89	101.6 Å²	101.6	48%	0.476	52%	0.516	S	S	.	.	H	α-helix	trans	-66.1	-43.1	176.8	-164.3	11.2	0	0	0	112.3	L541 F542 L543 A547 Y548 I549	L541-N545 PolarHBondContact O-N 3.28Å; F542-N545 WeakPolarHBondContact O-CB 3.13Å; F542-N545 PolarHBondContact O-N 3.07Å; L543-N545 VanDerWaalsContact C-N 3.27Å; L543-N545 PolarHBondContact O-N 3.33Å; N545-A547 PolarHBondContact O-N 2.63Å; N545-Y548 WeakPolarHBondContact O-CB 3.23Å; N545-Y548 PolarHBondContact O-N 3.03Å; N545-I549 VanDerWaalsContact O-CG1 3.32Å; N545-I549 WeakPolarHBondContact O-CG1 3.38Å; N545-I549 PolarHBondContact O-N 2.74Å
546	I	91.8	Very high	90.7	Very high	62 Å²	62	100.6 Å²	100.6	32%	0.318	51%	0.514	S	S	.	.	H	α-helix	trans	-59.3	-48.4	173.2	-71	176.3	0	0	0	110.5	F542 L543 Y548 I549 F550	F542-I546 HydrophobicContact CD1-CD1 3.89Å; F542-I546 HydrophobicContact CE1-CD1 3.33Å; F542-I546 HydrophobicContact CE1-CG1 4.31Å; F542-I546 HydrophobicContact CE2-CD1 4.36Å; F542-I546 HydrophobicContact CZ-CD1 3.61Å; F542-I546 HydrophobicContact CZ-CG1 4.3Å; F542-I546 PolarHBondContact O-N 3.13Å; L543-I546 PolarHBondContact O-N 2.76Å; I546-Y548 VanDerWaalsContact C-N 3.3Å; I546-Y548 PolarHBondContact O-N 2.73Å; I546-I549 PolarHBondContact O-N 3.11Å; I546-F550 HydrophobicContact CG2-CD2 3.68Å; I546-F550 HydrophobicContact CG2-CE2 3.8Å; I546-F550 WeakPolarHBondContact O-CD2 3.22Å; I546-F550 PolarHBondContact O-N 2.83Å
547	A	91.4	Very high	90	Very high	46 Å²	46	105 Å²	105	38%	0.38	52%	0.518	S	S	.	.	H	α-helix	trans	-58.9	-43.4	178.3	0	0	0	0	0	111.2	L543 V544 N545 I549 F550 I551	L543-A547 WeakPolarHBondContact O-CB 3.33Å; L543-A547 PolarHBondContact O-N 2.97Å; V544-A547 PolarHBondContact O-N 2.91Å; N545-A547 PolarHBondContact O-N 2.63Å; A547-I549 PolarHBondContact O-N 3.28Å; A547-F550 PolarHBondContact O-N 2.86Å; A547-I551 WeakPolarHBondContact O-CB 3.1Å; A547-I551 WeakPolarHBondContact O-CD1 3.28Å; A547-I551 WeakPolarHBondContact O-CG1 2.87Å; A547-I551 PolarHBondContact O-N 2.96Å
548	Y	92.1	Very high	89.2	Confident	138 Å²	138	109.8 Å²	109.8	54%	0.541	53%	0.527	S	S	.	.	H	α-helix	trans	-58.6	-46.6	174.6	172.5	-105.8	0	0	0	112.3	V544 N545 I546 F550 I551 R552	V544-Y548 WeakPolarHBondContact O-CB 3.13Å; V544-Y548 PolarHBondContact O-N 3.35Å; N545-Y548 WeakPolarHBondContact O-CB 3.23Å; N545-Y548 PolarHBondContact O-N 3.03Å; I546-Y548 VanDerWaalsContact C-N 3.3Å; I546-Y548 PolarHBondContact O-N 2.73Å; Y548-F550 VanDerWaalsContact C-N 3.35Å; Y548-F550 PolarHBondContact O-N 2.73Å; Y548-I551 PolarHBondContact O-N 3.45Å; Y548-R552 VanDerWaalsContact O-CB 3.24Å; Y548-R552 WeakPolarHBondContact O-CB 3.42Å; Y548-R552 PolarHBondContact O-N 3Å
549	I	90.5	Very high	88.5	Confident	78 Å²	78	107.7 Å²	107.7	40%	0.4	52%	0.517	S	S	.	.	H	α-helix	trans	-60.7	-44.2	177.4	-66.4	166.6	0	0	0	110.9	N545 I546 A547 R553	N545-I549 VanDerWaalsContact O-CG1 3.32Å; N545-I549 WeakPolarHBondContact O-CG1 3.38Å; N545-I549 PolarHBondContact O-N 2.74Å; I546-I549 PolarHBondContact O-N 3.11Å; A547-I549 PolarHBondContact O-N 3.28Å; I549-R553 WeakPolarHBondContact O-CB 3.34Å; I549-R553 WeakPolarHBondContact O-CG 3.27Å; I549-R553 PolarHBondContact O-N 2.99Å
550	F	89.3	Confident	87.7	Confident	126 Å²	126	104.2 Å²	104.2	55%	0.553	51%	0.508	S	S	*	.	H	α-helix	trans	-66	-46.9	178.1	-90.4	-79.9	0	0	0	112.6	I546 A547 Y548 R552 R553 L554	I546-F550 HydrophobicContact CG2-CD2 3.68Å; I546-F550 HydrophobicContact CG2-CE2 3.8Å; I546-F550 WeakPolarHBondContact O-CD2 3.22Å; I546-F550 PolarHBondContact O-N 2.83Å; A547-F550 PolarHBondContact O-N 2.86Å; Y548-F550 VanDerWaalsContact C-N 3.35Å; Y548-F550 PolarHBondContact O-N 2.73Å; F550-R552 VanDerWaalsContact C-N 3.33Å; F550-R552 PolarHBondContact O-N 3.25Å; F550-R553 PolarHBondContact O-N 3.47Å; F550-L554 WeakPolarHBondContact O-CB 3.17Å; F550-L554 WeakPolarHBondContact O-CG 3.49Å; F550-L554 PolarHBondContact O-N 2.96Å
551	I	88.4	Confident	86.8	Confident	104 Å²	104	107.8 Å²	107.8	53%	0.533	51%	0.514	S	S	.	.	H	α-helix	trans	-59.6	-46.8	177.2	-69	165.2	0	0	0	109.6	A547 Y548 R553 L554 V555	A547-I551 WeakPolarHBondContact O-CB 3.1Å; A547-I551 WeakPolarHBondContact O-CD1 3.28Å; A547-I551 WeakPolarHBondContact O-CG1 2.87Å; A547-I551 PolarHBondContact O-N 2.96Å; Y548-I551 PolarHBondContact O-N 3.45Å; I551-R553 PolarHBondContact O-N 2.96Å; I551-L554 PolarHBondContact O-N 3.22Å; I551-V555 HydrophobicContact CG2-CG2 4.27Å; I551-V555 VanDerWaalsContact O-CG2 3.29Å; I551-V555 WeakPolarHBondContact O-CG2 3.28Å; I551-V555 PolarHBondContact O-N 2.88Å
552	R	88.8	Confident	85.7	Confident	160 Å²	160	108.4 Å²	108.4	60%	0.604	52%	0.516	S	S	*	.	H	α-helix	trans	-58.3	-46.3	176.8	-173.3	-179.9	178	-151.6	1	111.5	Y548 F550 V555 V556	Y548-R552 VanDerWaalsContact O-CB 3.24Å; Y548-R552 WeakPolarHBondContact O-CB 3.42Å; Y548-R552 PolarHBondContact O-N 3Å; F550-R552 VanDerWaalsContact C-N 3.33Å; F550-R552 PolarHBondContact O-N 3.25Å; R552-V555 PolarHBondContact O-N 3.44Å; R552-V556 VanDerWaalsContact O-CG2 3.3Å; R552-V556 WeakPolarHBondContact O-CG2 3.22Å; R552-V556 PolarHBondContact O-N 3.32Å
553	R	87	Confident	84.7	Confident	175 Å²	175	110.3 Å²	110.3	66%	0.66	52%	0.524	S	S	*	.	H	α-helix	trans	-62.2	-42.5	175.9	-81	-176.8	175.5	-178.8	0.6	112.3	I549 F550 I551 V556 W557	I549-R553 WeakPolarHBondContact O-CB 3.34Å; I549-R553 WeakPolarHBondContact O-CG 3.27Å; I549-R553 PolarHBondContact O-N 2.99Å; F550-R553 PolarHBondContact O-N 3.47Å; I551-R553 PolarHBondContact O-N 2.96Å; R553-V556 PolarHBondContact O-N 3.37Å; R553-W557 VanDerWaalsContact O-CB 3.26Å; R553-W557 WeakPolarHBondContact O-CB 3.4Å; R553-W557 PolarHBondContact O-N 3.31Å
554	L	83.4	Confident	83.7	Confident	103 Å²	103	112.9 Å²	112.9	54%	0.539	53%	0.527	S	S	.	.	H	α-helix	trans	-64	-43	177.7	-78	168.5	0	0	0	112	F550 I551 W557 R558	F550-L554 WeakPolarHBondContact O-CB 3.17Å; F550-L554 WeakPolarHBondContact O-CG 3.49Å; F550-L554 PolarHBondContact O-N 2.96Å; I551-L554 PolarHBondContact O-N 3.22Å; L554-W557 PolarHBondContact O-N 2.92Å; L554-R558 VanDerWaalsContact O-CB 3.28Å; L554-R558 WeakPolarHBondContact O-CB 3.41Å; L554-R558 PolarHBondContact O-N 3.27Å
555	V	82.6	Confident	82.6	Confident	77 Å²	77	111.9 Å²	111.9	47%	0.467	52%	0.521	S	S	.	.	H	α-helix	trans	-62.7	-49.2	176.7	171.2	0	0	0	0	110.5	I551 R552 W557 R558 I559	I551-V555 HydrophobicContact CG2-CG2 4.27Å; I551-V555 VanDerWaalsContact O-CG2 3.29Å; I551-V555 WeakPolarHBondContact O-CG2 3.28Å; I551-V555 PolarHBondContact O-N 2.88Å; R552-V555 PolarHBondContact O-N 3.44Å; V555-W557 VanDerWaalsContact C-N 3.34Å; V555-W557 PolarHBondContact O-N 3.13Å; V555-R558 PolarHBondContact O-N 3.3Å; V555-I559 HydrophobicContact CG1-CD1 3.9Å; V555-I559 WeakPolarHBondContact O-CG1 3.24Å; V555-I559 PolarHBondContact O-N 3.08Å
556	V	82.6	Confident	81.8	Confident	90 Å²	90	108.9 Å²	108.9	55%	0.545	51%	0.511	S	S	.	.	H	α-helix	trans	-60.6	-43.6	177.4	172.7	0	0	0	0	111.3	R552 R553 R558 I559 S560	R552-V556 VanDerWaalsContact O-CG2 3.3Å; R552-V556 WeakPolarHBondContact O-CG2 3.22Å; R552-V556 PolarHBondContact O-N 3.32Å; R553-V556 PolarHBondContact O-N 3.37Å; V556-R558 PolarHBondContact O-N 3.1Å; V556-I559 PolarHBondContact O-N 3.27Å; V556-S560 WeakPolarHBondContact O-CB 3.38Å; V556-S560 PolarHBondContact O-N 3.09Å
557	W	78	Confident	81.2	Confident	155 Å²	155	110.7 Å²	110.7	59%	0.587	52%	0.521	S	S	*	.	H	α-helix	trans	-62.2	-42.8	176.2	-179.4	82.3	0	0	0	112	R553 L554 V555 S560 K561	R553-W557 VanDerWaalsContact O-CB 3.26Å; R553-W557 WeakPolarHBondContact O-CB 3.4Å; R553-W557 PolarHBondContact O-N 3.31Å; L554-W557 PolarHBondContact O-N 2.92Å; V555-W557 VanDerWaalsContact C-N 3.34Å; V555-W557 PolarHBondContact O-N 3.13Å; W557-S560 PolarHBondContact O-N 3.04Å; W557-K561 HydrophobicContact CH2-CD 3.72Å; W557-K561 HydrophobicContact CZ2-CD 3.89Å; W557-K561 HydrophobicContact CZ3-CD 4.09Å; W557-K561 WeakPolarHBondContact O-CB 3.43Å; W557-K561 PolarHBondContact O-N 3.48Å
558	R	77.9	Confident	80.3	Confident	187 Å²	187	110.7 Å²	110.7	71%	0.706	52%	0.516	S	S	*	.	H	α-helix	trans	-65.1	-42.9	179.1	-167.4	168.7	-175.5	155.3	-0.9	111.8	L554 V555 V556 K561 M562	L554-R558 VanDerWaalsContact O-CB 3.28Å; L554-R558 WeakPolarHBondContact O-CB 3.41Å; L554-R558 PolarHBondContact O-N 3.27Å; V555-R558 PolarHBondContact O-N 3.3Å; V556-R558 PolarHBondContact O-N 3.1Å; R558-K561 PolarHBondContact O-N 2.68Å; R558-M562 WeakPolarHBondContact O-CB 3.25Å; R558-M562 WeakPolarHBondContact O-CG 3.28Å; R558-M562 PolarHBondContact O-N 3.2Å
559	I	78.6	Confident	79.5	Confident	91 Å²	91	112.3 Å²	112.3	47%	0.467	52%	0.522	S	S	.	.	H	α-helix	trans	-61.7	-44.9	174.9	-66.6	167.5	0	0	0	110.7	V555 V556 M562 K563	V555-I559 HydrophobicContact CG1-CD1 3.9Å; V555-I559 WeakPolarHBondContact O-CG1 3.24Å; V555-I559 PolarHBondContact O-N 3.08Å; V556-I559 PolarHBondContact O-N 3.27Å; I559-M562 PolarHBondContact O-N 2.75Å; I559-K563 PolarHBondContact O-N 2.78Å
560	S	77.4	Confident	78.9	Confident	52 Å²	52	117.5 Å²	117.5	36%	0.364	54%	0.536	S	S	.	.	H	α-helix	trans	-63.6	-42.8	177.6	-173.6	0	0	0	0	112.1	V556 W557 K563 R564	V556-S560 WeakPolarHBondContact O-CB 3.38Å; V556-S560 PolarHBondContact O-N 3.09Å; W557-S560 PolarHBondContact O-N 3.04Å; S560-K563 PolarHBondContact O-N 3.24Å; S560-R564 WeakPolarHBondContact O-CG 3.43Å; S560-R564 PolarHBondContact O-N 3.1Å
561	K	74	Confident	78.4	Confident	108 Å²	108	113.6 Å²	113.6	47%	0.47	52%	0.523	S	S	.	.	H	α-helix	trans	-64.4	-41.5	176	-170.9	175.1	-178.3	179.3	0	112.1	W557 R558 R564 T565	W557-K561 HydrophobicContact CH2-CD 3.72Å; W557-K561 HydrophobicContact CZ2-CD 3.89Å; W557-K561 HydrophobicContact CZ3-CD 4.09Å; W557-K561 WeakPolarHBondContact O-CB 3.43Å; W557-K561 PolarHBondContact O-N 3.48Å; R558-K561 PolarHBondContact O-N 2.68Å; K561-R564 PolarHBondContact O-N 3.3Å; K561-T565 HydrophobicContact CG-CG2 4.39Å; K561-T565 WeakPolarHBondContact O-CB 3.44Å; K561-T565 WeakPolarHBondContact O-CG2 3.46Å; K561-T565 PolarHBondContact O-N 2.93Å; K561-T565 PolarHBondContact O-OG1 2.85Å
562	M	71.7	Confident	77.9	Confident	130 Å²	130	111.9 Å²	111.9	64%	0.64	51%	0.514	S	S	*	.	H	α-helix	trans	-59.8	-48.6	174.7	-76.7	-89.5	-70.4	0	0	111.6	R558 I559 R564 T565 G566	R558-M562 WeakPolarHBondContact O-CB 3.25Å; R558-M562 WeakPolarHBondContact O-CG 3.28Å; R558-M562 PolarHBondContact O-N 3.2Å; I559-M562 PolarHBondContact O-N 2.75Å; M562-R564 VanDerWaalsContact C-N 3.35Å; M562-R564 PolarHBondContact O-N 3.44Å; M562-T565 WeakPolarHBondContact CA-OG1 3.45Å; M562-T565 PolarHBondContact O-N 2.82Å; M562-T565 PolarHBondContact O-OG1 2.75Å; M562-T565 VanDerWaalsContact O-OG1 3.1Å; M562-G566 PolarHBondContact O-N 2.94Å
563	K	73.8	Confident	77.5	Confident	159 Å²	159	107.6 Å²	107.6	69%	0.691	50%	0.501	S	S	*	.	H	α-helix	trans	-60.5	-42.8	176.8	-74.5	-175.2	178.4	-177.3	0	112	I559 S560 L567	I559-K563 PolarHBondContact O-N 2.78Å; S560-K563 PolarHBondContact O-N 3.24Å; K563-L567 WeakPolarHBondContact O-CB 3.41Å; K563-L567 PolarHBondContact O-N 2.99Å; K563-L567 VanDerWaalsContact O-N 3.09Å
564	R	71.7	Confident	77.3	Confident	143 Å²	143	102 Å²	102	54%	0.54	49%	0.492	S	S	.	.	H	α-helix	trans	-65.4	-48	178.6	-74.7	179.7	-178.8	-173.4	0.4	112.7	S560 K561 M562 L567 V568	S560-R564 WeakPolarHBondContact O-CG 3.43Å; S560-R564 PolarHBondContact O-N 3.1Å; K561-R564 PolarHBondContact O-N 3.3Å; M562-R564 VanDerWaalsContact C-N 3.35Å; M562-R564 PolarHBondContact O-N 3.44Å; R564-L567 PolarHBondContact O-N 2.81Å; R564-V568 WeakPolarHBondContact O-CG2 3.38Å; R564-V568 PolarHBondContact O-N 3.36Å; R564-V568 VanDerWaalsContact O-N 3.13Å
