A0A3Q0KJD8_SCHMA Loading...

Voltage-gated potassium channel, putative

AlphaFold DB , UniProt , Accession A0A3Q0KJD8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 500 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	43.8	Very low	61.2	Low	195 Å²	195	126.3 Å²	126.3	96%	0.961	64%	0.638	S	S	*	*				0	-37.6	0	-71.8	-170.5	-151.7	0	0	113.7	S3	M1-S3 VanDerWaalsContact C-N 3.26Å; M1-S3 PolarHBondContact O-N 2.81Å
2	V	46.3	Very low	61.8	Low	133 Å²	133	125.8 Å²	125.8	81%	0.806	63%	0.632	S	S	*	*	H	α-helix	trans	-67.8	-20.7	178.7	-179.7	0	0	0	0	113.7	S6	V2-S6 PolarHBondContact O-OG 3.3Å
3	S	56.9	Low	62.6	Low	74 Å²	74	120.8 Å²	120.8	52%	0.517	62%	0.622	S	S	.	*	H	α-helix	trans	-82.3	-33.7	-179.5	55.5	0	0	0	0	114.9	M1 S6 W7	M1-S3 VanDerWaalsContact C-N 3.26Å; M1-S3 PolarHBondContact O-N 2.81Å; S3-S6 PolarHBondContact O-OG 3.41Å; S3-W7 PolarHBondContact O-N 2.86Å
4	E	51.3	Low	63.4	Low	144 Å²	144	117.4 Å²	117.4	67%	0.673	61%	0.609	S	S	*	*	H	α-helix	trans	-75.7	-35.3	-175.9	-79.9	175.8	150.6	0	0	112.7	W7 Q8	E4-W7 PolarHBondContact O-N 2.95Å; E4-Q8 PolarHBondContact O-N 3.38Å
5	I	62.2	Low	63.8	Low	112 Å²	112	117.3 Å²	117.3	57%	0.574	61%	0.609	S	S	*	*	H	α-helix	trans	-67.1	-40	179.9	-60.6	166.5	0	0	0	110.4	W7 Q8 L9	I5-W7 PolarHBondContact O-N 3.19Å; I5-Q8 PolarHBondContact O-N 2.66Å; I5-L9 HydrophobicContact CG2-CD1 3.85Å; I5-L9 WeakPolarHBondContact O-CD1 3.5Å; I5-L9 PolarHBondContact O-N 3.26Å
6	S	67.6	Low	64.2	Low	68 Å²	68	118.4 Å²	118.4	48%	0.476	62%	0.615	S	S	.	*	H	α-helix	trans	-67.2	-36.7	178.9	55.3	0	0	0	0	112.6	V2 S3 L10	V2-S6 PolarHBondContact O-OG 3.3Å; S3-S6 PolarHBondContact O-OG 3.41Å; S6-L10 WeakPolarHBondContact O-CB 3.43Å; S6-L10 PolarHBondContact O-N 3.03Å
7	W	65.2	Low	64.3	Low	172 Å²	172	114.7 Å²	114.7	65%	0.652	61%	0.612	S	S	*	*	H	α-helix	trans	-68.7	-32.6	175.4	-76.6	117.2	0	0	0	113.5	S3 E4 I5 L10 K11	S3-W7 PolarHBondContact O-N 2.86Å; E4-W7 PolarHBondContact O-N 2.95Å; I5-W7 PolarHBondContact O-N 3.19Å; W7-L10 HydrophobicContact CE3-CD2 3.92Å; W7-L10 HydrophobicContact CZ3-CD2 3.72Å; W7-K11 WeakPolarHBondContact O-CB 3.4Å; W7-K11 PolarHBondContact O-N 3.25Å
8	Q	66.8	Low	64.7	Low	134 Å²	134	112.6 Å²	112.6	63%	0.626	60%	0.6	S	S	*	*	H	α-helix	trans	-70.9	-42.1	176.3	-72	-154	-12.4	0	0	112.7	E4 I5 L10 K11 Q12	E4-Q8 PolarHBondContact O-N 3.38Å; I5-Q8 PolarHBondContact O-N 2.66Å; Q8-L10 VanDerWaalsContact C-N 3.34Å; Q8-K11 PolarHBondContact O-N 3.22Å; Q8-Q12 PolarHBondContact O-N 3.06Å
9	L	70.3	Confident	64.6	Low	112 Å²	112	108.4 Å²	108.4	59%	0.586	58%	0.584	S	S	*	*	H	α-helix	trans	-64	-40.8	174.2	-87.2	92.5	0	0	0	111.5	I5 Q12 A13	I5-L9 HydrophobicContact CG2-CD1 3.85Å; I5-L9 WeakPolarHBondContact O-CD1 3.5Å; I5-L9 PolarHBondContact O-N 3.26Å; L9-Q12 PolarHBondContact O-N 3.22Å; L9-A13 WeakPolarHBondContact O-CB 3.29Å; L9-A13 PolarHBondContact O-N 3.24Å
10	L	73	Confident	64.4	Low	95 Å²	95	108.3 Å²	108.3	50%	0.497	59%	0.589	S	S	.	*	H	α-helix	trans	-60.7	-49.5	175.6	-166	77.1	0	0	0	110.2	S6 W7 Q8 Q12 A13 T14	S6-L10 WeakPolarHBondContact O-CB 3.43Å; S6-L10 PolarHBondContact O-N 3.03Å; W7-L10 HydrophobicContact CE3-CD2 3.92Å; W7-L10 HydrophobicContact CZ3-CD2 3.72Å; Q8-L10 VanDerWaalsContact C-N 3.34Å; L10-Q12 VanDerWaalsContact C-N 3.34Å; L10-Q12 PolarHBondContact O-N 3.45Å; L10-A13 PolarHBondContact O-N 2.71Å; L10-A13 VanDerWaalsContact O-N 3.16Å; L10-T14 PolarHBondContact O-N 2.74Å; L10-T14 PolarHBondContact O-OG1 3.17Å
11	K	69.8	Low	64.7	Low	150 Å²	150	108.8 Å²	108.8	65%	0.652	60%	0.595	S	S	*	*	H	α-helix	trans	-54.5	-46.5	176.4	-101.6	-176.5	173.4	-179.3	0	112.8	W7 Q8 T14 I15	W7-K11 WeakPolarHBondContact O-CB 3.4Å; W7-K11 PolarHBondContact O-N 3.25Å; Q8-K11 PolarHBondContact O-N 3.22Å; K11-T14 PolarHBondContact O-N 2.61Å; K11-I15 WeakPolarHBondContact O-CB 3.42Å; K11-I15 WeakPolarHBondContact O-CD1 3.09Å; K11-I15 WeakPolarHBondContact O-CG1 3.37Å; K11-I15 PolarHBondContact O-N 3.23Å