565	T	71.7	Confident	77	Confident	76 Å²	76	99.7 Å²	99.7	47%	0.466	48%	0.479	S	S	.	.	H	α-helix	trans	-66.9	-39.8	-179.7	48.8	0	0	0	0	111.8	K561 M562 V568 R569	K561-T565 HydrophobicContact CG-CG2 4.39Å; K561-T565 WeakPolarHBondContact O-CB 3.44Å; K561-T565 WeakPolarHBondContact O-CG2 3.46Å; K561-T565 PolarHBondContact O-N 2.93Å; K561-T565 PolarHBondContact O-OG1 2.85Å; M562-T565 WeakPolarHBondContact CA-OG1 3.45Å; M562-T565 PolarHBondContact O-N 2.82Å; M562-T565 PolarHBondContact O-OG1 2.75Å; M562-T565 VanDerWaalsContact O-OG1 3.1Å; T565-V568 PolarHBondContact O-N 2.9Å; T565-R569 WeakPolarHBondContact O-CB 3.4Å; T565-R569 PolarHBondContact O-N 2.65Å
566	G	75	Confident	76.8	Confident	26 Å²	26	98.8 Å²	98.8	27%	0.268	47%	0.47	S	S	.	.	H	α-helix	trans	-61	-43.1	174.1	0	0	0	0	0	113.1	M562 R569 R570	M562-G566 PolarHBondContact O-N 2.94Å; G566-R569 PolarHBondContact O-N 3.03Å; G566-R570 WeakPolarHBondContact O-CG 3.49Å; G566-R570 PolarHBondContact O-N 2.75Å
567	L	78.5	Confident	76.8	Confident	100 Å²	100	101.3 Å²	101.3	52%	0.524	47%	0.47	S	S	.	.	H	α-helix	trans	-63.6	-48	177.4	-172.2	69.8	0	0	0	111.7	K563 R564 R569 R570 T571	K563-L567 WeakPolarHBondContact O-CB 3.41Å; K563-L567 PolarHBondContact O-N 2.99Å; K563-L567 VanDerWaalsContact O-N 3.09Å; R564-L567 PolarHBondContact O-N 2.81Å; L567-R569 VanDerWaalsContact C-N 3.34Å; L567-R569 PolarHBondContact O-N 3.3Å; L567-R570 PolarHBondContact O-N 3.14Å; L567-T571 WeakPolarHBondContact O-CG2 3.49Å; L567-T571 PolarHBondContact O-N 3.33Å; L567-T571 PolarHBondContact O-OG1 2.75Å
568	V	73.6	Confident	77.1	Confident	46 Å²	46	100.2 Å²	100.2	28%	0.279	47%	0.466	S	S	.	.	H	α-helix	trans	-58.8	-46.2	178.4	172.6	0	0	0	0	110.9	R564 T565 T571 L572 Y685	R564-V568 WeakPolarHBondContact O-CG2 3.38Å; R564-V568 PolarHBondContact O-N 3.36Å; R564-V568 VanDerWaalsContact O-N 3.13Å; T565-V568 PolarHBondContact O-N 2.9Å; V568-T571 WeakPolarHBondContact CA-OG1 3.39Å; V568-T571 PolarHBondContact O-N 2.77Å; V568-T571 PolarHBondContact O-OG1 3.35Å; V568-L572 HydrophobicContact CG1-CD1 3.88Å; V568-L572 PolarHBondContact O-N 3.35Å; V568-Y685 HydrophobicContact CG2-CE1 3.93Å; V568-Y685 HydrophobicContact CG2-CE2 4.23Å; V568-Y685 WeakPolarHBondContact CG2-OH 3.42Å
569	R	75.1	Confident	77.2	Confident	173 Å²	173	95.1 Å²	95.1	65%	0.653	45%	0.447	S	S	*	.	H	α-helix	trans	-60.2	-48	179.3	-175.2	174.3	178.2	161.8	4.6	112.1	T565 G566 L567 T571 L572 E573	T565-R569 WeakPolarHBondContact O-CB 3.4Å; T565-R569 PolarHBondContact O-N 2.65Å; G566-R569 PolarHBondContact O-N 3.03Å; L567-R569 VanDerWaalsContact C-N 3.34Å; L567-R569 PolarHBondContact O-N 3.3Å; R569-T571 VanDerWaalsContact C-N 3.31Å; R569-T571 PolarHBondContact O-N 3.17Å; R569-L572 PolarHBondContact O-N 3.01Å; R569-E573 HydrophobicContact CG-CG 4.45Å; R569-E573 VanDerWaalsContact CG-OE1 3.31Å; R569-E573 WeakPolarHBondContact CG-OE1 3.38Å; R569-E573 IonicContact CZ-OE1 3.58Å; R569-E573 IonicContact NE-OE1 2.86Å; R569-E573 PolarHBondContact NE-OE1 3.34Å; R569-E573 IonicContact NH2-OE1 2.68Å; R569-E573 WeakPolarHBondContact O-CG 3.36Å; R569-E573 PolarHBondContact O-N 3.35Å
570	R	78.6	Confident	77.5	Confident	186 Å²	186	95.7 Å²	95.7	70%	0.702	45%	0.448	S	S	*	.	H	α-helix	trans	-60.4	-40.6	177.7	-71	176.9	-166.9	178.8	2.7	112.2	G566 L567 A574	G566-R570 WeakPolarHBondContact O-CG 3.49Å; G566-R570 PolarHBondContact O-N 2.75Å; L567-R570 PolarHBondContact O-N 3.14Å; R570-A574 WeakPolarHBondContact O-CB 3.26Å; R570-A574 PolarHBondContact O-N 3.49Å
571	T	78.4	Confident	78	Confident	45 Å²	45	101.9 Å²	101.9	28%	0.276	46%	0.463	S	S	.	.	H	α-helix	trans	-68.3	-37.3	178.5	57.7	0	0	0	0	112.6	L567 V568 R569 M575 M681	L567-T571 WeakPolarHBondContact O-CG2 3.49Å; L567-T571 PolarHBondContact O-N 3.33Å; L567-T571 PolarHBondContact O-OG1 2.75Å; V568-T571 WeakPolarHBondContact CA-OG1 3.39Å; V568-T571 PolarHBondContact O-N 2.77Å; V568-T571 PolarHBondContact O-OG1 3.35Å; R569-T571 VanDerWaalsContact C-N 3.31Å; R569-T571 PolarHBondContact O-N 3.17Å; T571-M575 WeakPolarHBondContact O-CG 3.42Å; T571-M575 PolarHBondContact O-N 2.86Å; T571-M575 VanDerWaalsContact O-N 3.09Å; T571-M681 VanDerWaalsContact CB-CE 3.48Å; T571-M681 HydrophobicContact CG2-CE 4.28Å; T571-M681 VanDerWaalsContact OG1-CE 3.28Å; T571-M681 WeakPolarHBondContact OG1-CE 3.26Å
572	L	77.2	Confident	78.7	Confident	68 Å²	68	100.2 Å²	100.2	36%	0.356	46%	0.457	S	S	.	.	H	α-helix	trans	-66.6	-45.9	174.1	-92.3	155.8	0	0	0	111.8	V568 R569 A574 M575 E576	V568-L572 HydrophobicContact CG1-CD1 3.88Å; V568-L572 PolarHBondContact O-N 3.35Å; R569-L572 PolarHBondContact O-N 3.01Å; L572-A574 VanDerWaalsContact C-N 3.31Å; L572-A574 PolarHBondContact O-N 2.84Å; L572-M575 PolarHBondContact O-N 3.31Å; L572-E576 PolarHBondContact O-N 3.46Å
573	E	81.6	Confident	79.3	Confident	70 Å²	70	96.1 Å²	96.1	33%	0.327	44%	0.438	S	S	.	.	H	α-helix	trans	-60.8	-40.8	177.1	-73.3	173.8	-170	0	0	111.5	R569 E576 R577	R569-E573 HydrophobicContact CG-CG 4.45Å; R569-E573 VanDerWaalsContact CG-OE1 3.31Å; R569-E573 WeakPolarHBondContact CG-OE1 3.38Å; R569-E573 IonicContact CZ-OE1 3.58Å; R569-E573 IonicContact NE-OE1 2.86Å; R569-E573 PolarHBondContact NE-OE1 3.34Å; R569-E573 IonicContact NH2-OE1 2.68Å; R569-E573 WeakPolarHBondContact O-CG 3.36Å; R569-E573 PolarHBondContact O-N 3.35Å; E573-E576 PolarHBondContact O-N 2.93Å; E573-R577 WeakPolarHBondContact O-CG 3.4Å; E573-R577 PolarHBondContact O-N 3.34Å; E573-R577 IonicContact OE2-NH2 3.98Å
574	A	82.1	Confident	80	Confident	57 Å²	57	93.5 Å²	93.5	47%	0.471	43%	0.431	S	S	.	.	H	α-helix	trans	-63.4	-41.9	175.1	0	0	0	0	0	112.4	R570 L572 Y578	R570-A574 WeakPolarHBondContact O-CB 3.26Å; R570-A574 PolarHBondContact O-N 3.49Å; L572-A574 VanDerWaalsContact C-N 3.31Å; L572-A574 PolarHBondContact O-N 2.84Å; A574-Y578 PolarHBondContact O-N 3.3Å
575	M	76.8	Confident	81	Confident	55 Å²	55	89.2 Å²	89.2	27%	0.271	43%	0.426	S	S	.	.	H	α-helix	trans	-63.8	-41.3	175.1	-75.1	-176.4	175.6	0	0	112.3	T571 L572 Y578 R579 M681	T571-M575 WeakPolarHBondContact O-CG 3.42Å; T571-M575 PolarHBondContact O-N 2.86Å; T571-M575 VanDerWaalsContact O-N 3.09Å; L572-M575 PolarHBondContact O-N 3.31Å; M575-Y578 PolarHBondContact O-N 3.44Å; M575-R579 PolarHBondContact O-N 3.21Å; M575-M681 HydrophobicContact CE-CE 3.53Å; M575-M681 HydrophobicContact CE-SD 4.2Å; M575-M681 HydrophobicContact SD-CE 4.17Å; M575-M681 HydrophobicContact SD-SD 4.43Å
576	E	78.5	Confident	81.9	Confident	57 Å²	57	86.5 Å²	86.5	27%	0.266	41%	0.409	S	S	.	.	H	α-helix	trans	-66.4	-43.4	-179.9	-150.6	72.1	-139.7	0	0	111.2	L572 E573 Y578 R579 Q580 R678	L572-E576 PolarHBondContact O-N 3.46Å; E573-E576 PolarHBondContact O-N 2.93Å; E576-Y578 VanDerWaalsContact C-N 3.34Å; E576-Y578 PolarHBondContact O-N 2.93Å; E576-R579 WeakPolarHBondContact O-CB 3.16Å; E576-R579 PolarHBondContact O-N 3.29Å; E576-R579 IonicContact OE1-CZ 3.05Å; E576-R579 IonicContact OE1-NE 2.98Å; E576-R579 PolarHBondContact OE1-NE 3.35Å; E576-R579 IonicContact OE1-NH2 3.07Å; E576-R579 PolarHBondContact OE1-NH2 2.84Å; E576-Q580 PolarHBondContact O-N 3.13Å; E576-R678 IonicContact OE1-NH2 3.13Å; E576-R678 IonicContact OE2-CZ 3.68Å; E576-R678 IonicContact OE2-NH2 2.99Å; E576-R678 PolarHBondContact OE2-NH2 3.47Å
577	R	83.1	Confident	82.6	Confident	144 Å²	144	91.8 Å²	91.8	54%	0.543	42%	0.422	S	S	.	.	H	α-helix	trans	-61.8	-40.8	174.7	-71.3	179.7	-158.6	165.5	7.2	112.3	E573 R579 Q580 R581	E573-R577 WeakPolarHBondContact O-CG 3.4Å; E573-R577 PolarHBondContact O-N 3.34Å; E573-R577 IonicContact OE2-NH2 3.98Å; R577-R579 VanDerWaalsContact C-N 3.34Å; R577-Q580 PolarHBondContact O-N 2.87Å; R577-R581 WeakPolarHBondContact O-CG 3.22Å; R577-R581 PolarHBondContact O-N 3.23Å
578	Y	83.2	Confident	83.2	Confident	131 Å²	131	93.6 Å²	93.6	51%	0.514	43%	0.427	S	S	.	.	H	α-helix	trans	-62.4	-43.1	175.4	-179.2	-98.4	0	0	0	111.3	A574 M575 E576 R581 Q582	A574-Y578 PolarHBondContact O-N 3.3Å; M575-Y578 PolarHBondContact O-N 3.44Å; E576-Y578 VanDerWaalsContact C-N 3.34Å; E576-Y578 PolarHBondContact O-N 2.93Å; Y578-R581 PolarHBondContact O-N 3.4Å; Y578-Q582 HydrophobicContact CD1-CG 4.23Å; Y578-Q582 HydrophobicContact CE1-CG 3.83Å; Y578-Q582 HydrophobicContact CE2-CG 4.34Å; Y578-Q582 VanDerWaalsContact O-CG 3.28Å; Y578-Q582 WeakPolarHBondContact O-CG 3.3Å; Y578-Q582 PolarHBondContact O-N 3.35Å; Y578-Q582 VanDerWaalsContact O-N 3.09Å
579	R	81.7	Confident	84.1	Confident	81 Å²	81	95 Å²	95	31%	0.306	43%	0.432	S	S	.	.	H	α-helix	trans	-61	-44.9	176.2	-174.2	-177.7	76.5	84.4	-2.8	112.2	M575 E576 R577 Q582 L583 L670 T674	M575-R579 PolarHBondContact O-N 3.21Å; E576-R579 WeakPolarHBondContact O-CB 3.16Å; E576-R579 PolarHBondContact O-N 3.29Å; E576-R579 IonicContact OE1-CZ 3.05Å; E576-R579 IonicContact OE1-NE 2.98Å; E576-R579 PolarHBondContact OE1-NE 3.35Å; E576-R579 IonicContact OE1-NH2 3.07Å; E576-R579 PolarHBondContact OE1-NH2 2.84Å; R577-R579 VanDerWaalsContact C-N 3.34Å; R579-Q582 PolarHBondContact O-N 2.81Å; R579-L583 HydrophobicContact CG-CD1 4.35Å; R579-L583 VanDerWaalsContact NH1-CD1 3.33Å; R579-L583 PolarHBondContact O-N 3.4Å; R579-L670 HydrophobicContact CG-CD2 4.39Å; R579-T674 HydrophobicContact CB-CG2 4.29Å; R579-T674 HydrophobicContact CG-CG2 3.78Å
580	Q	84.1	Confident	84.8	Confident	102 Å²	102	88.3 Å²	88.3	48%	0.477	41%	0.407	S	S	.	.	H	α-helix	trans	-60.1	-52.1	177.4	-83.2	170.9	-42.7	0	0	111.3	E576 R577 Q582 L583 D584	E576-Q580 PolarHBondContact O-N 3.13Å; R577-Q580 PolarHBondContact O-N 2.87Å; Q580-Q582 PolarHBondContact O-N 3.39Å; Q580-L583 WeakPolarHBondContact O-CB 3.48Å; Q580-L583 PolarHBondContact O-N 2.87Å; Q580-D584 VanDerWaalsContact O-CG 3.29Å; Q580-D584 PolarHBondContact O-N 3.1Å
581	R	88	Confident	85.5	Confident	182 Å²	182	81.5 Å²	81.5	69%	0.687	39%	0.386	S	S	*	.	H	α-helix	trans	-55.4	-39.4	177.7	-72.3	178.7	-174.8	170	-1	113.1	R577 Y578 A585	R577-R581 WeakPolarHBondContact O-CG 3.22Å; R577-R581 PolarHBondContact O-N 3.23Å; Y578-R581 PolarHBondContact O-N 3.4Å; R581-A585 WeakPolarHBondContact O-CB 3.45Å; R581-A585 PolarHBondContact O-N 3Å; R581-A585 VanDerWaalsContact O-N 3.1Å
582	Q	87.4	Confident	86.2	Confident	74 Å²	74	82.9 Å²	82.9	35%	0.346	40%	0.397	S	S	.	.	H	α-helix	trans	-68.8	-35.6	177.9	-72.8	-72.3	-44.7	0	0	112.6	Y578 R579 Q580 L586 L670	Y578-Q582 HydrophobicContact CD1-CG 4.23Å; Y578-Q582 HydrophobicContact CE1-CG 3.83Å; Y578-Q582 HydrophobicContact CE2-CG 4.34Å; Y578-Q582 VanDerWaalsContact O-CG 3.28Å; Y578-Q582 WeakPolarHBondContact O-CG 3.3Å; Y578-Q582 PolarHBondContact O-N 3.35Å; Y578-Q582 VanDerWaalsContact O-N 3.09Å; R579-Q582 PolarHBondContact O-N 2.81Å; Q580-Q582 PolarHBondContact O-N 3.39Å; Q582-L586 WeakPolarHBondContact O-CB 3.37Å; Q582-L586 PolarHBondContact O-N 3.17Å; Q582-L586 VanDerWaalsContact O-N 3.15Å; Q582-L670 HydrophobicContact CB-CD1 3.88Å; Q582-L670 HydrophobicContact CB-CD2 3.94Å; Q582-L670 HydrophobicContact CB-CG 4.46Å
583	L	85.6	Confident	87	Confident	44 Å²	44	85.3 Å²	85.3	23%	0.23	40%	0.401	C	S	.	.	H	α-helix	trans	-69.7	-42.7	175.5	-77	168.9	0	0	0	111.9	R579 Q580 L586 Y587 L667 L670	R579-L583 HydrophobicContact CG-CD1 4.35Å; R579-L583 VanDerWaalsContact NH1-CD1 3.33Å; R579-L583 PolarHBondContact O-N 3.4Å; Q580-L583 WeakPolarHBondContact O-CB 3.48Å; Q580-L583 PolarHBondContact O-N 2.87Å; L583-L586 WeakPolarHBondContact O-CB 3.04Å; L583-L586 PolarHBondContact O-N 2.9Å; L583-Y587 WeakPolarHBondContact O-CB 3.26Å; L583-Y587 PolarHBondContact O-N 3.19Å; L583-L667 HydrophobicContact CD2-CD2 3.6Å; L583-L670 HydrophobicContact CD2-CD2 3.77Å; L583-L670 HydrophobicContact CG-CD2 3.69Å
584	D	89.3	Confident	87.4	Confident	103 Å²	103	84.9 Å²	84.9	55%	0.551	40%	0.4	S	S	*	.	H	α-helix	trans	-63.2	-47.4	-179.7	-60.7	-24.4	0	0	0	110.2	Q580 L586 Y587 E588	Q580-D584 VanDerWaalsContact O-CG 3.29Å; Q580-D584 PolarHBondContact O-N 3.1Å; D584-L586 VanDerWaalsContact C-N 3.29Å; D584-L586 PolarHBondContact O-N 3.04Å; D584-Y587 PolarHBondContact O-N 3.07Å; D584-Y587 VanDerWaalsContact O-N 3.15Å; D584-E588 PolarHBondContact O-N 3.38Å
585	A	91.3	Very high	87.9	Confident	53 Å²	53	86.7 Å²	86.7	44%	0.438	40%	0.399	S	S	.	.	H	α-helix	trans	-60.8	-37.2	175.6	0	0	0	0	0	112.8	R581 M589	R581-A585 WeakPolarHBondContact O-CB 3.45Å; R581-A585 PolarHBondContact O-N 3Å; R581-A585 VanDerWaalsContact O-N 3.1Å; A585-M589 WeakPolarHBondContact O-CB 3.41Å; A585-M589 PolarHBondContact O-N 3.01Å
586	L	90.4	Very high	88.7	Confident	20 Å²	20	89.8 Å²	89.8	11%	0.105	41%	0.413	C	S	.	.	H	α-helix	trans	-64.9	-43.1	176.2	-163.3	91.2	0	0	0	111.5	Q582 L583 D584 M589 Y590 Y663 Q666 L667	Q582-L586 WeakPolarHBondContact O-CB 3.37Å; Q582-L586 PolarHBondContact O-N 3.17Å; Q582-L586 VanDerWaalsContact O-N 3.15Å; L583-L586 WeakPolarHBondContact O-CB 3.04Å; L583-L586 PolarHBondContact O-N 2.9Å; D584-L586 VanDerWaalsContact C-N 3.29Å; D584-L586 PolarHBondContact O-N 3.04Å; L586-M589 PolarHBondContact O-N 2.8Å; L586-Y590 PolarHBondContact O-N 3.08Å; L586-Y663 HydrophobicContact CB-CE2 4.36Å; L586-Y663 HydrophobicContact CD2-CD2 3.63Å; L586-Y663 HydrophobicContact CD2-CE2 3.32Å; L586-Y663 HydrophobicContact CG-CD2 3.88Å; L586-Y663 HydrophobicContact CG-CE2 3.7Å; L586-Q666 HydrophobicContact CD1-CB 3.67Å; L586-Q666 HydrophobicContact CD1-CG 4.44Å; L586-Q666 HydrophobicContact CD2-CB 4.37Å; L586-L667 HydrophobicContact CD2-CB 4.49Å; L586-L667 HydrophobicContact CD2-CG 3.77Å
587	Y	89.5	Confident	89.3	Confident	136 Å²	136	88.9 Å²	88.9	53%	0.533	41%	0.409	S	S	.	.	H	α-helix	trans	-69	-42.9	-179.7	-174.8	-100.9	0	0	0	111.7	L583 D584 M589 Y590 T591	L583-Y587 WeakPolarHBondContact O-CB 3.26Å; L583-Y587 PolarHBondContact O-N 3.19Å; D584-Y587 PolarHBondContact O-N 3.07Å; D584-Y587 VanDerWaalsContact O-N 3.15Å; Y587-M589 VanDerWaalsContact C-N 3.34Å; Y587-M589 PolarHBondContact O-N 3.39Å; Y587-Y590 PolarHBondContact O-N 2.81Å; Y587-T591 HydrophobicContact CD1-CG2 4.15Å; Y587-T591 HydrophobicContact CE1-CG2 3.74Å; Y587-T591 HydrophobicContact CE2-CG2 4.24Å; Y587-T591 WeakPolarHBondContact O-CG2 3.48Å; Y587-T591 PolarHBondContact O-N 3.15Å; Y587-T591 PolarHBondContact O-OG1 2.72Å
588	E	92.5	Very high	89.6	Confident	138 Å²	138	84.6 Å²	84.6	65%	0.645	40%	0.399	S	S	*	.	H	α-helix	trans	-58.4	-45.2	172.1	-80.5	-170.1	158.8	0	0	111.8	D584 Y590 T591 C592	D584-E588 PolarHBondContact O-N 3.38Å; E588-Y590 VanDerWaalsContact C-N 3.33Å; E588-Y590 PolarHBondContact O-N 3.13Å; E588-T591 WeakPolarHBondContact CA-OG1 3.4Å; E588-T591 PolarHBondContact O-N 3.49Å; E588-T591 PolarHBondContact O-OG1 3.09Å; E588-C592 VanDerWaalsContact O-CB 3.28Å; E588-C592 WeakPolarHBondContact O-CB 3.49Å; E588-C592 PolarHBondContact O-N 3.06Å
589	M	91.3	Very high	90.1	Very high	77 Å²	77	81.8 Å²	81.8	38%	0.379	39%	0.393	S	S	.	.	H	α-helix	trans	-64.6	-38.1	178.9	-166.7	178.9	76.1	0	0	112.3	A585 L586 Y587 R593	A585-M589 WeakPolarHBondContact O-CB 3.41Å; A585-M589 PolarHBondContact O-N 3.01Å; L586-M589 PolarHBondContact O-N 2.8Å; Y587-M589 VanDerWaalsContact C-N 3.34Å; Y587-M589 PolarHBondContact O-N 3.39Å; M589-R593 WeakPolarHBondContact O-CB 3.32Å; M589-R593 WeakPolarHBondContact O-CG 3.37Å; M589-R593 PolarHBondContact O-N 2.86Å; M589-R593 VanDerWaalsContact O-N 3.15Å
590	Y	90.9	Very high	90.5	Very high	31 Å²	31	81.3 Å²	81.3	12%	0.122	40%	0.396	C	S	.	.	H	α-helix	trans	-64.6	-49.7	175.9	169.8	-101.6	0	0	0	111.8	L586 Y587 E588 C592 R593 M594 M656 L659 W660 Y663	L586-Y590 PolarHBondContact O-N 3.08Å; Y587-Y590 PolarHBondContact O-N 2.81Å; E588-Y590 VanDerWaalsContact C-N 3.33Å; E588-Y590 PolarHBondContact O-N 3.13Å; Y590-C592 PolarHBondContact O-N 3.05Å; Y590-R593 PolarHBondContact O-N 3.4Å; Y590-M594 HydrophobicContact CE1-SD 4.21Å; Y590-M594 WeakPolarHBondContact O-CB 3.07Å; Y590-M594 PolarHBondContact O-N 2.72Å; Y590-M656 VanDerWaalsContact OH-CE 3.3Å; Y590-M656 WeakPolarHBondContact OH-CE 3.43Å; Y590-L659 HydrophobicContact CD2-CD1 4.38Å; Y590-L659 HydrophobicContact CD2-CD2 3.98Å; Y590-L659 HydrophobicContact CD2-CG 3.8Å; Y590-L659 HydrophobicContact CE2-CD2 3.91Å; Y590-L659 HydrophobicContact CE2-CG 3.84Å; Y590-W660 HydrophobicContact CE2-CE3 4.05Å; Y590-W660 AromaticContact CZ-CE3 3.84Å; Y590-Y663 HydrophobicContact CD2-CD1 4.4Å; Y590-Y663 HydrophobicContact CD2-CD2 4.19Å; Y590-Y663 AromaticContact CD2-CG 3.89Å; Y590-Y663 HydrophobicContact CD2-CG 3.89Å; Y590-Y663 AromaticContact CG-CD2 3.98Å; Y590-Y663 HydrophobicContact CG-CD2 3.98Å; Y590-Y663 HydrophobicContact CG-CE2 4.35Å; Y590-Y663 HydrophobicContact CG-CG 4.07Å
591	T	92.7	Very high	90.8	Very high	44 Å²	44	80.1 Å²	80.1	27%	0.27	39%	0.388	S	S	.	.	H	α-helix	trans	-63.3	-42.3	-178.9	49.6	0	0	0	0	111.8	Y587 E588 R593 M594 Q595	Y587-T591 HydrophobicContact CD1-CG2 4.15Å; Y587-T591 HydrophobicContact CE1-CG2 3.74Å; Y587-T591 HydrophobicContact CE2-CG2 4.24Å; Y587-T591 WeakPolarHBondContact O-CG2 3.48Å; Y587-T591 PolarHBondContact O-N 3.15Å; Y587-T591 PolarHBondContact O-OG1 2.72Å; E588-T591 WeakPolarHBondContact CA-OG1 3.4Å; E588-T591 PolarHBondContact O-N 3.49Å; E588-T591 PolarHBondContact O-OG1 3.09Å; T591-R593 PolarHBondContact O-N 3.48Å; T591-M594 PolarHBondContact O-N 2.76Å; T591-Q595 PolarHBondContact O-N 3.27Å
592	C	94	Very high	90.9	Very high	74 Å²	74	76.2 Å²	76.2	50%	0.5	38%	0.377	S	S	.	.	H	α-helix	trans	-61.2	-45.2	175.8	-174.2	0	0	0	0	112.2	E588 Y590 Q595 Q596	E588-C592 VanDerWaalsContact O-CB 3.28Å; E588-C592 WeakPolarHBondContact O-CB 3.49Å; E588-C592 PolarHBondContact O-N 3.06Å; Y590-C592 PolarHBondContact O-N 3.05Å; C592-Q595 PolarHBondContact O-N 3.15Å; C592-Q596 WeakPolarHBondContact O-CG 3.36Å; C592-Q596 PolarHBondContact O-N 2.96Å; C592-Q596 VanDerWaalsContact O-N 3.14Å
593	R	93.2	Very high	91.2	Very high	118 Å²	118	78.6 Å²	78.6	45%	0.445	39%	0.388	S	S	.	.	H	α-helix	trans	-68.4	-37	176.7	-76	-176.3	178.3	-170.8	-0	113.2	M589 Y590 T591 Q595 Q596 I597 L659	M589-R593 WeakPolarHBondContact O-CB 3.32Å; M589-R593 WeakPolarHBondContact O-CG 3.37Å; M589-R593 PolarHBondContact O-N 2.86Å; M589-R593 VanDerWaalsContact O-N 3.15Å; Y590-R593 PolarHBondContact O-N 3.4Å; T591-R593 PolarHBondContact O-N 3.48Å; R593-Q595 VanDerWaalsContact C-N 3.31Å; R593-Q596 PolarHBondContact O-N 2.8Å; R593-I597 WeakPolarHBondContact O-CG1 3.35Å; R593-I597 PolarHBondContact O-N 3.24Å; R593-I597 VanDerWaalsContact O-N 3.15Å; R593-L659 HydrophobicContact CB-CD1 3.76Å; R593-L659 HydrophobicContact CB-CD2 3.89Å; R593-L659 HydrophobicContact CG-CD1 4.45Å
594	M	91.1	Very high	91.5	Very high	61 Å²	61	79.2 Å²	79.2	30%	0.3	39%	0.39	S	S	.	.	H	α-helix	trans	-59.1	-47.5	174.6	173.2	175.2	95.8	0	0	110.1	Y590 T591 Q596 I597 V598 M656 L659	Y590-M594 HydrophobicContact CE1-SD 4.21Å; Y590-M594 WeakPolarHBondContact O-CB 3.07Å; Y590-M594 PolarHBondContact O-N 2.72Å; T591-M594 PolarHBondContact O-N 2.76Å; M594-Q596 VanDerWaalsContact C-N 3.32Å; M594-Q596 PolarHBondContact O-N 2.97Å; M594-I597 PolarHBondContact O-N 2.9Å; M594-I597 VanDerWaalsContact O-N 3.13Å; M594-V598 WeakPolarHBondContact O-CG2 3.42Å; M594-V598 PolarHBondContact O-N 3.38Å; M594-M656 HydrophobicContact CB-CE 4.02Å; M594-M656 HydrophobicContact CB-SD 4.33Å; M594-M656 HydrophobicContact CG-CE 3.31Å; M594-M656 HydrophobicContact CG-SD 3.86Å; M594-M656 HydrophobicContact SD-CE 3.25Å; M594-M656 WeakPolarHBondContact SD-CE 3.08Å; M594-L659 HydrophobicContact CB-CD2 4.01Å
595	Q	92	Very high	91.5	Very high	95 Å²	95	75.3 Å²	75.3	44%	0.444	37%	0.37	S	S	.	.	H	α-helix	trans	-59.9	-42.9	178.7	-167.7	60.6	34.1	0	0	111.6	T591 C592 R593 I597 V598 D599	T591-Q595 PolarHBondContact O-N 3.27Å; C592-Q595 PolarHBondContact O-N 3.15Å; R593-Q595 VanDerWaalsContact C-N 3.31Å; Q595-I597 VanDerWaalsContact C-N 3.31Å; Q595-I597 PolarHBondContact O-N 3.28Å; Q595-V598 PolarHBondContact O-N 3.08Å; Q595-V598 VanDerWaalsContact O-N 3.15Å; Q595-D599 PolarHBondContact NE2-OD1 3.2Å; Q595-D599 WeakPolarHBondContact O-CB 2.82Å; Q595-D599 PolarHBondContact O-N 3.33Å
596	Q	93.2	Very high	91.5	Very high	121 Å²	121	76.5 Å²	76.5	57%	0.565	37%	0.369	S	S	*	.	H	α-helix	trans	-58.9	-38.2	175.5	-71.1	174.7	-10.8	0	0	113.4	C592 R593 M594 N600	C592-Q596 WeakPolarHBondContact O-CG 3.36Å; C592-Q596 PolarHBondContact O-N 2.96Å; C592-Q596 VanDerWaalsContact O-N 3.14Å; R593-Q596 PolarHBondContact O-N 2.8Å; M594-Q596 VanDerWaalsContact C-N 3.32Å; M594-Q596 PolarHBondContact O-N 2.97Å; Q596-N600 VanDerWaalsContact O-CB 3.29Å; Q596-N600 WeakPolarHBondContact O-CB 3.33Å; Q596-N600 PolarHBondContact O-N 3.25Å
597	I	91.3	Very high	91.5	Very high	38 Å²	38	81.8 Å²	81.8	20%	0.195	39%	0.393	C	S	.	.	H	α-helix	trans	-66.7	-44.3	176.4	-65.8	168.1	0	0	0	110.2	R593 M594 Q595 N600 Y601 Q655 M656 L659	R593-I597 WeakPolarHBondContact O-CG1 3.35Å; R593-I597 PolarHBondContact O-N 3.24Å; R593-I597 VanDerWaalsContact O-N 3.15Å; M594-I597 PolarHBondContact O-N 2.9Å; M594-I597 VanDerWaalsContact O-N 3.13Å; Q595-I597 VanDerWaalsContact C-N 3.31Å; Q595-I597 PolarHBondContact O-N 3.28Å; I597-N600 PolarHBondContact O-N 2.96Å; I597-Y601 WeakPolarHBondContact O-CB 3.49Å; I597-Y601 PolarHBondContact O-N 3.31Å; I597-Q655 HydrophobicContact CD1-CB 4.06Å; I597-Q655 HydrophobicContact CG1-CB 4.42Å; I597-Q655 HydrophobicContact CG2-CB 4.19Å; I597-M656 HydrophobicContact CD1-SD 4.42Å; I597-L659 HydrophobicContact CD1-CB 4.23Å; I597-L659 HydrophobicContact CD1-CD2 3.88Å
598	V	89.5	Confident	91.5	Very high	54 Å²	54	76 Å²	76	33%	0.327	37%	0.371	S	S	.	.	H	α-helix	trans	-62.5	-46.7	178.5	171.6	0	0	0	0	110.9	M594 Q595 N600 Y601 H602	M594-V598 WeakPolarHBondContact O-CG2 3.42Å; M594-V598 PolarHBondContact O-N 3.38Å; Q595-V598 PolarHBondContact O-N 3.08Å; Q595-V598 VanDerWaalsContact O-N 3.15Å; V598-N600 PolarHBondContact O-N 3.47Å; V598-Y601 WeakPolarHBondContact O-CB 3.43Å; V598-Y601 PolarHBondContact O-N 3.36Å; V598-H602 PolarHBondContact O-CD2 3.38Å; V598-H602 PolarHBondContact O-N 3.44Å
599	D	92.8	Very high	91.3	Very high	71 Å²	71	74.4 Å²	74.4	38%	0.38	36%	0.362	S	S	.	.	H	α-helix	trans	-63.2	-43	179.5	-64.4	-17.6	0	0	0	111.4	Q595 H602 Q603	Q595-D599 PolarHBondContact NE2-OD1 3.2Å; Q595-D599 WeakPolarHBondContact O-CB 2.82Å; Q595-D599 PolarHBondContact O-N 3.33Å; D599-H602 PolarHBondContact O-N 2.74Å; D599-Q603 WeakPolarHBondContact O-CG 3.05Å; D599-Q603 PolarHBondContact O-N 2.93Å
600	N	91.1	Very high	91.2	Very high	71 Å²	71	77.6 Å²	77.6	38%	0.38	37%	0.374	S	S	.	.	H	α-helix	trans	-64.3	-40.9	176.5	-170	-6.2	0	0	0	111.5	Q596 I597 V598 H602 Q603 Q604	Q596-N600 VanDerWaalsContact O-CB 3.29Å; Q596-N600 WeakPolarHBondContact O-CB 3.33Å; Q596-N600 PolarHBondContact O-N 3.25Å; I597-N600 PolarHBondContact O-N 2.96Å; V598-N600 PolarHBondContact O-N 3.47Å; N600-H602 PolarHBondContact O-N 3.48Å; N600-Q603 PolarHBondContact O-N 2.77Å; N600-Q604 WeakPolarHBondContact O-CG 3.43Å; N600-Q604 PolarHBondContact O-N 2.95Å; N600-Q604 PolarHBondContact OD1-NE2 3.08Å