12	Q	69	Low	65.6	Low	121 Å²	121	105.4 Å²	105.4	57%	0.565	58%	0.58	S	S	*	*	H	α-helix	trans	-64.7	-40.8	179.1	-77.5	179.5	-12.1	0	0	111.9	Q8 L9 L10 I15 L16	Q8-Q12 PolarHBondContact O-N 3.06Å; L9-Q12 PolarHBondContact O-N 3.22Å; L10-Q12 VanDerWaalsContact C-N 3.34Å; L10-Q12 PolarHBondContact O-N 3.45Å; Q12-I15 PolarHBondContact O-N 2.69Å; Q12-L16 WeakPolarHBondContact O-CB 3.33Å; Q12-L16 WeakPolarHBondContact O-CG 3.42Å; Q12-L16 PolarHBondContact O-N 2.79Å
13	A	72	Confident	65.8	Low	61 Å²	61	100.7 Å²	100.7	50%	0.504	55%	0.553	S	S	.	*	H	α-helix	trans	-65.4	-40.3	175.9	0	0	0	0	0	112.1	L9 L10 L16 G17	L9-A13 WeakPolarHBondContact O-CB 3.29Å; L9-A13 PolarHBondContact O-N 3.24Å; L10-A13 PolarHBondContact O-N 2.71Å; L10-A13 VanDerWaalsContact O-N 3.16Å; A13-L16 PolarHBondContact O-N 3.45Å; A13-G17 PolarHBondContact O-N 3.31Å
14	T	73.9	Confident	65.5	Low	72 Å²	72	103.4 Å²	103.4	44%	0.442	56%	0.562	S	S	.	*	H	α-helix	trans	-67.1	-40	176.6	-21.5	0	0	0	0	111.7	L10 K11 G17 L18	L10-T14 PolarHBondContact O-N 2.74Å; L10-T14 PolarHBondContact O-OG1 3.17Å; K11-T14 PolarHBondContact O-N 2.61Å; T14-G17 PolarHBondContact O-N 2.86Å; T14-L18 HydrophobicContact CG2-CD1 3.84Å; T14-L18 VanDerWaalsContact O-CB 3.3Å; T14-L18 WeakPolarHBondContact O-CB 3.49Å; T14-L18 WeakPolarHBondContact O-CG 3.01Å; T14-L18 PolarHBondContact O-N 2.9Å
15	I	68.5	Low	65.6	Low	117 Å²	117	104.6 Å²	104.6	60%	0.6	57%	0.567	S	S	*	*	H	α-helix	trans	-63.6	-45.4	176.5	-69	164.8	0	0	0	110.4	K11 Q12 A19	K11-I15 WeakPolarHBondContact O-CB 3.42Å; K11-I15 WeakPolarHBondContact O-CD1 3.09Å; K11-I15 WeakPolarHBondContact O-CG1 3.37Å; K11-I15 PolarHBondContact O-N 3.23Å; Q12-I15 PolarHBondContact O-N 2.69Å; I15-A19 WeakPolarHBondContact O-CB 2.96Å; I15-A19 PolarHBondContact O-N 2.92Å
16	L	70.3	Confident	65.1	Low	134 Å²	134	104.2 Å²	104.2	70%	0.702	57%	0.57	S	S	*	*	H	α-helix	trans	-66.6	-39.1	177.1	-77.6	162.5	0	0	0	112.7	Q12 A13	Q12-L16 WeakPolarHBondContact O-CB 3.33Å; Q12-L16 WeakPolarHBondContact O-CG 3.42Å; Q12-L16 PolarHBondContact O-N 2.79Å; A13-L16 PolarHBondContact O-N 3.45Å
17	G	67	Low	64.4	Low	56 Å²	56	105 Å²	105	58%	0.577	57%	0.568	S	S	*	*	H	α-helix	trans	-71.4	-31.2	179.4	0	0	0	0	0	113.7	A13 T14 P20	A13-G17 PolarHBondContact O-N 3.31Å; T14-G17 PolarHBondContact O-N 2.86Å; G17-P20 WeakPolarHBondContact O-CD 3.28Å
18	L	70.7	Confident	63.6	Low	76 Å²	76	101.5 Å²	101.5	40%	0.398	56%	0.562	S	S	.	*	H	α-helix	trans	-93.3	-13.7	178	-72.9	163.1	0	0	0	113.6	T14 P20 V21 L22	T14-L18 HydrophobicContact CG2-CD1 3.84Å; T14-L18 VanDerWaalsContact O-CB 3.3Å; T14-L18 WeakPolarHBondContact O-CB 3.49Å; T14-L18 WeakPolarHBondContact O-CG 3.01Å; T14-L18 PolarHBondContact O-N 2.9Å; L18-P20 VanDerWaalsContact C-N 3.3Å; L18-V21 PolarHBondContact O-N 3.44Å; L18-L22 HydrophobicContact CB-CD1 3.67Å; L18-L22 HydrophobicContact CB-CG 4.15Å; L18-L22 HydrophobicContact CD1-CD1 4.34Å; L18-L22 HydrophobicContact CG-CD1 4.45Å; L18-L22 PolarHBondContact O-N 3.39Å
19	A	63.7	Low	62.7	Low	34 Å²	34	99.9 Å²	99.9	28%	0.281	56%	0.557	S	S	.	*	H	α-helix	trans	-48.9	-39.9	178.1	0	0	0	0	0	114.5	I15 V21 C23	I15-A19 WeakPolarHBondContact O-CB 2.96Å; I15-A19 PolarHBondContact O-N 2.92Å; A19-V21 VanDerWaalsContact C-N 3.29Å; A19-V21 PolarHBondContact O-N 3.25Å; A19-C23 WeakPolarHBondContact O-CB 3.38Å; A19-C23 PolarHBondContact O-N 2.76Å
20	P	60.6	Low	61.7	Low	105 Å²	105	98.8 Å²	98.8	68%	0.682	55%	0.552	S	S	*	*	H	α-helix	trans	-73.3	-20.6	178.6	-8.1	22.7	0	0	0	113.7	G17 L18	G17-P20 WeakPolarHBondContact O-CD 3.28Å; L18-P20 VanDerWaalsContact C-N 3.3Å
21	V	70.2	Confident	60.6	Low	120 Å²	120	98.7 Å²	98.7	73%	0.727	55%	0.552	S	S	*	*	H	α-helix	trans	-96.8	-31.1	-175.3	-178.7	0	0	0	0	111.4	L18 A19	L18-V21 PolarHBondContact O-N 3.44Å; A19-V21 VanDerWaalsContact C-N 3.29Å; A19-V21 PolarHBondContact O-N 3.25Å
22	L	62.1	Low	59.6	Low	123 Å²	123	95.8 Å²	95.8	64%	0.644	55%	0.55	S	S	*	.	H	α-helix	trans	-95.5	-27.6	-175.6	-67.1	175.8	0	0	0	113.7	L18	L18-L22 HydrophobicContact CB-CD1 3.67Å; L18-L22 HydrophobicContact CB-CG 4.15Å; L18-L22 HydrophobicContact CD1-CD1 4.34Å; L18-L22 HydrophobicContact CG-CD1 4.45Å; L18-L22 PolarHBondContact O-N 3.39Å
23	C	51.8	Low	58.4	Low	35 Å²	35	98.5 Å²	98.5	24%	0.236	56%	0.555	C	S	.	*			trans	-98.3	107.1	-175.1	-64.2	0	0	0	0	110.7	A19 D27 L28	A19-C23 WeakPolarHBondContact O-CB 3.38Å; A19-C23 PolarHBondContact O-N 2.76Å; C23-D27 HydrophobicContact CB-CB 4.08Å; C23-L28 HydrophobicContact CB-CG 4.37Å
24	N	49.3	Very low	57.2	Low	131 Å²	131	102.4 Å²	102.4	70%	0.701	56%	0.563	S	S	*	*			trans	-56.2	148.5	157.1	-81.9	-26.4	0	0	0	108.8	V26 D27	N24-V26 PolarHBondContact O-N 2.76Å; N24-D27 PolarHBondContact O-N 3.17Å
25	E	52.7	Low	55.9	Low	169 Å²	169	104.4 Å²	104.4	79%	0.79	58%	0.575	S	S	*	*	H	α-helix	trans	-47.9	-23.9	-176	-72.2	-179.2	150.6	0	0	114.7	L29	E25-L29 PolarHBondContact O-N 2.95Å
26	V	52.9	Low	55	Low	104 Å²	104	108.8 Å²	108.8	63%	0.63	59%	0.59	S	S	*	*	H	α-helix	trans	-67.2	-39.1	176.5	-173.6	0	0	0	0	112.6	N24 L29 D30	N24-V26 PolarHBondContact O-N 2.76Å; V26-L29 WeakPolarHBondContact O-CB 3.31Å; V26-L29 PolarHBondContact O-N 3.46Å; V26-D30 PolarHBondContact O-N 2.82Å
27	D	51.9	Low	54.3	Low	83 Å²	83	108.1 Å²	108.1	44%	0.444	59%	0.591	S	S	.	*	H	α-helix	trans	-75.1	-28.2	-179.6	-79.9	-25.5	0	0	0	112.5	C23 N24 L29 D30 L31	C23-D27 HydrophobicContact CB-CB 4.08Å; N24-D27 PolarHBondContact O-N 3.17Å; D27-L29 VanDerWaalsContact C-N 3.31Å; D27-D30 PolarHBondContact O-N 3.08Å; D27-L31 WeakPolarHBondContact O-CG 3.34Å; D27-L31 PolarHBondContact O-N 2.81Å
28	L	48.3	Very low	54.4	Low	100 Å²	100	110.9 Å²	110.9	52%	0.524	60%	0.602	S	S	.	*	H	α-helix	trans	-67	-34.7	172.3	-86.2	162	0	0	0	111.5	C23 S32	C23-L28 HydrophobicContact CB-CG 4.37Å; L28-S32 PolarHBondContact O-N 2.81Å
29	L	48.7	Very low	54.8	Low	100 Å²	100	110.5 Å²	110.5	52%	0.524	60%	0.6	S	S	.	*	H	α-helix	trans	-69.7	-37.6	174.5	-112.9	128.1	0	0	0	111.9	E25 V26 D27 S32 R33	E25-L29 PolarHBondContact O-N 2.95Å; V26-L29 WeakPolarHBondContact O-CB 3.31Å; V26-L29 PolarHBondContact O-N 3.46Å; D27-L29 VanDerWaalsContact C-N 3.31Å; L29-S32 PolarHBondContact O-N 2.51Å; L29-S32 PolarHBondContact O-OG 3.5Å; L29-R33 PolarHBondContact O-N 2.9Å
30	D	50.2	Low	56.1	Low	89 Å²	89	115.6 Å²	115.6	48%	0.476	62%	0.616	S	S	.	*	H	α-helix	trans	-73.4	-30.3	175.7	-84.2	-14.3	0	0	0	113.2	V26 D27 S32 R33 Q34	V26-D30 PolarHBondContact O-N 2.82Å; D27-D30 PolarHBondContact O-N 3.08Å; D30-S32 VanDerWaalsContact C-N 3.34Å; D30-R33 CarbonylContact O-C 3.45Å; D30-R33 PolarHBondContact O-N 2.88Å; D30-Q34 PolarHBondContact O-N 2.81Å
31	L	49	Very low	57.5	Low	93 Å²	93	116.8 Å²	116.8	49%	0.487	61%	0.61	S	S	.	*	H	α-helix	trans	-66.1	-35.5	167.4	-78.3	166.4	0	0	0	112.2	D27 R33 Q34	D27-L31 WeakPolarHBondContact O-CG 3.34Å; D27-L31 PolarHBondContact O-N 2.81Å; L31-R33 VanDerWaalsContact C-N 3.25Å; L31-R33 PolarHBondContact O-N 2.76Å; L31-Q34 WeakPolarHBondContact O-CB 3.36Å; L31-Q34 WeakPolarHBondContact O-CG 3.47Å; L31-Q34 PolarHBondContact O-N 2.79Å
32	S	48.8	Very low	58.6	Low	88 Å²	88	111.4 Å²	111.4	62%	0.615	58%	0.577	S	S	*	*	H	α-helix	trans	-70.2	-24.3	173.6	82.4	0	0	0	0	113.1	L28 L29 D30 Q34	L28-S32 PolarHBondContact O-N 2.81Å; L29-S32 PolarHBondContact O-N 2.51Å; L29-S32 PolarHBondContact O-OG 3.5Å; D30-S32 VanDerWaalsContact C-N 3.34Å; S32-Q34 VanDerWaalsContact C-N 3.32Å
33	R	43.8	Very low	60.2	Low	178 Å²	178	108.3 Å²	108.3	67%	0.672	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.5	9.2	173.2	-82	-177.7	173.1	160.2	-1.5	113.7	L29 D30 L31 T35	L29-R33 PolarHBondContact O-N 2.9Å; D30-R33 CarbonylContact O-C 3.45Å; D30-R33 PolarHBondContact O-N 2.88Å; L31-R33 VanDerWaalsContact C-N 3.25Å; L31-R33 PolarHBondContact O-N 2.76Å; R33-T35 PolarHBondContact O-N 2.85Å
34	Q	47.1	Very low	62.3	Low	143 Å²	143	106.7 Å²	106.7	67%	0.668	55%	0.55	S	S	*	.	S	Bend	trans	-52.3	103.6	157.8	-76.6	-172.4	-0.8	0	0	106.5	D30 L31 S32 K36	D30-Q34 PolarHBondContact O-N 2.81Å; L31-Q34 WeakPolarHBondContact O-CB 3.36Å; L31-Q34 WeakPolarHBondContact O-CG 3.47Å; L31-Q34 PolarHBondContact O-N 2.79Å; S32-Q34 VanDerWaalsContact C-N 3.32Å; Q34-K36 PolarHBondContact O-N 3.07Å
35	T	46.6	Very low	64.6	Low	115 Å²	115	101.1 Å²	101.1	71%	0.706	52%	0.52	S	S	*	.			trans	-33	127.1	175.7	38.2	0	0	0	0	107.9	R33 V37	R33-T35 PolarHBondContact O-N 2.85Å; T35-V37 PolarHBondContact O-N 2.9Å