601	Y	89.8	Confident	90.9	Very high	78 Å²	78	78.6 Å²	78.6	31%	0.306	39%	0.385	S	S	.	.	H	α-helix	trans	-58.1	-48.9	173.3	172.2	-97	0	0	0	111.5	I597 V598 Q603 Q604 V605 I648 R649	I597-Y601 WeakPolarHBondContact O-CB 3.49Å; I597-Y601 PolarHBondContact O-N 3.31Å; V598-Y601 WeakPolarHBondContact O-CB 3.43Å; V598-Y601 PolarHBondContact O-N 3.36Å; Y601-Q603 PolarHBondContact O-N 2.78Å; Y601-Q604 PolarHBondContact O-N 2.99Å; Y601-V605 HydrophobicContact CD1-CG2 4.4Å; Y601-V605 HydrophobicContact CD2-CG2 4.29Å; Y601-V605 HydrophobicContact CE1-CG2 3.96Å; Y601-V605 HydrophobicContact CE2-CG2 3.81Å; Y601-V605 WeakPolarHBondContact O-CG2 3.5Å; Y601-V605 PolarHBondContact O-N 3.46Å; Y601-I648 HydrophobicContact CD2-CG2 3.66Å; Y601-I648 HydrophobicContact CE2-CG2 3.77Å; Y601-R649 HydrophobicContact CE2-CB 4.14Å
602	H	91.3	Very high	90.6	Very high	100 Å²	100	79.1 Å²	79.1	46%	0.463	38%	0.383	S	S	.	.	H	α-helix	trans	-60.8	-44.2	177.7	-77.4	-62.2	0	0	0	112.2	V598 D599 N600 Q604 V605 D606	V598-H602 PolarHBondContact O-CD2 3.38Å; V598-H602 PolarHBondContact O-N 3.44Å; D599-H602 PolarHBondContact O-N 2.74Å; N600-H602 PolarHBondContact O-N 3.48Å; H602-Q604 PolarHBondContact O-N 3.06Å; H602-V605 PolarHBondContact O-N 3.09Å; H602-D606 WeakPolarHBondContact O-CB 3.48Å; H602-D606 PolarHBondContact O-N 2.76Å
603	Q	92.5	Very high	90.1	Very high	123 Å²	123	77.6 Å²	77.6	58%	0.575	38%	0.376	S	S	*	.	H	α-helix	trans	-60.3	-44.1	176.4	-74.3	178.5	1.2	0	0	112.4	D599 N600 Y601 D606 Q607	D599-Q603 WeakPolarHBondContact O-CG 3.05Å; D599-Q603 PolarHBondContact O-N 2.93Å; N600-Q603 PolarHBondContact O-N 2.77Å; Y601-Q603 PolarHBondContact O-N 2.78Å; Q603-D606 PolarHBondContact O-N 3.17Å; Q603-Q607 VanDerWaalsContact O-CG 3.3Å; Q603-Q607 WeakPolarHBondContact O-CG 3.43Å; Q603-Q607 PolarHBondContact O-N 2.88Å
604	Q	92	Very high	89.7	Confident	57 Å²	57	78.1 Å²	78.1	27%	0.266	38%	0.383	S	S	.	.	H	α-helix	trans	-65.9	-41.4	178.4	-72.6	-178.5	22.3	0	0	112.2	N600 Y601 H602 Q607 L608 I648	N600-Q604 WeakPolarHBondContact O-CG 3.43Å; N600-Q604 PolarHBondContact O-N 2.95Å; N600-Q604 PolarHBondContact OD1-NE2 3.08Å; Y601-Q604 PolarHBondContact O-N 2.99Å; H602-Q604 PolarHBondContact O-N 3.06Å; Q604-Q607 PolarHBondContact O-N 2.93Å; Q604-L608 WeakPolarHBondContact O-CB 3.31Å; Q604-L608 PolarHBondContact O-N 3.42Å; Q604-I648 HydrophobicContact CB-CD1 4.2Å; Q604-I648 HydrophobicContact CB-CG2 3.92Å
605	V	89.9	Confident	89.2	Confident	22 Å²	22	79.1 Å²	79.1	13%	0.133	39%	0.387	C	S	.	.	H	α-helix	trans	-64.5	-41.4	176.8	170.1	0	0	0	0	111	Y601 H602 L608 K609 I648	Y601-V605 HydrophobicContact CD1-CG2 4.4Å; Y601-V605 HydrophobicContact CD2-CG2 4.29Å; Y601-V605 HydrophobicContact CE1-CG2 3.96Å; Y601-V605 HydrophobicContact CE2-CG2 3.81Å; Y601-V605 WeakPolarHBondContact O-CG2 3.5Å; Y601-V605 PolarHBondContact O-N 3.46Å; H602-V605 PolarHBondContact O-N 3.09Å; V605-L608 WeakPolarHBondContact O-CB 3.38Å; V605-L608 PolarHBondContact O-N 2.88Å; V605-K609 HydrophobicContact CG1-CD 4.36Å; V605-K609 WeakPolarHBondContact O-CG 3.32Å; V605-K609 PolarHBondContact O-N 2.9Å; V605-I648 HydrophobicContact CG2-CG2 4.05Å
606	D	90.5	Very high	88.6	Confident	77 Å²	77	75.7 Å²	75.7	41%	0.412	37%	0.374	S	S	.	.	H	α-helix	trans	-69.1	-37	178.8	-75.1	-16.1	0	0	0	112.3	H602 Q603 K609 K610	H602-D606 WeakPolarHBondContact O-CB 3.48Å; H602-D606 PolarHBondContact O-N 2.76Å; Q603-D606 PolarHBondContact O-N 3.17Å; D606-K609 PolarHBondContact O-N 3.31Å; D606-K609 IonicContact OD1-NZ 3.65Å; D606-K610 WeakPolarHBondContact O-CG 3.24Å; D606-K610 PolarHBondContact O-N 2.96Å
607	Q	90.6	Very high	87.8	Confident	132 Å²	132	74.2 Å²	74.2	62%	0.617	37%	0.37	S	S	*	.	H	α-helix	trans	-63	-42.6	171	-73.9	176.3	6	0	0	111.7	Q603 Q604 K610 S611	Q603-Q607 VanDerWaalsContact O-CG 3.3Å; Q603-Q607 WeakPolarHBondContact O-CG 3.43Å; Q603-Q607 PolarHBondContact O-N 2.88Å; Q604-Q607 PolarHBondContact O-N 2.93Å; Q607-K610 PolarHBondContact O-N 3Å; Q607-S611 WeakPolarHBondContact O-CB 3.45Å; Q607-S611 PolarHBondContact O-N 3.24Å
608	L	89.3	Confident	86.9	Confident	13 Å²	13	81 Å²	81	7%	0.068	39%	0.393	C	S	.	.	H	α-helix	trans	-61.1	-45.6	176.6	-174.1	72.5	0	0	0	111.3	Q604 V605 K610 S611 Y612 Y641 Q644 A645 I648	Q604-L608 WeakPolarHBondContact O-CB 3.31Å; Q604-L608 PolarHBondContact O-N 3.42Å; V605-L608 WeakPolarHBondContact O-CB 3.38Å; V605-L608 PolarHBondContact O-N 2.88Å; L608-K610 PolarHBondContact O-N 3.22Å; L608-S611 PolarHBondContact O-N 3.24Å; L608-Y612 WeakPolarHBondContact O-CB 3.41Å; L608-Y612 PolarHBondContact O-N 3.49Å; L608-Y641 HydrophobicContact CB-CE2 4.47Å; L608-Y641 HydrophobicContact CD1-CD2 4.26Å; L608-Y641 HydrophobicContact CD2-CD2 3.79Å; L608-Y641 HydrophobicContact CD2-CE2 3.57Å; L608-Y641 HydrophobicContact CG-CD2 3.72Å; L608-Y641 HydrophobicContact CG-CE2 3.54Å; L608-Q644 HydrophobicContact CD1-CB 3.73Å; L608-Q644 HydrophobicContact CD1-CG 4.48Å; L608-Q644 HydrophobicContact CD2-CB 4.16Å; L608-A645 HydrophobicContact CD2-CB 3.87Å; L608-I648 HydrophobicContact CB-CD1 4.21Å; L608-I648 HydrophobicContact CD2-CD1 3.94Å; L608-I648 HydrophobicContact CG-CD1 4.48Å
609	K	88.5	Confident	85.8	Confident	105 Å²	105	81.1 Å²	81.1	46%	0.457	39%	0.389	S	S	.	.	H	α-helix	trans	-59.4	-44.9	175.7	-74.9	173.4	-176.1	167.8	0	112.1	V605 D606 Y612 A613	V605-K609 HydrophobicContact CG1-CD 4.36Å; V605-K609 WeakPolarHBondContact O-CG 3.32Å; V605-K609 PolarHBondContact O-N 2.9Å; D606-K609 PolarHBondContact O-N 3.31Å; D606-K609 IonicContact OD1-NZ 3.65Å; K609-Y612 PolarHBondContact O-N 3.06Å; K609-A613 WeakPolarHBondContact O-CB 3.35Å; K609-A613 PolarHBondContact O-N 2.68Å
610	K	89.4	Confident	84.6	Confident	144 Å²	144	86.6 Å²	86.6	63%	0.626	40%	0.404	S	S	*	.	H	α-helix	trans	-62.1	-45.2	177.7	-74.3	175.8	-177.4	-179.9	0	111.8	D606 Q607 L608 A613 Q614	D606-K610 WeakPolarHBondContact O-CG 3.24Å; D606-K610 PolarHBondContact O-N 2.96Å; Q607-K610 PolarHBondContact O-N 3Å; L608-K610 PolarHBondContact O-N 3.22Å; K610-A613 PolarHBondContact O-N 3.07Å; K610-Q614 WeakPolarHBondContact O-CG 3.36Å; K610-Q614 PolarHBondContact O-N 2.92Å
611	S	85.1	Confident	83.4	Confident	52 Å²	52	89.3 Å²	89.3	36%	0.364	42%	0.419	S	S	.	.	H	α-helix	trans	-62.2	-44.1	177.3	-174	0	0	0	0	111.6	Q607 L608 Q614 Q615	Q607-S611 WeakPolarHBondContact O-CB 3.45Å; Q607-S611 PolarHBondContact O-N 3.24Å; L608-S611 PolarHBondContact O-N 3.24Å; S611-Q614 PolarHBondContact O-N 3.22Å; S611-Q615 WeakPolarHBondContact O-CG 3.41Å; S611-Q615 PolarHBondContact O-N 3.22Å
612	Y	85.9	Confident	82.2	Confident	55 Å²	55	92.8 Å²	92.8	22%	0.216	43%	0.433	C	S	.	.	H	α-helix	trans	-63.9	-45.7	176.2	-178.1	-95	0	0	0	112.3	L608 K609 Q614 Q615 S616 L637 C638 Y641	L608-Y612 WeakPolarHBondContact O-CB 3.41Å; L608-Y612 PolarHBondContact O-N 3.49Å; K609-Y612 PolarHBondContact O-N 3.06Å; Y612-Q614 PolarHBondContact O-N 2.99Å; Y612-Q615 PolarHBondContact O-N 3.34Å; Y612-S616 VanDerWaalsContact O-CB 3.31Å; Y612-S616 WeakPolarHBondContact O-CB 3.34Å; Y612-S616 PolarHBondContact O-N 2.99Å; Y612-S616 PolarHBondContact O-OG 2.87Å; Y612-L637 HydrophobicContact CD2-CD2 3.43Å; Y612-L637 VanDerWaalsContact CD2-CD2 3.43Å; Y612-L637 HydrophobicContact CE2-CD2 3.33Å; Y612-C638 PolarHBondContact OH-SG 2.91Å; Y612-Y641 AromaticContact CD2-CD2 3.73Å; Y612-Y641 HydrophobicContact CD2-CD2 3.73Å; Y612-Y641 AromaticContact CD2-CG 3.77Å; Y612-Y641 HydrophobicContact CD2-CG 3.77Å; Y612-Y641 HydrophobicContact CE2-CG 4.21Å; Y612-Y641 AromaticContact CG-CD2 3.77Å; Y612-Y641 HydrophobicContact CG-CD2 3.77Å; Y612-Y641 HydrophobicContact CG-CE2 4.18Å; Y612-Y641 HydrophobicContact CG-CG 4.18Å
613	A	84.3	Confident	80.4	Confident	42 Å²	42	94.5 Å²	94.5	35%	0.347	44%	0.435	S	S	.	.	H	α-helix	trans	-56.3	-50	177.1	0	0	0	0	0	111	K609 K610 Q615 S616 D617	K609-A613 WeakPolarHBondContact O-CB 3.35Å; K609-A613 PolarHBondContact O-N 2.68Å; K610-A613 PolarHBondContact O-N 3.07Å; A613-Q615 VanDerWaalsContact C-N 3.34Å; A613-Q615 PolarHBondContact O-N 3.04Å; A613-S616 PolarHBondContact O-N 3.31Å; A613-S616 PolarHBondContact O-OG 3.3Å; A613-D617 PolarHBondContact O-N 3.49Å
614	Q	84.1	Confident	78.9	Confident	130 Å²	130	92.8 Å²	92.8	61%	0.607	44%	0.442	S	S	*	.	H	α-helix	trans	-59.4	-39.8	177.6	-74	177.3	-7.5	0	0	113.4	K610 S611 Y612 R618	K610-Q614 WeakPolarHBondContact O-CG 3.36Å; K610-Q614 PolarHBondContact O-N 2.92Å; S611-Q614 PolarHBondContact O-N 3.22Å; Y612-Q614 PolarHBondContact O-N 2.99Å; Q614-R618 WeakPolarHBondContact O-CG 3.26Å
615	Q	81.1	Confident	77.5	Confident	82 Å²	82	93.3 Å²	93.3	38%	0.383	46%	0.456	S	S	.	.	H	α-helix	trans	-71.2	-43.6	175.8	-71.5	-179.4	7	0	0	111.5	S611 Y612 A613 D617 R618 F619 L637	S611-Q615 WeakPolarHBondContact O-CG 3.41Å; S611-Q615 PolarHBondContact O-N 3.22Å; Y612-Q615 PolarHBondContact O-N 3.34Å; A613-Q615 VanDerWaalsContact C-N 3.34Å; A613-Q615 PolarHBondContact O-N 3.04Å; Q615-D617 VanDerWaalsContact C-N 3.33Å; Q615-D617 PolarHBondContact O-N 2.75Å; Q615-R618 WeakPolarHBondContact O-CB 3.26Å; Q615-R618 PolarHBondContact O-N 3.36Å; Q615-F619 WeakPolarHBondContact O-CD2 3.13Å; Q615-F619 PolarHBondContact O-N 3.45Å; Q615-L637 HydrophobicContact CB-CD1 4.21Å; Q615-L637 HydrophobicContact CB-CD2 4.34Å
616	S	77.9	Confident	76	Confident	23 Å²	23	101.2 Å²	101.2	16%	0.161	49%	0.492	C	S	.	.	H	α-helix	trans	-63.5	-37.2	-179.3	76	0	0	0	0	112.8	Y612 A613 F619 R620	Y612-S616 VanDerWaalsContact O-CB 3.31Å; Y612-S616 WeakPolarHBondContact O-CB 3.34Å; Y612-S616 PolarHBondContact O-N 2.99Å; Y612-S616 PolarHBondContact O-OG 2.87Å; A613-S616 PolarHBondContact O-N 3.31Å; A613-S616 PolarHBondContact O-OG 3.3Å; S616-F619 PolarHBondContact O-N 2.98Å; S616-R620 PolarHBondContact O-N 3Å; S616-R620 VanDerWaalsContact O-N 3.08Å
617	D	76.9	Confident	74.4	Confident	90 Å²	90	103.6 Å²	103.6	48%	0.481	50%	0.502	S	S	.	.	H	α-helix	trans	-63.5	-43.6	176.4	-77.7	-25.9	0	0	0	110.7	A613 Q615 F619 R620	A613-D617 PolarHBondContact O-N 3.49Å; Q615-D617 VanDerWaalsContact C-N 3.33Å; Q615-D617 PolarHBondContact O-N 2.75Å; D617-F619 PolarHBondContact O-N 3.21Å; D617-R620 WeakPolarHBondContact O-CB 3.06Å; D617-R620 PolarHBondContact O-N 3.34Å; D617-R620 VanDerWaalsContact O-N 3.13Å
618	R	72.2	Confident	73	Confident	179 Å²	179	105.9 Å²	105.9	68%	0.675	51%	0.513	S	S	*	.	H	α-helix	trans	-59	-35.1	174.8	-70.4	180	-173.5	-178.5	2	112.7	Q614 Q615 Y622	Q614-R618 WeakPolarHBondContact O-CG 3.26Å; Q615-R618 WeakPolarHBondContact O-CB 3.26Å; Q615-R618 PolarHBondContact O-N 3.36Å; R618-Y622 WeakPolarHBondContact O-CD2 3.12Å; R618-Y622 WeakPolarHBondContact O-CE2 3.43Å
619	F	67.1	Low	71.9	Confident	58 Å²	58	107.9 Å²	107.9	25%	0.254	53%	0.528	S	S	.	.	H	α-helix	trans	-79.2	-22.4	178.8	-77.7	-73.3	0	0	0	114	Q615 S616 D617 D621 Y622 R623 H633 F634 L637	Q615-F619 WeakPolarHBondContact O-CD2 3.13Å; Q615-F619 PolarHBondContact O-N 3.45Å; S616-F619 PolarHBondContact O-N 2.98Å; D617-F619 PolarHBondContact O-N 3.21Å; F619-D621 PolarHBondContact O-N 3.42Å; F619-Y622 HydrophobicContact CD1-CD2 4.33Å; F619-Y622 PolarHBondContact O-N 3.26Å; F619-R623 PolarHBondContact O-N 3.4Å; F619-H633 HydrophobicContact CE1-CB 4.33Å; F619-F634 HydrophobicContact CB-CD2 4.25Å; F619-F634 HydrophobicContact CB-CE2 4.17Å; F619-L637 HydrophobicContact CD2-CD1 3.51Å; F619-L637 HydrophobicContact CE2-CD1 3.3Å; F619-L637 HydrophobicContact CZ-CD1 4.27Å