36	K	48.7	Very low	66.7	Low	208 Å²	208	93 Å²	93	90%	0.904	48%	0.482	S	S	*	.			trans	-46.9	94.7	164.5	-91.1	178.8	174	175.3	0	106.3	Q34 S38	Q34-K36 PolarHBondContact O-N 3.07Å; K36-S38 PolarHBondContact O-N 2.84Å
37	V	57	Low	68.6	Low	121 Å²	121	90.6 Å²	90.6	73%	0.733	47%	0.47	S	S	*	.			trans	-64.7	104.5	169.1	176.9	0	0	0	0	100.9	T35 D39	T35-V37 PolarHBondContact O-N 2.9Å; V37-D39 PolarHBondContact O-N 2.93Å
38	S	67.7	Low	70.6	Confident	114 Å²	114	89 Å²	89	80%	0.797	47%	0.472	S	S	*	.			trans	-62.7	93.2	176.8	54.8	0	0	0	0	105.5	K36 K40	K36-S38 PolarHBondContact O-N 2.84Å; S38-K40 PolarHBondContact O-N 3.41Å
39	D	80.5	Confident	72.9	Confident	67 Å²	67	86.8 Å²	86.8	36%	0.358	46%	0.463	S	S	.	.	P	Polyproline II helix	trans	-67.7	123	-175.4	-159.2	-13.5	0	0	0	107.6	V37 K41 T54 S56	V37-D39 PolarHBondContact O-N 2.93Å; D39-K41 PolarHBondContact O-N 2.93Å; D39-K41 VanDerWaalsContact O-N 3.17Å; D39-T54 HydrophobicContact CB-CG2 3.38Å; D39-T54 WeakPolarHBondContact OD1-CG2 3.42Å; D39-T54 WeakPolarHBondContact OD2-CG2 3.39Å; D39-S56 PolarHBondContact OD1-N 3.23Å; D39-S56 WeakPolarHBondContact OD2-CB 3.44Å; D39-S56 PolarHBondContact OD2-OG 2.93Å
40	K	89.4	Confident	75.2	Confident	141 Å²	141	87.4 Å²	87.4	61%	0.613	46%	0.463	S	S	*	.	P	Polyproline II helix	trans	-62.9	123.4	-170.2	-176.3	179.1	175.3	-174	0	107.8	S38 E55	S38-K40 PolarHBondContact O-N 3.41Å; K40-E55 HydrophobicContact CB-CB 4.32Å; K40-E55 VanDerWaalsContact O-CB 3.28Å; K40-E55 WeakPolarHBondContact O-CB 3.41Å; K40-E55 PolarHBondContact O-N 3.47Å
41	K	91.2	Very high	77.4	Confident	130 Å²	130	83.9 Å²	83.9	57%	0.565	44%	0.444	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.6	138.5	171	-69.5	-174.4	170.5	-163	0	109.6	D39 E52 L53	D39-K41 PolarHBondContact O-N 2.93Å; D39-K41 VanDerWaalsContact O-N 3.17Å; K41-E52 IonicContact NZ-OE2 3.91Å; K41-E52 PolarHBondContact NZ-OE2 3.35Å; K41-L53 CarbonylContact C-O 3.56Å; K41-L53 WeakPolarHBondContact CA-O 3.39Å
42	I	92.4	Very high	79.5	Confident	7 Å²	7	84.8 Å²	84.8	4%	0.036	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	136.4	169.5	61.3	170.3	0	0	0	108.6	I44 L53 E55 V58 Y82	I42-I44 HydrophobicContact CD1-CD1 4.11Å; I42-I44 HydrophobicContact CD1-CG1 4.38Å; I42-L53 HydrophobicContact CD1-CB 4.03Å; I42-L53 HydrophobicContact CG1-CB 3.8Å; I42-L53 VanDerWaalsContact CG1-O 3.31Å; I42-L53 WeakPolarHBondContact CG1-O 2.86Å; I42-L53 PolarHBondContact N-O 2.89Å; I42-L53 PolarHBondContact O-N 2.94Å; I42-L53 VanDerWaalsContact O-N 3.08Å; I42-E55 WeakPolarHBondContact CG2-OE2 3.32Å; I42-V58 HydrophobicContact CD1-CB 4.35Å; I42-V58 HydrophobicContact CD1-CG2 3.67Å; I42-Y82 HydrophobicContact CB-CD2 4.42Å; I42-Y82 HydrophobicContact CB-CE2 4.16Å; I42-Y82 HydrophobicContact CG2-CE2 4.16Å
43	I	95.5	Very high	81.6	Confident	59 Å²	59	80.8 Å²	80.8	30%	0.303	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	126.9	176.5	-56.9	175.4	0	0	0	107	E81 Y82	I43-E81 HydrophobicContact CB-CB 3.95Å; I43-E81 HydrophobicContact CG2-CB 3.86Å; I43-E81 WeakPolarHBondContact O-CA 3.27Å; I43-Y82 PolarHBondContact O-N 3.2Å
44	I	96.3	Very high	84	Confident	0 Å²	0	74.2 Å²	74.2	0%	0	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	112.8	-179.7	-56.1	172.3	0	0	0	107.4	I42 V46 H50 F51 L53 L66 Y82 F84 F91	I42-I44 HydrophobicContact CD1-CD1 4.11Å; I42-I44 HydrophobicContact CD1-CG1 4.38Å; I44-V46 HydrophobicContact CG2-CG2 3.97Å; I44-H50 CarbonylContact O-C 3.54Å; I44-F51 HydrophobicContact CB-CB 4.41Å; I44-F51 PolarHBondContact N-O 3.45Å; I44-F51 PolarHBondContact O-N 2.85Å; I44-L53 HydrophobicContact CD1-CB 4.42Å; I44-L53 HydrophobicContact CD1-CD1 3.83Å; I44-L53 HydrophobicContact CD1-CG 4.33Å; I44-L66 HydrophobicContact CD1-CD1 3.9Å; I44-L66 HydrophobicContact CD1-CD2 4.26Å; I44-Y82 CarbonylContact C-O 3.56Å; I44-Y82 WeakPolarHBondContact CA-O 3.47Å; I44-F84 HydrophobicContact CG2-CD2 3.64Å; I44-F84 HydrophobicContact CG2-CE2 3.78Å; I44-F91 HydrophobicContact CB-CZ 4.49Å; I44-F91 HydrophobicContact CD1-CZ 4.09Å; I44-F91 HydrophobicContact CG2-CE1 4.2Å; I44-F91 HydrophobicContact CG2-CE2 4.46Å; I44-F91 HydrophobicContact CG2-CZ 3.79Å
45	N	96.9	Very high	86.1	Confident	14 Å²	14	69.1 Å²	69.1	8%	0.075	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	117.5	176.4	-178	-4.7	0	0	0	109.6	G48 E81 Y82 F83 F84	N45-G48 WeakPolarHBondContact OD1-CA 2.98Å; N45-G48 PolarHBondContact OD1-N 3.46Å; N45-E81 HydrophobicContact CB-CG 4.32Å; N45-E81 WeakPolarHBondContact CB-OE1 3.48Å; N45-E81 PolarHBondContact ND2-OE1 3.12Å; N45-Y82 PolarHBondContact N-O 3Å; N45-F83 HydrophobicContact CB-CD2 4.15Å; N45-F83 CarbonylContact O-C 3.6Å; N45-F83 WeakPolarHBondContact O-CA 3.1Å; N45-F84 PolarHBondContact O-N 3.46Å
46	V	96.7	Very high	88.1	Confident	0 Å²	0	66.3 Å²	66.3	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	101.3	178.5	-175.5	0	0	0	0	108.8	I44 G48 V49 F51 F84 R86 P88 F91	I44-V46 HydrophobicContact CG2-CG2 3.97Å; V46-G48 PolarHBondContact O-N 3.03Å; V46-G48 VanDerWaalsContact O-N 3.07Å; V46-V49 PolarHBondContact N-O 3.06Å; V46-V49 PolarHBondContact O-N 3.35Å; V46-F51 HydrophobicContact CB-CD2 4.26Å; V46-F51 HydrophobicContact CB-CE2 3.99Å; V46-F51 HydrophobicContact CG2-CD2 3.89Å; V46-F51 HydrophobicContact CG2-CE2 4.04Å; V46-F84 CarbonylContact C-O 3.58Å; V46-F84 WeakPolarHBondContact CA-O 3.48Å; V46-F84 HydrophobicContact CG2-CB 4.43Å; V46-R86 HydrophobicContact CG1-CB 4.05Å; V46-R86 VanDerWaalsContact CG1-O 3.24Å; V46-R86 WeakPolarHBondContact CG1-O 3.34Å; V46-P88 HydrophobicContact CB-CB 4.31Å; V46-P88 HydrophobicContact CG1-CB 4.11Å; V46-F91 HydrophobicContact CG1-CB 4.18Å; V46-F91 HydrophobicContact CG1-CG 4.49Å; V46-F91 HydrophobicContact CG2-CB 4.24Å; V46-F91 HydrophobicContact CG2-CD1 3.73Å; V46-F91 HydrophobicContact CG2-CD2 3.97Å; V46-F91 HydrophobicContact CG2-CE1 4.02Å; V46-F91 HydrophobicContact CG2-CE2 4.25Å; V46-F91 HydrophobicContact CG2-CG 3.7Å; V46-F91 HydrophobicContact CG2-CZ 4.27Å
47	S	94.9	Very high	90.2	Very high	53 Å²	53	58 Å²	58	37%	0.371	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	43.8	40.8	-175.8	-60.4	0	0	0	0	113.9	F84 D85 R86	S47-F84 PolarHBondContact N-O 3.32Å; S47-D85 WeakPolarHBondContact OG-CA 3.42Å; S47-D85 PolarHBondContact OG-OD1 3.26Å; S47-D85 VanDerWaalsContact OG-OD1 3.07Å; S47-R86 WeakPolarHBondContact CB-O 3.41Å; S47-R86 PolarHBondContact OG-N 3.17Å; S47-R86 VanDerWaalsContact OG-N 3.07Å; S47-R86 PolarHBondContact OG-O 3.3Å
48	G	93.4	Very high	91.9	Very high	48 Å²	48	52.3 Å²	52.3	50%	0.495	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	100.7	-12.5	178.1	0	0	0	0	0	115.2	N45 V46 H50	N45-G48 WeakPolarHBondContact OD1-CA 2.98Å; N45-G48 PolarHBondContact OD1-N 3.46Å; V46-G48 PolarHBondContact O-N 3.03Å; V46-G48 VanDerWaalsContact O-N 3.07Å; G48-H50 PolarHBondContact O-CE1 3.39Å; G48-H50 PolarHBondContact O-ND1 3.31Å; G48-H50 VanDerWaalsContact O-ND1 3.17Å
49	V	96.5	Very high	93.1	Very high	54 Å²	54	53 Å²	53	33%	0.327	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	121.1	176.7	-175.4	0	0	0	0	109.6	V46 F51 P88	V46-V49 PolarHBondContact N-O 3.06Å; V46-V49 PolarHBondContact O-N 3.35Å; V49-F51 HydrophobicContact CB-CE2 3.92Å; V49-F51 HydrophobicContact CB-CZ 4.34Å; V49-F51 HydrophobicContact CG1-CD2 4.34Å; V49-F51 HydrophobicContact CG1-CE1 4.32Å; V49-F51 HydrophobicContact CG1-CE2 3.59Å; V49-F51 HydrophobicContact CG1-CZ 3.6Å; V49-F51 WeakPolarHBondContact O-CD2 3.3Å; V49-P88 HydrophobicContact CB-CB 3.69Å; V49-P88 HydrophobicContact CB-CG 4.47Å; V49-P88 HydrophobicContact CG1-CB 4.34Å; V49-P88 HydrophobicContact CG2-CB 3.58Å; V49-P88 HydrophobicContact CG2-CG 3.83Å
50	H	96	Very high	93.6	Very high	114 Å²	114	56.4 Å²	56.4	53%	0.528	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	130.5	-176.3	-58.1	68.3	0	0	0	110.4	I44 G48 E81	I44-H50 CarbonylContact O-C 3.54Å; G48-H50 PolarHBondContact O-CE1 3.39Å; G48-H50 PolarHBondContact O-ND1 3.31Å; G48-H50 VanDerWaalsContact O-ND1 3.17Å; H50-E81 IonicContact CD2-OE2 2.79Å; H50-E81 PolarHBondContact CD2-OE2 2.89Å; H50-E81 VanDerWaalsContact CD2-OE2 3.25Å; H50-E81 IonicContact NE2-OE2 3.49Å; H50-E81 PolarHBondContact NE2-OE2 2.63Å