620	R	67.7	Low	70.9	Confident	185 Å²	185	103.4 Å²	103.4	70%	0.698	51%	0.509	S	S	*	.	H	α-helix	trans	-60.8	-38.5	176.8	-132	176.7	-176.5	178.2	-1.1	111.3	S616 D617 R623	S616-R620 PolarHBondContact O-N 3Å; S616-R620 VanDerWaalsContact O-N 3.08Å; D617-R620 WeakPolarHBondContact O-CB 3.06Å; D617-R620 PolarHBondContact O-N 3.34Å; D617-R620 VanDerWaalsContact O-N 3.13Å; R620-R623 PolarHBondContact O-N 2.93Å
621	D	64.6	Low	70.2	Confident	129 Å²	129	99.6 Å²	99.6	69%	0.69	50%	0.498	S	S	*	.	H	α-helix	trans	-63.9	-38.7	176.3	-62.9	-24.3	0	0	0	112.2	F619	F619-D621 PolarHBondContact O-N 3.42Å
622	Y	64.5	Low	69.7	Low	151 Å²	151	104.1 Å²	104.1	59%	0.592	51%	0.513	S	S	*	.	H	α-helix	trans	-74.2	-31.2	177.8	-67.8	-72.7	0	0	0	113.4	R618 F619 A624 A625	R618-Y622 WeakPolarHBondContact O-CD2 3.12Å; R618-Y622 WeakPolarHBondContact O-CE2 3.43Å; F619-Y622 HydrophobicContact CD1-CD2 4.33Å; F619-Y622 PolarHBondContact O-N 3.26Å; Y622-A624 PolarHBondContact O-N 3.25Å; Y622-A625 WeakPolarHBondContact O-CB 3.21Å; Y622-A625 PolarHBondContact O-N 3.06Å
623	R	55.4	Low	69.2	Low	135 Å²	135	106.4 Å²	106.4	51%	0.509	53%	0.526	S	S	.	.	H	α-helix	trans	-67.1	-28.2	-179.5	-147.2	178.1	-168.6	173.9	3.7	112.2	F619 R620 A625 Q626 V630	F619-R623 PolarHBondContact O-N 3.4Å; R620-R623 PolarHBondContact O-N 2.93Å; R623-A625 PolarHBondContact O-N 3.39Å; R623-Q626 PolarHBondContact O-N 3.4Å; R623-V630 HydrophobicContact CB-CG1 4.09Å; R623-V630 HydrophobicContact CG-CG1 3.98Å
624	A	59.8	Low	68.8	Low	88 Å²	88	106.4 Å²	106.4	73%	0.727	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-20.7	171.5	0	0	0	0	0	112.9	Y622 Q626	Y622-A624 PolarHBondContact O-N 3.25Å; A624-Q626 VanDerWaalsContact C-N 3.35Å; A624-Q626 PolarHBondContact O-N 3.49Å
625	A	62.5	Low	68.6	Low	68 Å²	68	105.8 Å²	105.8	56%	0.562	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	11.7	-178.9	0	0	0	0	0	114.9	Y622 R623 M627	Y622-A625 WeakPolarHBondContact O-CB 3.21Å; Y622-A625 PolarHBondContact O-N 3.06Å; R623-A625 PolarHBondContact O-N 3.39Å; A625-M627 VanDerWaalsContact C-N 3.35Å; A625-M627 PolarHBondContact O-N 3.11Å
626	Q	57.8	Low	68.7	Low	188 Å²	188	106.2 Å²	106.2	88%	0.879	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.2	40.5	175.8	-77.7	-171.3	-33.5	0	0	115.7	R623 A624	R623-Q626 PolarHBondContact O-N 3.4Å; A624-Q626 VanDerWaalsContact C-N 3.35Å; A624-Q626 PolarHBondContact O-N 3.49Å
627	M	57	Low	68.9	Low	127 Å²	127	105.8 Å²	105.8	63%	0.626	52%	0.523	S	S	*	.			trans	-93.7	121	176	-135	87.3	139.2	0	0	111.4	A625 S629 V630	A625-M627 VanDerWaalsContact C-N 3.35Å; A625-M627 PolarHBondContact O-N 3.11Å; M627-S629 WeakPolarHBondContact CG-OG 3.35Å; M627-S629 PolarHBondContact O-N 2.98Å; M627-V630 HydrophobicContact CB-CG2 3.92Å; M627-V630 WeakPolarHBondContact O-CB 3.34Å; M627-V630 PolarHBondContact O-N 2.91Å; M627-V630 VanDerWaalsContact O-N 3.08Å
628	E	61.2	Low	69.3	Low	180 Å²	180	103.9 Å²	103.9	84%	0.841	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-20.9	176.9	-155.8	171.8	-159.5	0	0	112.9	V630 T631	E628-V630 VanDerWaalsContact C-N 3.31Å; E628-V630 PolarHBondContact O-N 3.41Å; E628-T631 PolarHBondContact O-OG1 2.91Å
629	S	67.9	Low	69.9	Low	55 Å²	55	97.1 Å²	97.1	39%	0.385	50%	0.502	S	S	.	.	H	α-helix	trans	-68.8	-23.5	173.8	61.3	0	0	0	0	114	M627 H633	M627-S629 WeakPolarHBondContact CG-OG 3.35Å; M627-S629 PolarHBondContact O-N 2.98Å; S629-H633 PolarHBondContact O-CD2 3.42Å; S629-H633 PolarHBondContact O-N 3.14Å
630	V	67.6	Low	70.8	Confident	11 Å²	11	96.7 Å²	96.7	7%	0.067	51%	0.506	C	S	.	.	H	α-helix	trans	-72.3	-32.4	-174.4	174.3	0	0	0	0	112	R623 M627 E628 H633 F634	R623-V630 HydrophobicContact CB-CG1 4.09Å; R623-V630 HydrophobicContact CG-CG1 3.98Å; M627-V630 HydrophobicContact CB-CG2 3.92Å; M627-V630 WeakPolarHBondContact O-CB 3.34Å; M627-V630 PolarHBondContact O-N 2.91Å; M627-V630 VanDerWaalsContact O-N 3.08Å; E628-V630 VanDerWaalsContact C-N 3.31Å; E628-V630 PolarHBondContact O-N 3.41Å; V630-H633 PolarHBondContact O-N 3.3Å; V630-F634 PolarHBondContact O-N 3.31Å
631	T	72.7	Confident	71.8	Confident	64 Å²	64	90.9 Å²	90.9	39%	0.393	49%	0.485	S	S	.	.	H	α-helix	trans	-66.2	-45.8	177.7	42.3	0	0	0	0	111.9	E628 H633 F634 D635	E628-T631 PolarHBondContact O-OG1 2.91Å; T631-H633 VanDerWaalsContact C-N 3.29Å; T631-H633 PolarHBondContact O-N 3.29Å; T631-F634 PolarHBondContact O-N 2.99Å; T631-F634 VanDerWaalsContact O-N 3.1Å; T631-D635 PolarHBondContact O-N 2.64Å
632	Q	75.2	Confident	72.8	Confident	147 Å²	147	86.2 Å²	86.2	69%	0.687	47%	0.467	S	S	*	.	H	α-helix	trans	-60.2	-39.7	174.3	-71.4	-175.3	-8	0	0	111.9	T636	Q632-T636 PolarHBondContact O-N 3.14Å; Q632-T636 PolarHBondContact O-OG1 3.44Å
633	H	75.3	Confident	74.1	Confident	102 Å²	102	84.4 Å²	84.4	47%	0.472	46%	0.464	S	S	.	.	H	α-helix	trans	-64.8	-37.6	173.9	-77.5	-55.5	0	0	0	112.8	F619 S629 V630 T631 T636 L637	F619-H633 HydrophobicContact CE1-CB 4.33Å; S629-H633 PolarHBondContact O-CD2 3.42Å; S629-H633 PolarHBondContact O-N 3.14Å; V630-H633 PolarHBondContact O-N 3.3Å; T631-H633 VanDerWaalsContact C-N 3.29Å; T631-H633 PolarHBondContact O-N 3.29Å; H633-T636 VanDerWaalsContact C-OG1 3.31Å; H633-T636 VanDerWaalsContact CA-OG1 3.25Å; H633-T636 WeakPolarHBondContact CA-OG1 3.48Å; H633-T636 PolarHBondContact O-OG1 2.98Å; H633-L637 WeakPolarHBondContact O-CB 3.34Å; H633-L637 PolarHBondContact O-N 3.5Å
634	F	76.9	Confident	75.6	Confident	42 Å²	42	82.3 Å²	82.3	18%	0.184	46%	0.46	C	S	.	.	H	α-helix	trans	-68.4	-42	177.7	-141.5	-83.6	0	0	0	112.2	F619 V630 T631 L637 C638	F619-F634 HydrophobicContact CB-CD2 4.25Å; F619-F634 HydrophobicContact CB-CE2 4.17Å; V630-F634 PolarHBondContact O-N 3.31Å; T631-F634 PolarHBondContact O-N 2.99Å; T631-F634 VanDerWaalsContact O-N 3.1Å; F634-L637 PolarHBondContact O-N 3.07Å; F634-C638 WeakPolarHBondContact O-CB 3.15Å; F634-C638 PolarHBondContact O-N 3.2Å; F634-C638 PolarHBondContact O-SG 3.19Å; F634-C638 VanDerWaalsContact O-SG 3.38Å
635	D	80.2	Confident	77	Confident	118 Å²	118	79.6 Å²	79.6	63%	0.631	44%	0.438	S	S	*	.	H	α-helix	trans	-64.1	-40.7	176.5	-75.3	-23.2	0	0	0	111.7	T631 L637 G639	T631-D635 PolarHBondContact O-N 2.64Å; D635-L637 VanDerWaalsContact C-N 3.34Å; D635-G639 PolarHBondContact O-N 2.98Å
636	T	83.2	Confident	78.3	Confident	90 Å²	90	79.1 Å²	79.1	55%	0.552	43%	0.428	S	S	*	.	H	α-helix	trans	-64.8	-37.3	172.9	43	0	0	0	0	112	Q632 H633 G639 S640	Q632-T636 PolarHBondContact O-N 3.14Å; Q632-T636 PolarHBondContact O-OG1 3.44Å; H633-T636 VanDerWaalsContact C-OG1 3.31Å; H633-T636 VanDerWaalsContact CA-OG1 3.25Å; H633-T636 WeakPolarHBondContact CA-OG1 3.48Å; H633-T636 PolarHBondContact O-OG1 2.98Å; T636-G639 PolarHBondContact O-N 3.31Å; T636-S640 WeakPolarHBondContact O-CB 3.11Å; T636-S640 PolarHBondContact O-N 3Å
637	L	81.8	Confident	79.9	Confident	15 Å²	15	78 Å²	78	8%	0.079	42%	0.416	C	S	.	.	H	α-helix	trans	-67.5	-47.3	176.8	-145.6	153.8	0	0	0	111.5	Y612 Q615 F619 H633 F634 D635 G639 S640 Y641	Y612-L637 HydrophobicContact CD2-CD2 3.43Å; Y612-L637 VanDerWaalsContact CD2-CD2 3.43Å; Y612-L637 HydrophobicContact CE2-CD2 3.33Å; Q615-L637 HydrophobicContact CB-CD1 4.21Å; Q615-L637 HydrophobicContact CB-CD2 4.34Å; F619-L637 HydrophobicContact CD2-CD1 3.51Å; F619-L637 HydrophobicContact CE2-CD1 3.3Å; F619-L637 HydrophobicContact CZ-CD1 4.27Å; H633-L637 WeakPolarHBondContact O-CB 3.34Å; H633-L637 PolarHBondContact O-N 3.5Å; F634-L637 PolarHBondContact O-N 3.07Å; D635-L637 VanDerWaalsContact C-N 3.34Å; L637-G639 PolarHBondContact O-N 3.06Å; L637-S640 PolarHBondContact O-N 2.95Å; L637-S640 PolarHBondContact O-OG 3.18Å; L637-Y641 PolarHBondContact O-N 3Å
638	C	83.8	Confident	81.4	Confident	50 Å²	50	73 Å²	73	34%	0.338	39%	0.392	S	S	.	.	H	α-helix	trans	-58.6	-45.2	172.6	-73.8	0	0	0	0	112	Y612 F634 S640 Y641 G642	Y612-C638 PolarHBondContact OH-SG 2.91Å; F634-C638 WeakPolarHBondContact O-CB 3.15Å; F634-C638 PolarHBondContact O-N 3.2Å; F634-C638 PolarHBondContact O-SG 3.19Å; F634-C638 VanDerWaalsContact O-SG 3.38Å; C638-S640 VanDerWaalsContact C-N 3.34Å; C638-S640 PolarHBondContact O-N 3.34Å; C638-Y641 PolarHBondContact O-N 3.45Å; C638-G642 PolarHBondContact O-N 3.35Å
639	G	86.2	Confident	82.8	Confident	37 Å²	37	70.8 Å²	70.8	38%	0.381	38%	0.375	S	S	.	.	H	α-helix	trans	-60.1	-43.1	174.6	0	0	0	0	0	112	D635 T636 L637 G642 Q643	D635-G639 PolarHBondContact O-N 2.98Å; T636-G639 PolarHBondContact O-N 3.31Å; L637-G639 PolarHBondContact O-N 3.06Å; G639-G642 PolarHBondContact O-N 2.96Å; G639-Q643 WeakPolarHBondContact O-CB 3.18Å; G639-Q643 WeakPolarHBondContact O-CG 3.2Å; G639-Q643 PolarHBondContact O-N 2.92Å
640	S	85.9	Confident	83.9	Confident	48 Å²	48	71.1 Å²	71.1	34%	0.336	37%	0.373	S	S	.	.	H	α-helix	trans	-65.7	-42.7	177.9	82.6	0	0	0	0	112.4	T636 L637 C638 Q643 Q644	T636-S640 WeakPolarHBondContact O-CB 3.11Å; T636-S640 PolarHBondContact O-N 3Å; L637-S640 PolarHBondContact O-N 2.95Å; L637-S640 PolarHBondContact O-OG 3.18Å; C638-S640 VanDerWaalsContact C-N 3.34Å; C638-S640 PolarHBondContact O-N 3.34Å; S640-Q643 PolarHBondContact O-N 3.12Å; S640-Q644 WeakPolarHBondContact O-CG 3.37Å; S640-Q644 PolarHBondContact O-N 3Å
641	Y	87.3	Confident	85.1	Confident	63 Å²	63	76.2 Å²	76.2	25%	0.247	39%	0.392	C	S	.	.	H	α-helix	trans	-63.6	-46.1	175.4	174.2	-94.8	0	0	0	111	L608 Y612 L637 C638 Q643 Q644 A645	L608-Y641 HydrophobicContact CB-CE2 4.47Å; L608-Y641 HydrophobicContact CD1-CD2 4.26Å; L608-Y641 HydrophobicContact CD2-CD2 3.79Å; L608-Y641 HydrophobicContact CD2-CE2 3.57Å; L608-Y641 HydrophobicContact CG-CD2 3.72Å; L608-Y641 HydrophobicContact CG-CE2 3.54Å; Y612-Y641 AromaticContact CD2-CD2 3.73Å; Y612-Y641 HydrophobicContact CD2-CD2 3.73Å; Y612-Y641 AromaticContact CD2-CG 3.77Å; Y612-Y641 HydrophobicContact CD2-CG 3.77Å; Y612-Y641 HydrophobicContact CE2-CG 4.21Å; Y612-Y641 AromaticContact CG-CD2 3.77Å; Y612-Y641 HydrophobicContact CG-CD2 3.77Å; Y612-Y641 HydrophobicContact CG-CE2 4.18Å; Y612-Y641 HydrophobicContact CG-CG 4.18Å; L637-Y641 PolarHBondContact O-N 3Å; C638-Y641 PolarHBondContact O-N 3.45Å; Y641-Q643 VanDerWaalsContact C-N 3.31Å; Y641-Q643 PolarHBondContact O-N 2.02Å; Y641-Q644 PolarHBondContact O-N 3.14Å; Y641-Q644 VanDerWaalsContact O-N 3.15Å; Y641-A645 WeakPolarHBondContact O-CB 3.2Å; Y641-A645 PolarHBondContact O-N 3.48Å
642	G	86.8	Confident	85.9	Confident	32 Å²	32	73.7 Å²	73.7	33%	0.33	38%	0.378	S	S	.	.	H	α-helix	trans	-57.4	-44.2	175.6	0	0	0	0	0	111.9	C638 G639 T646	C638-G642 PolarHBondContact O-N 3.35Å; G639-G642 PolarHBondContact O-N 2.96Å; G642-T646 WeakPolarHBondContact O-CG2 3.38Å; G642-T646 PolarHBondContact O-N 3.3Å; G642-T646 PolarHBondContact O-OG1 3.01Å; G642-T646 VanDerWaalsContact O-OG1 3.05Å
643	Q	91.3	Very high	86.6	Confident	113 Å²	113	70.3 Å²	70.3	53%	0.528	37%	0.37	S	S	.	.	H	α-helix	trans	-66.5	-37.1	174.9	-75	-174.6	12.9	0	0	113.4	G639 S640 Y641 T646 R647	G639-Q643 WeakPolarHBondContact O-CB 3.18Å; G639-Q643 WeakPolarHBondContact O-CG 3.2Å; G639-Q643 PolarHBondContact O-N 2.92Å; S640-Q643 PolarHBondContact O-N 3.12Å; Y641-Q643 VanDerWaalsContact C-N 3.31Å; Y641-Q643 PolarHBondContact O-N 2.02Å; Q643-T646 WeakPolarHBondContact CA-OG1 3.4Å; Q643-T646 PolarHBondContact O-OG1 3.33Å; Q643-R647 VanDerWaalsContact O-CG 3.22Å; Q643-R647 WeakPolarHBondContact O-CG 3.4Å; Q643-R647 PolarHBondContact O-N 2.7Å; Q643-R647 VanDerWaalsContact O-N 3.11Å