51	F	96.3	Very high	93.8	Very high	15 Å²	15	51.7 Å²	51.7	7%	0.066	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	143.6	175.3	-62.8	-83.1	0	0	0	109.5	I44 V46 V49 P88 F91 R92 L95	I44-F51 HydrophobicContact CB-CB 4.41Å; I44-F51 PolarHBondContact N-O 3.45Å; I44-F51 PolarHBondContact O-N 2.85Å; V46-F51 HydrophobicContact CB-CD2 4.26Å; V46-F51 HydrophobicContact CB-CE2 3.99Å; V46-F51 HydrophobicContact CG2-CD2 3.89Å; V46-F51 HydrophobicContact CG2-CE2 4.04Å; V49-F51 HydrophobicContact CB-CE2 3.92Å; V49-F51 HydrophobicContact CB-CZ 4.34Å; V49-F51 HydrophobicContact CG1-CD2 4.34Å; V49-F51 HydrophobicContact CG1-CE1 4.32Å; V49-F51 HydrophobicContact CG1-CE2 3.59Å; V49-F51 HydrophobicContact CG1-CZ 3.6Å; V49-F51 WeakPolarHBondContact O-CD2 3.3Å; F51-P88 HydrophobicContact CE2-CB 4.24Å; F51-P88 HydrophobicContact CZ-CB 4.41Å; F51-P88 WeakPolarHBondContact CZ-O 3.48Å; F51-F91 HydrophobicContact CB-CD1 4.44Å; F51-F91 HydrophobicContact CB-CE1 3.89Å; F51-F91 HydrophobicContact CD1-CD1 4.24Å; F51-F91 HydrophobicContact CD1-CE1 4.42Å; F51-F91 AromaticContact CD2-CD1 3.45Å; F51-F91 HydrophobicContact CD2-CD1 3.45Å; F51-F91 VanDerWaalsContact CD2-CD1 3.45Å; F51-F91 AromaticContact CD2-CE1 3.68Å; F51-F91 HydrophobicContact CD2-CE1 3.68Å; F51-F91 HydrophobicContact CE1-CD1 4.34Å; F51-F91 HydrophobicContact CE2-CB 4.49Å; F51-F91 AromaticContact CE2-CD1 3.59Å; F51-F91 HydrophobicContact CE2-CD1 3.59Å; F51-F91 HydrophobicContact CE2-CE1 4.3Å; F51-F91 HydrophobicContact CE2-CG 4.42Å; F51-F91 AromaticContact CG-CD1 3.78Å; F51-F91 HydrophobicContact CG-CD1 3.78Å; F51-F91 AromaticContact CG-CE1 3.74Å; F51-F91 HydrophobicContact CG-CE1 3.74Å; F51-F91 HydrophobicContact CZ-CD1 4.03Å; F51-R92 HydrophobicContact CE1-CG 3.95Å; F51-R92 HydrophobicContact CZ-CG 4.18Å; F51-L95 HydrophobicContact CB-CD1 4.44Å; F51-L95 HydrophobicContact CD1-CD2 3.77Å; F51-L95 HydrophobicContact CE1-CD2 4.39Å
52	E	93.8	Very high	93.8	Very high	111 Å²	111	49.7 Å²	49.7	52%	0.519	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	131	176.3	-67.9	-175	-170.9	0	0	110.2	K41	K41-E52 IonicContact NZ-OE2 3.91Å; K41-E52 PolarHBondContact NZ-OE2 3.35Å
53	L	93.3	Very high	93.6	Very high	5 Å²	5	53.7 Å²	53.7	3%	0.026	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	160.5	167.5	-79.7	177.7	0	0	0	110	K41 I42 I44 L57 V58 L95 Y98 Q99	K41-L53 CarbonylContact C-O 3.56Å; K41-L53 WeakPolarHBondContact CA-O 3.39Å; I42-L53 HydrophobicContact CD1-CB 4.03Å; I42-L53 HydrophobicContact CG1-CB 3.8Å; I42-L53 VanDerWaalsContact CG1-O 3.31Å; I42-L53 WeakPolarHBondContact CG1-O 2.86Å; I42-L53 PolarHBondContact N-O 2.89Å; I42-L53 PolarHBondContact O-N 2.94Å; I42-L53 VanDerWaalsContact O-N 3.08Å; I44-L53 HydrophobicContact CD1-CB 4.42Å; I44-L53 HydrophobicContact CD1-CD1 3.83Å; I44-L53 HydrophobicContact CD1-CG 4.33Å; L53-L57 HydrophobicContact CD2-CD1 4.35Å; L53-V58 HydrophobicContact CB-CG2 3.91Å; L53-V58 HydrophobicContact CD1-CG2 3.63Å; L53-V58 HydrophobicContact CG-CG2 4.37Å; L53-L95 HydrophobicContact CD1-CD1 3.74Å; L53-L95 HydrophobicContact CD2-CD1 3.4Å; L53-L95 HydrophobicContact CD2-CG 4.4Å; L53-L95 HydrophobicContact CG-CD1 3.38Å; L53-Y98 HydrophobicContact CD1-CD2 4.31Å; L53-Y98 HydrophobicContact CD1-CG 4.24Å; L53-Q99 HydrophobicContact CD2-CG 3.91Å
54	T	92.9	Very high	93.5	Very high	40 Å²	40	50.9 Å²	50.9	25%	0.245	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	139.2	173	-51.2	0	0	0	0	109.3	D39 S56 L57 V58	D39-T54 HydrophobicContact CB-CG2 3.38Å; D39-T54 WeakPolarHBondContact OD1-CG2 3.42Å; D39-T54 WeakPolarHBondContact OD2-CG2 3.39Å; T54-S56 PolarHBondContact O-N 3.06Å; T54-L57 WeakPolarHBondContact O-CB 3.36Å; T54-L57 PolarHBondContact O-N 3.32Å; T54-V58 PolarHBondContact O-N 3.31Å
55	E	91.1	Very high	93.5	Very high	35 Å²	35	51.4 Å²	51.4	16%	0.164	28%	0.281	C	S	.	.	H	α-helix	trans	-55.4	-37	-177.7	-177.5	69.6	177.4	0	0	112.5	K40 I42 V58 K59 R71	K40-E55 HydrophobicContact CB-CB 4.32Å; K40-E55 VanDerWaalsContact O-CB 3.28Å; K40-E55 WeakPolarHBondContact O-CB 3.41Å; K40-E55 PolarHBondContact O-N 3.47Å; I42-E55 WeakPolarHBondContact CG2-OE2 3.32Å; E55-V58 PolarHBondContact O-N 3.25Å; E55-K59 HydrophobicContact CG-CD 4.15Å; E55-K59 WeakPolarHBondContact O-CG 3.49Å; E55-K59 PolarHBondContact O-N 3.33Å; E55-K59 WeakPolarHBondContact OE1-CE 3.48Å; E55-K59 IonicContact OE1-NZ 3.25Å; E55-K59 PolarHBondContact OE1-NZ 3.4Å; E55-R71 IonicContact OE1-NH2 3.08Å; E55-R71 IonicContact OE2-CZ 3.39Å; E55-R71 IonicContact OE2-NH1 3.64Å; E55-R71 IonicContact OE2-NH2 3Å; E55-R71 PolarHBondContact OE2-NH2 3.46Å