644	Q	87.9	Confident	87.4	Confident	91 Å²	91	72.6 Å²	72.6	43%	0.425	38%	0.375	S	S	.	.	H	α-helix	trans	-70.5	-42.1	177	-74.5	-177.7	4.3	0	0	111.4	L608 S640 Y641 T646 R647 I648	L608-Q644 HydrophobicContact CD1-CB 3.73Å; L608-Q644 HydrophobicContact CD1-CG 4.48Å; L608-Q644 HydrophobicContact CD2-CB 4.16Å; S640-Q644 WeakPolarHBondContact O-CG 3.37Å; S640-Q644 PolarHBondContact O-N 3Å; Y641-Q644 PolarHBondContact O-N 3.14Å; Y641-Q644 VanDerWaalsContact O-N 3.15Å; Q644-T646 PolarHBondContact O-N 2.86Å; Q644-R647 WeakPolarHBondContact O-CB 3.22Å; Q644-R647 PolarHBondContact O-N 3.3Å; Q644-I648 WeakPolarHBondContact O-CG1 3.02Å; Q644-I648 PolarHBondContact O-N 2.83Å
645	A	88.3	Confident	88.1	Confident	31 Å²	31	73.1 Å²	73.1	26%	0.256	38%	0.377	S	S	.	.	H	α-helix	trans	-62.7	-42.1	176.8	0	0	0	0	0	111.9	L608 Y641 I648 R649	L608-A645 HydrophobicContact CD2-CB 3.87Å; Y641-A645 WeakPolarHBondContact O-CB 3.2Å; Y641-A645 PolarHBondContact O-N 3.48Å; A645-I648 PolarHBondContact O-N 2.86Å; A645-R649 WeakPolarHBondContact O-CB 3.38Å; A645-R649 PolarHBondContact O-N 3.13Å
646	T	89.9	Confident	88.6	Confident	57 Å²	57	69.9 Å²	69.9	35%	0.35	36%	0.359	S	S	.	.	H	α-helix	trans	-63.6	-42	174.2	50.4	0	0	0	0	111.5	G642 Q643 Q644 I648 R649 D650	G642-T646 WeakPolarHBondContact O-CG2 3.38Å; G642-T646 PolarHBondContact O-N 3.3Å; G642-T646 PolarHBondContact O-OG1 3.01Å; G642-T646 VanDerWaalsContact O-OG1 3.05Å; Q643-T646 WeakPolarHBondContact CA-OG1 3.4Å; Q643-T646 PolarHBondContact O-OG1 3.33Å; Q644-T646 PolarHBondContact O-N 2.86Å; T646-I648 PolarHBondContact O-N 3.1Å; T646-R649 PolarHBondContact O-N 2.87Å; T646-D650 WeakPolarHBondContact O-CB 3.32Å; T646-D650 PolarHBondContact O-N 3.38Å
647	R	91.6	Very high	89	Confident	164 Å²	164	71.5 Å²	71.5	62%	0.619	36%	0.361	S	S	*	.	H	α-helix	trans	-60.3	-44	175.2	-74.2	173	-168.2	-179.6	6.7	113.1	Q643 Q644 D650 Y651	Q643-R647 VanDerWaalsContact O-CG 3.22Å; Q643-R647 WeakPolarHBondContact O-CG 3.4Å; Q643-R647 PolarHBondContact O-N 2.7Å; Q643-R647 VanDerWaalsContact O-N 3.11Å; Q644-R647 WeakPolarHBondContact O-CB 3.22Å; Q644-R647 PolarHBondContact O-N 3.3Å; R647-D650 PolarHBondContact O-N 3.36Å; R647-Y651 VanDerWaalsContact O-CB 3.26Å; R647-Y651 WeakPolarHBondContact O-CB 3.45Å; R647-Y651 PolarHBondContact O-N 3Å
648	I	88.9	Confident	89.5	Confident	24 Å²	24	78 Å²	78	12%	0.123	38%	0.384	C	S	.	.	H	α-helix	trans	-62.7	-45	178.2	-66.6	167	0	0	0	110.2	Y601 Q604 V605 L608 Q644 A645 T646 Y651 G652	Y601-I648 HydrophobicContact CD2-CG2 3.66Å; Y601-I648 HydrophobicContact CE2-CG2 3.77Å; Q604-I648 HydrophobicContact CB-CD1 4.2Å; Q604-I648 HydrophobicContact CB-CG2 3.92Å; V605-I648 HydrophobicContact CG2-CG2 4.05Å; L608-I648 HydrophobicContact CB-CD1 4.21Å; L608-I648 HydrophobicContact CD2-CD1 3.94Å; L608-I648 HydrophobicContact CG-CD1 4.48Å; Q644-I648 WeakPolarHBondContact O-CG1 3.02Å; Q644-I648 PolarHBondContact O-N 2.83Å; A645-I648 PolarHBondContact O-N 2.86Å; T646-I648 PolarHBondContact O-N 3.1Å; I648-Y651 PolarHBondContact O-N 2.74Å; I648-G652 PolarHBondContact O-N 2.81Å
649	R	89.8	Confident	89.9	Confident	132 Å²	132	76.4 Å²	76.4	50%	0.498	37%	0.372	S	S	.	.	H	α-helix	trans	-61.8	-49.6	176.8	-173.2	-172	66.9	-177.2	-0.5	111.8	Y601 A645 T646 Y651 G652 C653	Y601-R649 HydrophobicContact CE2-CB 4.14Å; A645-R649 WeakPolarHBondContact O-CB 3.38Å; A645-R649 PolarHBondContact O-N 3.13Å; T646-R649 PolarHBondContact O-N 2.87Å; R649-Y651 VanDerWaalsContact C-N 3.27Å; R649-Y651 PolarHBondContact O-N 3.03Å; R649-G652 PolarHBondContact O-N 3.38Å; R649-G652 VanDerWaalsContact O-N 3.17Å; R649-C653 PolarHBondContact O-N 3.42Å; R649-C653 PolarHBondContact O-SG 3.49Å
650	D	92.1	Very high	90.1	Very high	62 Å²	62	80.8 Å²	80.8	33%	0.332	38%	0.377	S	S	.	.	H	α-helix	trans	-64.7	-35.3	-178.5	-66.3	-5.9	0	0	0	111.1	T646 R647 R654	T646-D650 WeakPolarHBondContact O-CB 3.32Å; T646-D650 PolarHBondContact O-N 3.38Å; R647-D650 PolarHBondContact O-N 3.36Å; D650-R654 WeakPolarHBondContact O-CB 3.35Å; D650-R654 VanDerWaalsContact O-CG 3.26Å; D650-R654 WeakPolarHBondContact O-CG 3.29Å; D650-R654 PolarHBondContact O-N 3.07Å
651	Y	91.8	Very high	90.4	Very high	119 Å²	119	83 Å²	83	47%	0.467	38%	0.382	S	S	.	.	H	α-helix	trans	-62.8	-49	171.7	179.5	-95.1	0	0	0	111.7	R647 I648 R649 C653 R654 Q655	R647-Y651 VanDerWaalsContact O-CB 3.26Å; R647-Y651 WeakPolarHBondContact O-CB 3.45Å; R647-Y651 PolarHBondContact O-N 3Å; I648-Y651 PolarHBondContact O-N 2.74Å; R649-Y651 VanDerWaalsContact C-N 3.27Å; R649-Y651 PolarHBondContact O-N 3.03Å; Y651-C653 PolarHBondContact O-N 2.85Å; Y651-R654 PolarHBondContact O-N 3.01Å; Y651-Q655 HydrophobicContact CD1-CG 4.16Å; Y651-Q655 HydrophobicContact CE1-CG 3.73Å; Y651-Q655 HydrophobicContact CE2-CG 4.34Å; Y651-Q655 WeakPolarHBondContact O-CG 2.92Å; Y651-Q655 PolarHBondContact O-N 2.91Å; Y651-Q655 PolarHBondContact OH-NE2 3.39Å
652	G	89.2	Confident	90.6	Very high	11 Å²	11	81.7 Å²	81.7	11%	0.113	38%	0.383	C	S	.	.	H	α-helix	trans	-57.3	-47	176.4	0	0	0	0	0	112.5	I648 R649 R654 Q655 M656	I648-G652 PolarHBondContact O-N 2.81Å; R649-G652 PolarHBondContact O-N 3.38Å; R649-G652 VanDerWaalsContact O-N 3.17Å; G652-R654 PolarHBondContact O-N 3.18Å; G652-Q655 PolarHBondContact O-N 2.95Å; G652-M656 WeakPolarHBondContact O-CB 3.39Å; G652-M656 PolarHBondContact O-N 3.02Å
653	C	90.2	Very high	90.8	Very high	76 Å²	76	81.7 Å²	81.7	51%	0.514	37%	0.373	S	S	.	.	H	α-helix	trans	-58.8	-47.2	175.9	-71.5	0	0	0	0	112.1	R649 Y651 Q655 M656 E657	R649-C653 PolarHBondContact O-N 3.42Å; R649-C653 PolarHBondContact O-SG 3.49Å; Y651-C653 PolarHBondContact O-N 2.85Å; C653-Q655 VanDerWaalsContact C-N 3.33Å; C653-Q655 PolarHBondContact O-N 2.57Å; C653-M656 PolarHBondContact O-N 2.96Å; C653-E657 WeakPolarHBondContact O-CB 3.26Å; C653-E657 PolarHBondContact O-N 2.91Å
654	R	92.9	Very high	90.6	Very high	150 Å²	150	79.8 Å²	79.8	57%	0.566	36%	0.364	S	S	*	.	H	α-helix	trans	-63	-38	177.9	-72.7	176.8	-156.7	167.3	6.9	112.6	D650 Y651 G652 M656 R658	D650-R654 WeakPolarHBondContact O-CB 3.35Å; D650-R654 VanDerWaalsContact O-CG 3.26Å; D650-R654 WeakPolarHBondContact O-CG 3.29Å; D650-R654 PolarHBondContact O-N 3.07Å; Y651-R654 PolarHBondContact O-N 3.01Å; G652-R654 PolarHBondContact O-N 3.18Å; R654-M656 VanDerWaalsContact C-N 3.34Å; R654-R658 VanDerWaalsContact O-CG 3.29Å; R654-R658 WeakPolarHBondContact O-CG 3.27Å; R654-R658 PolarHBondContact O-N 3.05Å; R654-R658 VanDerWaalsContact O-N 3.1Å
655	Q	92.2	Very high	90.7	Very high	52 Å²	52	82 Å²	82	24%	0.243	37%	0.369	C	S	.	.	H	α-helix	trans	-65.3	-41.9	175.7	-71.4	-63.8	-18.3	0	0	111.3	I597 Y651 G652 C653 R658 L659	I597-Q655 HydrophobicContact CD1-CB 4.06Å; I597-Q655 HydrophobicContact CG1-CB 4.42Å; I597-Q655 HydrophobicContact CG2-CB 4.19Å; Y651-Q655 HydrophobicContact CD1-CG 4.16Å; Y651-Q655 HydrophobicContact CE1-CG 3.73Å; Y651-Q655 HydrophobicContact CE2-CG 4.34Å; Y651-Q655 WeakPolarHBondContact O-CG 2.92Å; Y651-Q655 PolarHBondContact O-N 2.91Å; Y651-Q655 PolarHBondContact OH-NE2 3.39Å; G652-Q655 PolarHBondContact O-N 2.95Å; C653-Q655 VanDerWaalsContact C-N 3.33Å; C653-Q655 PolarHBondContact O-N 2.57Å; Q655-R658 PolarHBondContact O-N 2.98Å; Q655-L659 WeakPolarHBondContact O-CB 2.95Å; Q655-L659 PolarHBondContact O-N 2.85Å
656	M	88.8	Confident	90.7	Very high	51 Å²	51	83.8 Å²	83.8	25%	0.251	37%	0.371	S	S	.	.	H	α-helix	trans	-65.2	-41.8	178.9	-165.3	59.4	-173.2	0	0	112.1	Y590 M594 I597 G652 C653 R654 L659 W660	Y590-M656 VanDerWaalsContact OH-CE 3.3Å; Y590-M656 WeakPolarHBondContact OH-CE 3.43Å; M594-M656 HydrophobicContact CB-CE 4.02Å; M594-M656 HydrophobicContact CB-SD 4.33Å; M594-M656 HydrophobicContact CG-CE 3.31Å; M594-M656 HydrophobicContact CG-SD 3.86Å; M594-M656 HydrophobicContact SD-CE 3.25Å; M594-M656 WeakPolarHBondContact SD-CE 3.08Å; I597-M656 HydrophobicContact CD1-SD 4.42Å; G652-M656 WeakPolarHBondContact O-CB 3.39Å; G652-M656 PolarHBondContact O-N 3.02Å; C653-M656 PolarHBondContact O-N 2.96Å; R654-M656 VanDerWaalsContact C-N 3.34Å; M656-L659 PolarHBondContact O-N 3.41Å; M656-L659 HydrophobicContact SD-CD2 4.26Å; M656-W660 WeakPolarHBondContact O-CB 3.01Å; M656-W660 PolarHBondContact O-N 3.37Å
657	E	92.3	Very high	90.5	Very high	124 Å²	124	81.8 Å²	81.8	58%	0.579	36%	0.359	S	S	*	.	H	α-helix	trans	-62.6	-44.9	176.2	-166.8	168.2	-151.8	0	0	111.6	C653 L659 W660 E661	C653-E657 WeakPolarHBondContact O-CB 3.26Å; C653-E657 PolarHBondContact O-N 2.91Å; E657-L659 VanDerWaalsContact C-N 3.34Å; E657-L659 PolarHBondContact O-N 3.11Å; E657-W660 PolarHBondContact O-N 3.1Å; E657-E661 WeakPolarHBondContact O-CG 3.43Å; E657-E661 PolarHBondContact O-N 2.98Å
658	R	93	Very high	90.1	Very high	150 Å²	150	77.7 Å²	77.7	57%	0.566	35%	0.349	S	S	*	.	H	α-helix	trans	-61.1	-41.1	173.8	-72.3	173.3	-174.9	176.7	0.2	112.7	R654 Q655 S662	R654-R658 VanDerWaalsContact O-CG 3.29Å; R654-R658 WeakPolarHBondContact O-CG 3.27Å; R654-R658 PolarHBondContact O-N 3.05Å; R654-R658 VanDerWaalsContact O-N 3.1Å; Q655-R658 PolarHBondContact O-N 2.98Å; R658-S662 VanDerWaalsContact O-CB 3.32Å; R658-S662 WeakPolarHBondContact O-CB 2.96Å; R658-S662 PolarHBondContact O-N 3.34Å
659	L	91.3	Very high	89.9	Confident	18 Å²	18	85.2 Å²	85.2	9%	0.094	38%	0.376	C	S	.	.	H	α-helix	trans	-62.6	-45.8	177.1	180	66.3	0	0	0	110.4	Y590 R593 M594 I597 Q655 M656 E657 S662 Y663	Y590-L659 HydrophobicContact CD2-CD1 4.38Å; Y590-L659 HydrophobicContact CD2-CD2 3.98Å; Y590-L659 HydrophobicContact CD2-CG 3.8Å; Y590-L659 HydrophobicContact CE2-CD2 3.91Å; Y590-L659 HydrophobicContact CE2-CG 3.84Å; R593-L659 HydrophobicContact CB-CD1 3.76Å; R593-L659 HydrophobicContact CB-CD2 3.89Å; R593-L659 HydrophobicContact CG-CD1 4.45Å; M594-L659 HydrophobicContact CB-CD2 4.01Å; I597-L659 HydrophobicContact CD1-CB 4.23Å; I597-L659 HydrophobicContact CD1-CD2 3.88Å; Q655-L659 WeakPolarHBondContact O-CB 2.95Å; Q655-L659 PolarHBondContact O-N 2.85Å; M656-L659 PolarHBondContact O-N 3.41Å; M656-L659 HydrophobicContact SD-CD2 4.26Å; E657-L659 VanDerWaalsContact C-N 3.34Å; E657-L659 PolarHBondContact O-N 3.11Å; L659-S662 WeakPolarHBondContact O-CB 3.16Å; L659-S662 PolarHBondContact O-N 3.04Å; L659-Y663 WeakPolarHBondContact O-CB 3.42Å; L659-Y663 PolarHBondContact O-N 2.66Å
660	W	90.7	Very high	89.5	Confident	128 Å²	128	80.4 Å²	80.4	49%	0.485	36%	0.36	S	S	.	.	H	α-helix	trans	-61.8	-47.9	177.4	178.1	-108.7	0	0	0	112.5	Y590 M656 E657 S662 Y663 Q664	Y590-W660 HydrophobicContact CE2-CE3 4.05Å; Y590-W660 AromaticContact CZ-CE3 3.84Å; M656-W660 WeakPolarHBondContact O-CB 3.01Å; M656-W660 PolarHBondContact O-N 3.37Å; E657-W660 PolarHBondContact O-N 3.1Å; W660-S662 VanDerWaalsContact C-N 3.27Å; W660-S662 PolarHBondContact O-N 2.68Å; W660-Y663 HydrophobicContact CE3-CD1 4.15Å; W660-Y663 HydrophobicContact CZ3-CD1 4.02Å; W660-Y663 HydrophobicContact CZ3-CE1 4.25Å; W660-Y663 WeakPolarHBondContact O-CB 3.4Å; W660-Y663 PolarHBondContact O-N 2.86Å; W660-Q664 WeakPolarHBondContact O-CB 3.11Å; W660-Q664 PolarHBondContact O-N 2.91Å
661	E	92.9	Very high	88.8	Confident	95 Å²	95	84.8 Å²	84.8	44%	0.444	37%	0.372	S	S	.	.	H	α-helix	trans	-59.7	-39.3	176	-74.6	-177.6	176.5	0	0	112.6	E657 R665	E657-E661 WeakPolarHBondContact O-CG 3.43Å; E657-E661 PolarHBondContact O-N 2.98Å; E661-R665 WeakPolarHBondContact O-CB 3.4Å; E661-R665 WeakPolarHBondContact O-CG 3.5Å; E661-R665 PolarHBondContact O-N 2.88Å; E661-R665 PolarHBondContact O-NE 3.12Å; E661-R665 IonicContact OE2-NH2 3.43Å; E661-R665 PolarHBondContact OE2-NH2 3.39Å
662	S	90.3	Very high	88.2	Confident	36 Å²	36	83.1 Å²	83.1	25%	0.252	37%	0.374	S	S	.	.	H	α-helix	trans	-64.9	-47.4	177.2	-174.4	0	0	0	0	111.1	R658 L659 W660 Q664 R665 Q666	R658-S662 VanDerWaalsContact O-CB 3.32Å; R658-S662 WeakPolarHBondContact O-CB 2.96Å; R658-S662 PolarHBondContact O-N 3.34Å; L659-S662 WeakPolarHBondContact O-CB 3.16Å; L659-S662 PolarHBondContact O-N 3.04Å; W660-S662 VanDerWaalsContact C-N 3.27Å; W660-S662 PolarHBondContact O-N 2.68Å; S662-Q664 VanDerWaalsContact C-N 3.34Å; S662-Q664 PolarHBondContact O-N 3.17Å; S662-R665 PolarHBondContact O-N 3.42Å; S662-Q666 WeakPolarHBondContact O-CG 3.41Å; S662-Q666 PolarHBondContact O-N 3.43Å
663	Y	90.6	Very high	87.7	Confident	31 Å²	31	87.2 Å²	87.2	12%	0.122	39%	0.389	C	S	.	.	H	α-helix	trans	-57	-47.3	175	176.2	-109.5	0	0	0	111.4	L586 Y590 L659 W660 R665 Q666 L667	L586-Y663 HydrophobicContact CB-CE2 4.36Å; L586-Y663 HydrophobicContact CD2-CD2 3.63Å; L586-Y663 HydrophobicContact CD2-CE2 3.32Å; L586-Y663 HydrophobicContact CG-CD2 3.88Å; L586-Y663 HydrophobicContact CG-CE2 3.7Å; Y590-Y663 HydrophobicContact CD2-CD1 4.4Å; Y590-Y663 HydrophobicContact CD2-CD2 4.19Å; Y590-Y663 AromaticContact CD2-CG 3.89Å; Y590-Y663 HydrophobicContact CD2-CG 3.89Å; Y590-Y663 AromaticContact CG-CD2 3.98Å; Y590-Y663 HydrophobicContact CG-CD2 3.98Å; Y590-Y663 HydrophobicContact CG-CE2 4.35Å; Y590-Y663 HydrophobicContact CG-CG 4.07Å; L659-Y663 WeakPolarHBondContact O-CB 3.42Å; L659-Y663 PolarHBondContact O-N 2.66Å; W660-Y663 HydrophobicContact CE3-CD1 4.15Å; W660-Y663 HydrophobicContact CZ3-CD1 4.02Å; W660-Y663 HydrophobicContact CZ3-CE1 4.25Å; W660-Y663 WeakPolarHBondContact O-CB 3.4Å; W660-Y663 PolarHBondContact O-N 2.86Å; Y663-R665 PolarHBondContact O-N 2.86Å; Y663-Q666 PolarHBondContact O-N 2.95Å; Y663-Q666 VanDerWaalsContact O-N 3.15Å; Y663-L667 HydrophobicContact CD1-CD1 3.77Å; Y663-L667 HydrophobicContact CE1-CD1 3.2Å; Y663-L667 HydrophobicContact CE1-CG 4.32Å; Y663-L667 HydrophobicContact CE2-CD1 4.22Å; Y663-L667 HydrophobicContact CG-CD1 4.46Å; Y663-L667 VanDerWaalsContact CZ-CD1 3.45Å; Y663-L667 PolarHBondContact O-N 3.32Å
664	Q	88.2	Confident	86.9	Confident	74 Å²	74	85.2 Å²	85.2	35%	0.346	37%	0.374	S	S	.	.	H	α-helix	trans	-64.1	-39.7	179.3	-167.6	71.9	-43	0	0	112.4	W660 S662 Q666 L667 N668	W660-Q664 WeakPolarHBondContact O-CB 3.11Å; W660-Q664 PolarHBondContact O-N 2.91Å; S662-Q664 VanDerWaalsContact C-N 3.34Å; S662-Q664 PolarHBondContact O-N 3.17Å; Q664-Q666 VanDerWaalsContact C-N 3.34Å; Q664-Q666 PolarHBondContact O-N 2.87Å; Q664-L667 PolarHBondContact O-N 3.45Å; Q664-N668 WeakPolarHBondContact O-CB 3.45Å; Q664-N668 PolarHBondContact O-N 2.56Å; Q664-N668 PolarHBondContact O-ND2 2.82Å
665	R	89.5	Confident	85.9	Confident	138 Å²	138	82.3 Å²	82.3	52%	0.521	37%	0.373	S	S	.	.	H	α-helix	trans	-60.7	-42.3	172.9	-82.7	179.7	-88.9	158.8	-15.2	111.8	E661 S662 Y663 N668 R669	E661-R665 WeakPolarHBondContact O-CB 3.4Å; E661-R665 WeakPolarHBondContact O-CG 3.5Å; E661-R665 PolarHBondContact O-N 2.88Å; E661-R665 PolarHBondContact O-NE 3.12Å; E661-R665 IonicContact OE2-NH2 3.43Å; E661-R665 PolarHBondContact OE2-NH2 3.39Å; S662-R665 PolarHBondContact O-N 3.42Å; Y663-R665 PolarHBondContact O-N 2.86Å; R665-N668 PolarHBondContact O-N 2.8Å; R665-R669 WeakPolarHBondContact O-CG 3.18Å; R665-R669 PolarHBondContact O-N 2.03Å; R665-R669 VanDerWaalsContact O-N 3.1Å
666	Q	88.3	Confident	85.2	Confident	67 Å²	67	86.2 Å²	86.2	31%	0.313	39%	0.391	S	S	.	.	H	α-helix	trans	-69.4	-41.4	178.2	-68.2	-177.9	-12.8	0	0	112.2	L586 S662 Y663 Q664 N668 R669 L670	L586-Q666 HydrophobicContact CD1-CB 3.67Å; L586-Q666 HydrophobicContact CD1-CG 4.44Å; L586-Q666 HydrophobicContact CD2-CB 4.37Å; S662-Q666 WeakPolarHBondContact O-CG 3.41Å; S662-Q666 PolarHBondContact O-N 3.43Å; Y663-Q666 PolarHBondContact O-N 2.95Å; Y663-Q666 VanDerWaalsContact O-N 3.15Å; Q664-Q666 VanDerWaalsContact C-N 3.34Å; Q664-Q666 PolarHBondContact O-N 2.87Å; Q666-N668 VanDerWaalsContact C-N 3.32Å; Q666-N668 PolarHBondContact O-N 3.45Å; Q666-R669 WeakPolarHBondContact O-CB 2.99Å; Q666-R669 PolarHBondContact O-N 3.32Å; Q666-L670 PolarHBondContact O-N 3.16Å
667	L	85.8	Confident	84.4	Confident	16 Å²	16	87.4 Å²	87.4	8%	0.084	40%	0.396	C	S	.	.	H	α-helix	trans	-54.6	-47	172.2	-102.3	163.6	0	0	0	112.1	L583 L586 Y663 Q664 L670 R671	L583-L667 HydrophobicContact CD2-CD2 3.6Å; L586-L667 HydrophobicContact CD2-CB 4.49Å; L586-L667 HydrophobicContact CD2-CG 3.77Å; Y663-L667 HydrophobicContact CD1-CD1 3.77Å; Y663-L667 HydrophobicContact CE1-CD1 3.2Å; Y663-L667 HydrophobicContact CE1-CG 4.32Å; Y663-L667 HydrophobicContact CE2-CD1 4.22Å; Y663-L667 HydrophobicContact CG-CD1 4.46Å; Y663-L667 VanDerWaalsContact CZ-CD1 3.45Å; Y663-L667 PolarHBondContact O-N 3.32Å; Q664-L667 PolarHBondContact O-N 3.45Å; L667-L670 PolarHBondContact O-N 2.87Å; L667-R671 WeakPolarHBondContact O-CG 3.4Å; L667-R671 PolarHBondContact O-N 2.92Å
668	N	83.3	Confident	83.4	Confident	77 Å²	77	87 Å²	87	41%	0.412	39%	0.389	S	S	.	.	H	α-helix	trans	-65.2	-38.7	178.7	-76.5	-24.7	0	0	0	112.3	Q664 R665 Q666 L670 R671 T672	Q664-N668 WeakPolarHBondContact O-CB 3.45Å; Q664-N668 PolarHBondContact O-N 2.56Å; Q664-N668 PolarHBondContact O-ND2 2.82Å; R665-N668 PolarHBondContact O-N 2.8Å; Q666-N668 VanDerWaalsContact C-N 3.32Å; Q666-N668 PolarHBondContact O-N 3.45Å; N668-L670 VanDerWaalsContact C-N 3.34Å; N668-R671 PolarHBondContact O-N 3.29Å; N668-T672 WeakPolarHBondContact O-CG2 3.31Å; N668-T672 PolarHBondContact O-N 2.94Å; N668-T672 PolarHBondContact O-OG1 2.87Å; N668-T672 VanDerWaalsContact O-OG1 3.1Å
669	R	85	Confident	82.3	Confident	183 Å²	183	82.5 Å²	82.5	69%	0.691	38%	0.379	S	S	*	.	H	α-helix	trans	-62.1	-40.4	172.4	-73.3	176.4	-179.9	-175.1	0.1	112.2	R665 Q666 T672 F673	R665-R669 WeakPolarHBondContact O-CG 3.18Å; R665-R669 PolarHBondContact O-N 2.03Å; R665-R669 VanDerWaalsContact O-N 3.1Å; Q666-R669 WeakPolarHBondContact O-CB 2.99Å; Q666-R669 PolarHBondContact O-N 3.32Å; R669-T672 WeakPolarHBondContact CA-OG1 3.48Å; R669-T672 PolarHBondContact O-OG1 2.79Å; R669-F673 WeakPolarHBondContact O-CB 3.36Å; R669-F673 PolarHBondContact O-N 2.81Å
670	L	81.1	Confident	81.5	Confident	31 Å²	31	90.8 Å²	90.8	16%	0.162	41%	0.409	C	S	.	.	H	α-helix	trans	-65.2	-43.6	178.2	-145.4	93.2	0	0	0	111.2	R579 Q582 L583 Q666 L667 N668 F673 T674	R579-L670 HydrophobicContact CG-CD2 4.39Å; Q582-L670 HydrophobicContact CB-CD1 3.88Å; Q582-L670 HydrophobicContact CB-CD2 3.94Å; Q582-L670 HydrophobicContact CB-CG 4.46Å; L583-L670 HydrophobicContact CD2-CD2 3.77Å; L583-L670 HydrophobicContact CG-CD2 3.69Å; Q666-L670 PolarHBondContact O-N 3.16Å; L667-L670 PolarHBondContact O-N 2.87Å; N668-L670 VanDerWaalsContact C-N 3.34Å; L670-F673 PolarHBondContact O-N 3.38Å; L670-T674 VanDerWaalsContact O-CG2 3.26Å; L670-T674 WeakPolarHBondContact O-CG2 3.4Å; L670-T674 PolarHBondContact O-N 2.63Å; L670-T674 VanDerWaalsContact O-N 3.13Å; L670-T674 PolarHBondContact O-OG1 2.87Å
671	R	78.2	Confident	80.4	Confident	154 Å²	154	86.5 Å²	86.5	58%	0.581	39%	0.394	S	S	*	.	H	α-helix	trans	-61	-49.6	176.4	-73.1	177.8	-178.7	178	0.2	111.5	L667 N668 F673 T674 V675	L667-R671 WeakPolarHBondContact O-CG 3.4Å; L667-R671 PolarHBondContact O-N 2.92Å; N668-R671 PolarHBondContact O-N 3.29Å; R671-F673 PolarHBondContact O-N 2.98Å; R671-T674 PolarHBondContact O-N 3.21Å; R671-T674 PolarHBondContact O-OG1 3.39Å; R671-V675 WeakPolarHBondContact O-CG2 3.48Å; R671-V675 PolarHBondContact O-N 3.21Å
672	T	78.9	Confident	79.1	Confident	83 Å²	83	87.4 Å²	87.4	51%	0.509	40%	0.4	S	S	.	.	H	α-helix	trans	-63.8	-39.3	-179.8	52.5	0	0	0	0	112.5	N668 R669 T674 V675 Q676	N668-T672 WeakPolarHBondContact O-CG2 3.31Å; N668-T672 PolarHBondContact O-N 2.94Å; N668-T672 PolarHBondContact O-OG1 2.87Å; N668-T672 VanDerWaalsContact O-OG1 3.1Å; R669-T672 WeakPolarHBondContact CA-OG1 3.48Å; R669-T672 PolarHBondContact O-OG1 2.79Å; T672-T674 PolarHBondContact O-N 3.12Å; T672-V675 PolarHBondContact O-N 2.88Å; T672-Q676 WeakPolarHBondContact O-CG 3.25Å; T672-Q676 PolarHBondContact O-N 2.83Å
673	F	77.5	Confident	78.1	Confident	97 Å²	97	93.9 Å²	93.9	43%	0.425	42%	0.419	S	S	.	.	H	α-helix	trans	-59.9	-44.6	175.5	-177.2	-102.6	0	0	0	112.3	R669 L670 R671 V675 Q676 Q677	R669-F673 WeakPolarHBondContact O-CB 3.36Å; R669-F673 PolarHBondContact O-N 2.81Å; L670-F673 PolarHBondContact O-N 3.38Å; R671-F673 PolarHBondContact O-N 2.98Å; F673-V675 VanDerWaalsContact C-N 3.34Å; F673-V675 PolarHBondContact O-N 2.73Å; F673-Q676 PolarHBondContact O-N 2Å; F673-Q677 HydrophobicContact CD1-CG 4.1Å; F673-Q677 HydrophobicContact CE1-CG 3.79Å; F673-Q677 HydrophobicContact CE2-CG 4.34Å; F673-Q677 HydrophobicContact CZ-CG 3.95Å; F673-Q677 WeakPolarHBondContact O-CB 3.3Å; F673-Q677 VanDerWaalsContact O-CG 3.3Å; F673-Q677 WeakPolarHBondContact O-CG 3.47Å; F673-Q677 PolarHBondContact O-N 3.18Å
674	T	73.8	Confident	77.1	Confident	34 Å²	34	98.2 Å²	98.2	21%	0.209	44%	0.44	C	S	.	.	H	α-helix	trans	-65.1	-37.3	179.6	62	0	0	0	0	112.5	R579 L670 R671 T672 R678	R579-T674 HydrophobicContact CB-CG2 4.29Å; R579-T674 HydrophobicContact CG-CG2 3.78Å; L670-T674 VanDerWaalsContact O-CG2 3.26Å; L670-T674 WeakPolarHBondContact O-CG2 3.4Å; L670-T674 PolarHBondContact O-N 2.63Å; L670-T674 VanDerWaalsContact O-N 3.13Å; L670-T674 PolarHBondContact O-OG1 2.87Å; R671-T674 PolarHBondContact O-N 3.21Å; R671-T674 PolarHBondContact O-OG1 3.39Å; T672-T674 PolarHBondContact O-N 3.12Å; T674-R678 WeakPolarHBondContact O-CG 3.45Å; T674-R678 PolarHBondContact O-N 2.81Å; T674-R678 VanDerWaalsContact O-N 3.1Å
675	V	72.2	Confident	76	Confident	89 Å²	89	99.2 Å²	99.2	54%	0.539	44%	0.441	S	S	.	.	H	α-helix	trans	-66.6	-47.1	175	174.4	0	0	0	0	110.7	R671 T672 F673 Q677 R678 V679	R671-V675 WeakPolarHBondContact O-CG2 3.48Å; R671-V675 PolarHBondContact O-N 3.21Å; T672-V675 PolarHBondContact O-N 2.88Å; F673-V675 VanDerWaalsContact C-N 3.34Å; F673-V675 PolarHBondContact O-N 2.73Å; V675-Q677 PolarHBondContact O-N 3.42Å; V675-R678 PolarHBondContact O-N 2.89Å; V675-V679 HydrophobicContact CG1-CG2 4.46Å; V675-V679 WeakPolarHBondContact O-CG2 2.98Å; V675-V679 PolarHBondContact O-N 2.79Å
676	Q	77.5	Confident	74.7	Confident	134 Å²	134	101.5 Å²	101.5	63%	0.626	45%	0.45	S	S	*	.	H	α-helix	trans	-60.7	-43.2	177.9	-77	-176	-12	0	0	112.1	T672 F673 V679 R680	T672-Q676 WeakPolarHBondContact O-CG 3.25Å; T672-Q676 PolarHBondContact O-N 2.83Å; F673-Q676 PolarHBondContact O-N 2Å; Q676-V679 PolarHBondContact O-N 3.13Å; Q676-R680 WeakPolarHBondContact O-CB 3.06Å; Q676-R680 PolarHBondContact O-N 2.82Å
677	Q	73	Confident	73.2	Confident	76 Å²	76	103.4 Å²	103.4	36%	0.355	46%	0.462	S	S	.	.	H	α-helix	trans	-57.7	-49.2	175.1	-78.1	-103.5	-12.1	0	0	111.8	F673 V675 V679 R680 M681	F673-Q677 HydrophobicContact CD1-CG 4.1Å; F673-Q677 HydrophobicContact CE1-CG 3.79Å; F673-Q677 HydrophobicContact CE2-CG 4.34Å; F673-Q677 HydrophobicContact CZ-CG 3.95Å; F673-Q677 WeakPolarHBondContact O-CB 3.3Å; F673-Q677 VanDerWaalsContact O-CG 3.3Å; F673-Q677 WeakPolarHBondContact O-CG 3.47Å; F673-Q677 PolarHBondContact O-N 3.18Å; V675-Q677 PolarHBondContact O-N 3.42Å; Q677-V679 PolarHBondContact O-N 2.82Å; Q677-R680 PolarHBondContact O-N 2.92Å; Q677-M681 WeakPolarHBondContact O-CB 3.4Å; Q677-M681 PolarHBondContact O-N 3.34Å