56	S	90.5	Very high	93.4	Very high	56 Å²	56	50.7 Å²	50.7	39%	0.392	28%	0.277	S	S	.	.	H	α-helix	trans	-63.4	-38.1	175.3	63.3	0	0	0	0	114.7	D39 T54 V58 R60	D39-S56 PolarHBondContact OD1-N 3.23Å; D39-S56 WeakPolarHBondContact OD2-CB 3.44Å; D39-S56 PolarHBondContact OD2-OG 2.93Å; T54-S56 PolarHBondContact O-N 3.06Å; S56-V58 VanDerWaalsContact C-N 3.28Å; S56-V58 PolarHBondContact O-N 3.14Å; S56-R60 PolarHBondContact O-N 2.92Å
57	L	92.6	Very high	93.1	Very high	34 Å²	34	51.5 Å²	51.5	18%	0.178	29%	0.285	C	S	.	.	H	α-helix	trans	-65.8	-37.4	179.2	-71.3	175.5	0	0	0	110.9	L53 T54 R60 Q99	L53-L57 HydrophobicContact CD2-CD1 4.35Å; T54-L57 WeakPolarHBondContact O-CB 3.36Å; T54-L57 PolarHBondContact O-N 3.32Å; L57-R60 VanDerWaalsContact O-CB 3.3Å; L57-R60 WeakPolarHBondContact O-CB 3.45Å; L57-R60 PolarHBondContact O-N 2.89Å; L57-Q99 HydrophobicContact CD1-CG 4.49Å
58	V	92.3	Very high	93	Very high	1 Å²	1	50 Å²	50	1%	0.006	28%	0.275	C	S	.	.	H	α-helix	trans	-75.9	-40.6	-178	-179	0	0	0	0	111.6	I42 L53 T54 E55 S56 R60 Y61 L66 G67 Y98	I42-V58 HydrophobicContact CD1-CB 4.35Å; I42-V58 HydrophobicContact CD1-CG2 3.67Å; L53-V58 HydrophobicContact CB-CG2 3.91Å; L53-V58 HydrophobicContact CD1-CG2 3.63Å; L53-V58 HydrophobicContact CG-CG2 4.37Å; T54-V58 PolarHBondContact O-N 3.31Å; E55-V58 PolarHBondContact O-N 3.25Å; S56-V58 VanDerWaalsContact C-N 3.28Å; S56-V58 PolarHBondContact O-N 3.14Å; V58-R60 PolarHBondContact O-N 3.01Å; V58-R60 VanDerWaalsContact O-N 3.12Å; V58-Y61 PolarHBondContact O-N 3.29Å; V58-Y61 VanDerWaalsContact O-N 3.15Å; V58-L66 HydrophobicContact CG1-CB 3.72Å; V58-L66 WeakPolarHBondContact CG1-O 3.42Å; V58-G67 WeakPolarHBondContact O-CA 3.31Å; V58-Y98 HydrophobicContact CG1-CD1 4.49Å; V58-Y98 HydrophobicContact CG1-CE1 4.22Å; V58-Y98 HydrophobicContact CG2-CD1 4.33Å
59	K	91.8	Very high	92.9	Very high	128 Å²	128	53.9 Å²	53.9	56%	0.557	29%	0.289	S	S	*	.	H	α-helix	trans	-62.4	-16.4	173.7	-76.1	178.7	174.1	159.4	0	114.5	E55 Y61	E55-K59 HydrophobicContact CG-CD 4.15Å; E55-K59 WeakPolarHBondContact O-CG 3.49Å; E55-K59 PolarHBondContact O-N 3.33Å; E55-K59 WeakPolarHBondContact OE1-CE 3.48Å; E55-K59 IonicContact OE1-NZ 3.25Å; E55-K59 PolarHBondContact OE1-NZ 3.4Å; K59-Y61 PolarHBondContact O-N 3.41Å
60	R	91.6	Very high	92.6	Very high	140 Å²	140	56 Å²	56	53%	0.528	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-27.6	174.7	-169.8	-179.3	-64.4	174.9	1.5	112.6	S56 L57 V58 P62	S56-R60 PolarHBondContact O-N 2.92Å; L57-R60 VanDerWaalsContact O-CB 3.3Å; L57-R60 WeakPolarHBondContact O-CB 3.45Å; L57-R60 PolarHBondContact O-N 2.89Å; V58-R60 PolarHBondContact O-N 3.01Å; V58-R60 VanDerWaalsContact O-N 3.12Å; R60-P62 VanDerWaalsContact C-CD 3.47Å; R60-P62 WeakPolarHBondContact O-CD 3.45Å
61	Y	93.1	Very high	92.5	Very high	42 Å²	42	51 Å²	51	17%	0.165	27%	0.272	C	S	.	.			trans	-121.2	70.1	-176.3	-58.4	-73.3	0	0	0	110.6	V58 K59 S63 T64 G67 Y97 Y98 G101	V58-Y61 PolarHBondContact O-N 3.29Å; V58-Y61 VanDerWaalsContact O-N 3.15Å; K59-Y61 PolarHBondContact O-N 3.41Å; Y61-S63 PolarHBondContact O-N 3.19Å; Y61-S63 VanDerWaalsContact O-N 3.1Å; Y61-T64 PolarHBondContact O-N 2.82Å; Y61-T64 VanDerWaalsContact O-N 3.17Å; Y61-T64 PolarHBondContact O-OG1 2.74Å; Y61-G67 WeakPolarHBondContact O-CA 3.43Å; Y61-Y97 HydrophobicContact CD1-CE1 4.16Å; Y61-Y97 AromaticContact CD1-CZ 3.91Å; Y61-Y97 VanDerWaalsContact CD1-OH 3.31Å; Y61-Y97 WeakPolarHBondContact CD1-OH 3.45Å; Y61-Y97 HydrophobicContact CD2-CE1 4.29Å; Y61-Y97 HydrophobicContact CE1-CE1 4.46Å; Y61-Y97 AromaticContact CE1-CZ 3.96Å; Y61-Y97 HydrophobicContact CG-CE1 4.07Å; Y61-Y98 AromaticContact CD2-CD1 3.77Å; Y61-Y98 HydrophobicContact CD2-CD1 3.77Å; Y61-Y98 HydrophobicContact CD2-CE1 4.25Å; Y61-G101 WeakPolarHBondContact OH-CA 3.45Å