678	R	70.2	Confident	71.9	Confident	115 Å²	115	111 Å²	111	43%	0.434	49%	0.489	S	S	.	.	H	α-helix	trans	-60.7	-42.8	177.2	-76.2	-178.1	178.9	-179.5	1.7	112.1	E576 T674 V675 M681 M682	E576-R678 IonicContact OE1-NH2 3.13Å; E576-R678 IonicContact OE2-CZ 3.68Å; E576-R678 IonicContact OE2-NH2 2.99Å; E576-R678 PolarHBondContact OE2-NH2 3.47Å; T674-R678 WeakPolarHBondContact O-CG 3.45Å; T674-R678 PolarHBondContact O-N 2.81Å; T674-R678 VanDerWaalsContact O-N 3.1Å; V675-R678 PolarHBondContact O-N 2.89Å; R678-M681 PolarHBondContact O-N 2.88Å; R678-M682 PolarHBondContact O-N 3.01Å
679	V	70.8	Confident	70.7	Confident	57 Å²	57	113.1 Å²	113.1	35%	0.345	50%	0.497	S	S	.	.	H	α-helix	trans	-65.2	-42.5	177.2	172.9	0	0	0	0	111.6	V675 Q676 Q677 M681 M682 R683	V675-V679 HydrophobicContact CG1-CG2 4.46Å; V675-V679 WeakPolarHBondContact O-CG2 2.98Å; V675-V679 PolarHBondContact O-N 2.79Å; Q676-V679 PolarHBondContact O-N 3.13Å; Q677-V679 PolarHBondContact O-N 2.82Å; V679-M681 VanDerWaalsContact C-N 3.34Å; V679-M681 PolarHBondContact O-N 2.74Å; V679-M682 PolarHBondContact O-N 3.03Å; V679-R683 WeakPolarHBondContact O-CG 3.47Å; V679-R683 PolarHBondContact O-N 2.81Å
680	R	73.9	Confident	69.3	Low	192 Å²	192	111.7 Å²	111.7	73%	0.725	50%	0.495	S	S	*	.	H	α-helix	trans	-62.9	-42.3	178.4	-143	177.2	-168.6	176.4	2.5	111.1	Q676 Q677 R683 Q684	Q676-R680 WeakPolarHBondContact O-CB 3.06Å; Q676-R680 PolarHBondContact O-N 2.82Å; Q677-R680 PolarHBondContact O-N 2.92Å; R680-R683 PolarHBondContact O-N 2.01Å; R680-Q684 PolarHBondContact O-N 2.84Å
681	M	67.4	Low	67.7	Low	38 Å²	38	118.3 Å²	118.3	19%	0.187	52%	0.52	C	S	.	.	H	α-helix	trans	-62.6	-44.7	175.3	-155.4	-165.8	-130.6	0	0	111.4	T571 M575 Q677 R678 V679 R683 Q684 Y685	T571-M681 VanDerWaalsContact CB-CE 3.48Å; T571-M681 HydrophobicContact CG2-CE 4.28Å; T571-M681 VanDerWaalsContact OG1-CE 3.28Å; T571-M681 WeakPolarHBondContact OG1-CE 3.26Å; M575-M681 HydrophobicContact CE-CE 3.53Å; M575-M681 HydrophobicContact CE-SD 4.2Å; M575-M681 HydrophobicContact SD-CE 4.17Å; M575-M681 HydrophobicContact SD-SD 4.43Å; Q677-M681 WeakPolarHBondContact O-CB 3.4Å; Q677-M681 PolarHBondContact O-N 3.34Å; R678-M681 PolarHBondContact O-N 2.88Å; V679-M681 VanDerWaalsContact C-N 3.34Å; V679-M681 PolarHBondContact O-N 2.74Å; M681-R683 VanDerWaalsContact C-N 3.35Å; M681-R683 PolarHBondContact O-N 2.65Å; M681-Q684 PolarHBondContact O-N 2.87Å; M681-Y685 HydrophobicContact CG-CD2 4.43Å; M681-Y685 PolarHBondContact O-N 2.79Å
682	M	65.8	Low	66.3	Low	113 Å²	113	117.7 Å²	117.7	56%	0.557	52%	0.521	S	S	*	.	H	α-helix	trans	-60.3	-40.9	174.5	-81.3	-164.1	-91.2	0	0	112.8	R678 V679 Y685 R686	R678-M682 PolarHBondContact O-N 3.01Å; V679-M682 PolarHBondContact O-N 3.03Å; M682-Y685 PolarHBondContact O-N 2.87Å; M682-R686 PolarHBondContact O-N 3.04Å
683	R	68.9	Low	64.8	Low	172 Å²	172	120 Å²	120	65%	0.649	53%	0.531	S	S	*	.	H	α-helix	trans	-65	-45.4	176.8	-74.8	-179.3	-179.8	-178	0.4	112	V679 R680 M681 Y685 R686 L687	V679-R683 WeakPolarHBondContact O-CG 3.47Å; V679-R683 PolarHBondContact O-N 2.81Å; R680-R683 PolarHBondContact O-N 2.01Å; M681-R683 VanDerWaalsContact C-N 3.35Å; M681-R683 PolarHBondContact O-N 2.65Å; R683-Y685 VanDerWaalsContact C-N 3.31Å; R683-Y685 PolarHBondContact O-N 3.17Å; R683-R686 PolarHBondContact O-N 2.99Å; R683-L687 WeakPolarHBondContact O-CB 3.25Å; R683-L687 WeakPolarHBondContact O-CG 3.39Å; R683-L687 PolarHBondContact O-N 3.35Å
684	Q	69.3	Low	63.3	Low	123 Å²	123	123.5 Å²	123.5	58%	0.575	55%	0.545	S	S	*	.	H	α-helix	trans	-60.6	-40.5	176	-79.4	-174.3	-17.9	0	0	112.1	R680 M681 R688	R680-Q684 PolarHBondContact O-N 2.84Å; M681-Q684 PolarHBondContact O-N 2.87Å; Q684-R688 PolarHBondContact O-N 3.12Å
685	Y	65.6	Low	61.5	Low	94 Å²	94	126.5 Å²	126.5	37%	0.369	56%	0.564	S	S	.	*	H	α-helix	trans	-65.1	-46.7	175.5	-99.4	-87.2	0	0	0	112.4	V568 M681 M682 R683 L687 R688 Q689	V568-Y685 HydrophobicContact CG2-CE1 3.93Å; V568-Y685 HydrophobicContact CG2-CE2 4.23Å; V568-Y685 WeakPolarHBondContact CG2-OH 3.42Å; M681-Y685 HydrophobicContact CG-CD2 4.43Å; M681-Y685 PolarHBondContact O-N 2.79Å; M682-Y685 PolarHBondContact O-N 2.87Å; R683-Y685 VanDerWaalsContact C-N 3.31Å; R683-Y685 PolarHBondContact O-N 3.17Å; Y685-L687 VanDerWaalsContact C-N 3.33Å; Y685-L687 PolarHBondContact O-N 3.23Å; Y685-R688 PolarHBondContact O-N 2.96Å; Y685-Q689 WeakPolarHBondContact O-CB 3.1Å; Y685-Q689 PolarHBondContact O-N 3.38Å
686	R	61.4	Low	60.1	Low	187 Å²	187	126.9 Å²	126.9	71%	0.706	57%	0.568	S	S	*	*	H	α-helix	trans	-60.6	-40.3	176.8	-81	-175.2	177.6	179.2	-0.5	112.5	M682 R683 Q689 K690	M682-R686 PolarHBondContact O-N 3.04Å; R683-R686 PolarHBondContact O-N 2.99Å; R686-Q689 PolarHBondContact O-N 2.94Å; R686-K690 PolarHBondContact O-N 3.3Å
687	L	58.5	Low	58.3	Low	106 Å²	106	129.6 Å²	129.6	56%	0.555	58%	0.578	S	S	*	*	H	α-helix	trans	-64.4	-47.3	177	-76.6	167.5	0	0	0	111.6	R683 Y685 Q689 K690 Y691	R683-L687 WeakPolarHBondContact O-CB 3.25Å; R683-L687 WeakPolarHBondContact O-CG 3.39Å; R683-L687 PolarHBondContact O-N 3.35Å; Y685-L687 VanDerWaalsContact C-N 3.33Å; Y685-L687 PolarHBondContact O-N 3.23Å; L687-Q689 VanDerWaalsContact C-N 3.25Å; L687-Q689 PolarHBondContact O-N 2.85Å; L687-K690 PolarHBondContact O-N 3.42Å; L687-Y691 PolarHBondContact O-N 3.45Å
688	R	58.3	Low	56.4	Low	176 Å²	176	132 Å²	132	66%	0.664	60%	0.598	S	S	*	*	H	α-helix	trans	-59.9	-36.8	175	-77	-175.7	176.1	-177.6	-0.8	112	Q684 Y685 Y691 F692	Q684-R688 PolarHBondContact O-N 3.12Å; Y685-R688 PolarHBondContact O-N 2.96Å; R688-Y691 PolarHBondContact O-N 3.19Å; R688-F692 WeakPolarHBondContact O-CD2 3.43Å; R688-F692 PolarHBondContact O-N 3.28Å
689	Q	57.3	Low	54.9	Low	121 Å²	121	130.8 Å²	130.8	57%	0.565	61%	0.612	S	S	*	*	H	α-helix	trans	-66.7	-41.1	177.6	-146.6	175.1	7.1	0	0	112.2	Y685 R686 L687 F692 N693	Y685-Q689 WeakPolarHBondContact O-CB 3.1Å; Y685-Q689 PolarHBondContact O-N 3.38Å; R686-Q689 PolarHBondContact O-N 2.94Å; L687-Q689 VanDerWaalsContact C-N 3.25Å; L687-Q689 PolarHBondContact O-N 2.85Å; Q689-F692 PolarHBondContact O-N 3.46Å; Q689-N693 WeakPolarHBondContact O-CB 3.42Å; Q689-N693 VanDerWaalsContact O-CG 3.26Å; Q689-N693 PolarHBondContact O-N 2.87Å; Q689-N693 PolarHBondContact O-OD1 3.41Å
690	K	55.6	Low	53.3	Low	153 Å²	153	136 Å²	136	67%	0.665	63%	0.633	S	S	*	*	H	α-helix	trans	-62.9	-39.9	172.7	-80.6	-172	175.1	-174.7	0	112.2	R686 L687 K694	R686-K690 PolarHBondContact O-N 3.3Å; L687-K690 PolarHBondContact O-N 3.42Å; K690-K694 WeakPolarHBondContact O-CB 3.37Å; K690-K694 WeakPolarHBondContact O-CG 3.19Å; K690-K694 PolarHBondContact O-N 3.21Å
691	Y	46.9	Very low	51.3	Low	171 Å²	171	136.4 Å²	136.4	67%	0.671	64%	0.64	S	S	*	*	H	α-helix	trans	-67.4	-44.8	176.2	-93	-86.9	0	0	0	112.4	L687 R688 N693 K694 V695	L687-Y691 PolarHBondContact O-N 3.45Å; R688-Y691 PolarHBondContact O-N 3.19Å; Y691-N693 VanDerWaalsContact C-N 3.31Å; Y691-N693 PolarHBondContact O-N 2.79Å; Y691-K694 PolarHBondContact O-N 2.75Å; Y691-V695 PolarHBondContact O-N 2.66Å
692	F	48.8	Very low	49.8	Very low	140 Å²	140	138 Å²	138	61%	0.614	66%	0.66	S	S	*	*	H	α-helix	trans	-64.7	-33.9	177	-95.1	-79	0	0	0	113	R688 Q689 K694 V695	R688-F692 WeakPolarHBondContact O-CD2 3.43Å; R688-F692 PolarHBondContact O-N 3.28Å; Q689-F692 PolarHBondContact O-N 3.46Å; F692-K694 PolarHBondContact O-N 3.22Å; F692-V695 PolarHBondContact O-N 2.95Å
693	N	47.2	Very low	48.3	Very low	132 Å²	132	139.1 Å²	139.1	71%	0.706	67%	0.673	S	S	*	*	H	α-helix	trans	-72.4	-20.4	174	-71.6	-0.7	0	0	0	112.7	Q689 Y691	Q689-N693 WeakPolarHBondContact O-CB 3.42Å; Q689-N693 VanDerWaalsContact O-CG 3.26Å; Q689-N693 PolarHBondContact O-N 2.87Å; Q689-N693 PolarHBondContact O-OD1 3.41Å; Y691-N693 VanDerWaalsContact C-N 3.31Å; Y691-N693 PolarHBondContact O-N 2.79Å
694	K	46.8	Very low	46.5	Very low	170 Å²	170	139.8 Å²	139.8	74%	0.739	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.9	1	177.3	-82.4	-168.9	177.5	-166.5	0	114.3	K690 Y691 F692 P696	K690-K694 WeakPolarHBondContact O-CB 3.37Å; K690-K694 WeakPolarHBondContact O-CG 3.19Å; K690-K694 PolarHBondContact O-N 3.21Å; Y691-K694 PolarHBondContact O-N 2.75Å; F692-K694 PolarHBondContact O-N 3.22Å; K694-P696 VanDerWaalsContact O-CD 3.24Å; K694-P696 WeakPolarHBondContact O-CD 3.3Å
695	V	37	Very low	44.5	Very low	98 Å²	98	142.1 Å²	142.1	59%	0.594	69%	0.694	S	S	*	*			trans	-102.5	90.6	170.8	-174.1	0	0	0	0	107.5	Y691 F692 F697	Y691-V695 PolarHBondContact O-N 2.66Å; F692-V695 PolarHBondContact O-N 2.95Å; V695-F697 PolarHBondContact O-N 3.3Å
696	P	41.4	Very low	43	Very low	97 Å²	97	143 Å²	143	63%	0.63	71%	0.711	S	S	*	*			trans	-78.3	111.4	173.9	10.4	9.5	0	0	0	107.5	K694 T698	K694-P696 VanDerWaalsContact O-CD 3.24Å; K694-P696 WeakPolarHBondContact O-CD 3.3Å; P696-T698 PolarHBondContact O-N 3.09Å; P696-T698 VanDerWaalsContact O-N 3.11Å
697	F	39.8	Very low	41.6	Very low	191 Å²	191	143.2 Å²	143.2	84%	0.838	72%	0.718	S	S	*	*			trans	36.2	65.5	143	-70.6	-89.6	0	0	0	117.7	V695 A699	V695-F697 PolarHBondContact O-N 3.3Å; F697-A699 VanDerWaalsContact C-N 3.3Å
698	T	33.8	Very low	40	Very low	127 Å²	127	147 Å²	147	78%	0.779	73%	0.732	S	S	*	*			trans	-93.9	25.6	162.6	49	0	0	0	0	112.9	P696 H700	P696-T698 PolarHBondContact O-N 3.09Å; P696-T698 VanDerWaalsContact O-N 3.11Å; T698-H700 VanDerWaalsContact C-N 3.34Å
699	A	37.8	Very low	38.6	Very low	88 Å²	88	146.9 Å²	146.9	73%	0.727	74%	0.739	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.2	4.7	177.3	0	0	0	0	0	114	F697	F697-A699 VanDerWaalsContact C-N 3.3Å
700	H	37.5	Very low	37.3	Very low	168 Å²	168	151.2 Å²	151.2	78%	0.778	76%	0.756	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.5	3.6	-177.3	-109.1	-51	0	0	0	115.9	T698	T698-H700 VanDerWaalsContact C-N 3.34Å
701	F	32.7	Very low	36.4	Very low	200 Å²	200	152.2 Å²	152.2	88%	0.877	79%	0.793	S	S	*	*	S	Bend	trans	-116.6	2.2	-176.8	-84	-74.9	0	0	0	117.1
702	A	35.5	Very low	35.9	Very low	72 Å²	72	151.3 Å²	151.3	60%	0.595	80%	0.799	S	S	*	*	S	Bend	trans	-100	3.5	-174.2	0	0	0	0	0	116.2
703	T	34.8	Very low	35.2	Very low	135 Å²	135	151.9 Å²	151.9	83%	0.828	81%	0.809	S	S	*	*			trans	-122.9	35.4	-178.2	61.4	0	0	0	0	113.7
704	M	29.8	Very low	34.6	Very low	186 Å²	186	153 Å²	153	92%	0.916	82%	0.815	S	S	*	*			trans	-106.2	69	162.4	-152.8	158.9	-175.3	0	0	107.6
705	F	27.6	Very low	33.8	Very low	173 Å²	173	152 Å²	152	76%	0.759	82%	0.819	S	S	*	*			trans	-101.6	114.8	168.8	-89	-86.2	0	0	0	107.7
706	P	34.2	Very low	33.6	Very low	112 Å²	112	155.4 Å²	155.4	73%	0.727	83%	0.833	S	S	*	*			trans	-94.9	108.9	154.3	24.8	-9.7	0	0	0	108.1	H708	P706-H708 PolarHBondContact O-N 3.05Å
707	F	31.4	Very low	33.1	Very low	192 Å²	192	159.3 Å²	159.3	84%	0.842	85%	0.847	S	S	*	*			trans	-56.9	120	164.3	-85.4	-100.6	0	0	0	109.2
708	H	26.5	Very low	32.6	Very low	185 Å²	185	157 Å²	157	86%	0.856	85%	0.848	S	S	*	*			trans	-134.3	85.8	165.5	-130.8	-64.1	0	0	0	107.2	P706	P706-H708 PolarHBondContact O-N 3.05Å
709	E	28.3	Very low	32.6	Very low	174 Å²	174	159.3 Å²	159.3	81%	0.813	85%	0.853	S	S	*	*			trans	-167.1	121.8	160.2	-114.2	172.2	-168.1	0	0	108.6
710	F	29.1	Very low	32.1	Very low	212 Å²	212	165.3 Å²	165.3	93%	0.93	86%	0.863	S	S	*	*			trans	132	60	167.1	-74.5	-67.6	0	0	0	114.1
711	A	38.1	Very low	31.6	Very low	174 Å²	174	165 Å²	165	100%	1.438	87%	0.871	S	S	*	*			trans	-162.8	0	137.3	0	0	0	0	0	105.5

Retrieved 711 of 711 residues in 546.1 ms (Link to these results)

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