62	P	91.8	Very high	92.3	Very high	88 Å²	88	54.7 Å²	54.7	57%	0.571	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-15.1	-173	28.3	-36.6	0	0	0	114.4	R60 T64 S68	R60-P62 VanDerWaalsContact C-CD 3.47Å; R60-P62 WeakPolarHBondContact O-CD 3.45Å; P62-T64 VanDerWaalsContact C-N 3.31Å; P62-S68 WeakPolarHBondContact O-CB 3.36Å
63	S	88.5	Confident	92.2	Very high	90 Å²	90	58.8 Å²	58.8	63%	0.629	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-11	178	60.2	0	0	0	0	113.8	Y61	Y61-S63 PolarHBondContact O-N 3.19Å; Y61-S63 VanDerWaalsContact O-N 3.1Å
64	T	94.2	Very high	92.3	Very high	1 Å²	1	61.1 Å²	61.1	1%	0.006	31%	0.311	C	S	.	.	S	Bend	trans	-95.7	159.2	-178.8	64.9	0	0	0	0	110.4	Y61 P62 L66 G67 S68 Y97 Y98 F121 I123	Y61-T64 PolarHBondContact O-N 2.82Å; Y61-T64 VanDerWaalsContact O-N 3.17Å; Y61-T64 PolarHBondContact O-OG1 2.74Å; P62-T64 VanDerWaalsContact C-N 3.31Å; T64-L66 VanDerWaalsContact C-N 3.31Å; T64-L66 PolarHBondContact O-N 3.49Å; T64-G67 CarbonylContact O-C 3.58Å; T64-G67 PolarHBondContact O-N 3.04Å; T64-S68 VanDerWaalsContact O-CB 3.28Å; T64-S68 WeakPolarHBondContact O-CB 3.29Å; T64-S68 PolarHBondContact O-N 3.06Å; T64-S68 PolarHBondContact O-OG 3.1Å; T64-Y97 HydrophobicContact CG2-CE1 4.25Å; T64-Y98 WeakPolarHBondContact CB-OH 3.32Å; T64-Y98 WeakPolarHBondContact OG1-CE1 3.18Å; T64-Y98 PolarHBondContact OG1-OH 2.97Å; T64-F121 WeakPolarHBondContact CB-O 3.4Å; T64-I123 HydrophobicContact CG2-CG1 3.68Å
65	L	94.9	Very high	92.4	Very high	10 Å²	10	63.3 Å²	63.3	5%	0.052	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-44.6	-176.1	-177	154.7	0	0	0	112.4	G67 S68 E70 R71 F74 F84 Y120 F121	L65-G67 VanDerWaalsContact C-N 3.32Å; L65-S68 PolarHBondContact O-OG 3.33Å; L65-E70 HydrophobicContact CG-CB 4.37Å; L65-R71 WeakPolarHBondContact O-CB 3.49Å; L65-R71 PolarHBondContact O-N 3.08Å; L65-F74 HydrophobicContact CD1-CE2 4.08Å; L65-F74 HydrophobicContact CD2-CD2 4.29Å; L65-F74 HydrophobicContact CD2-CE2 4.31Å; L65-F84 HydrophobicContact CD2-CE1 3.56Å; L65-F84 HydrophobicContact CD2-CZ 3.69Å; L65-Y120 HydrophobicContact CD1-CE1 4.33Å; L65-Y120 VanDerWaalsContact CD1-O 3.24Å; L65-Y120 WeakPolarHBondContact CD1-O 3.24Å; L65-F121 HydrophobicContact CD2-CD1 4.46Å; L65-F121 PolarHBondContact N-O 3.16Å
66	L	94.4	Very high	92.5	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-30.7	-178.5	-61.7	175	0	0	0	112	I44 V58 T64 R71 F84 F91 Y98 F121	I44-L66 HydrophobicContact CD1-CD1 3.9Å; I44-L66 HydrophobicContact CD1-CD2 4.26Å; V58-L66 HydrophobicContact CG1-CB 3.72Å; V58-L66 WeakPolarHBondContact CG1-O 3.42Å; T64-L66 VanDerWaalsContact C-N 3.31Å; T64-L66 PolarHBondContact O-N 3.49Å; L66-R71 HydrophobicContact CD2-CG 3.97Å; L66-R71 WeakPolarHBondContact O-CD 3.2Å; L66-R71 PolarHBondContact O-NE 2.95Å; L66-R71 PolarHBondContact O-NH1 2.86Å; L66-F84 HydrophobicContact CD2-CE2 3.63Å; L66-F84 HydrophobicContact CD2-CZ 3.52Å; L66-F91 HydrophobicContact CD1-CE2 4.09Å; L66-F91 HydrophobicContact CD1-CZ 4.03Å; L66-Y98 HydrophobicContact CB-CE1 4.25Å; L66-Y98 HydrophobicContact CB-CE2 4.39Å; L66-Y98 WeakPolarHBondContact CB-OH 3.43Å; L66-Y98 HydrophobicContact CD1-CD2 4.29Å; L66-Y98 HydrophobicContact CD1-CE2 3.67Å; L66-Y98 HydrophobicContact CG-CE2 4.41Å; L66-F121 HydrophobicContact CD1-CD1 4.42Å; L66-F121 HydrophobicContact CD2-CE1 4.37Å; L66-F121 HydrophobicContact CG-CD1 4.13Å; L66-F121 HydrophobicContact CG-CE1 4.37Å
67	G	91.8	Very high	92.6	Very high	16 Å²	16	65.9 Å²	65.9	17%	0.165	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-18.3	-179.3	0	0	0	0	0	114.1	V58 Y61 T64 L65	V58-G67 WeakPolarHBondContact O-CA 3.31Å; Y61-G67 WeakPolarHBondContact O-CA 3.43Å; T64-G67 CarbonylContact O-C 3.58Å; T64-G67 PolarHBondContact O-N 3.04Å; L65-G67 VanDerWaalsContact C-N 3.32Å
68	S	92.4	Very high	92.6	Very high	23 Å²	23	71.2 Å²	71.2	16%	0.161	36%	0.361	C	S	.	.	S	Bend	trans	-89.1	173.2	176.9	79.6	0	0	0	0	111.3	P62 T64 L65 E70	P62-S68 WeakPolarHBondContact O-CB 3.36Å; T64-S68 VanDerWaalsContact O-CB 3.28Å; T64-S68 WeakPolarHBondContact O-CB 3.29Å; T64-S68 PolarHBondContact O-N 3.06Å; T64-S68 PolarHBondContact O-OG 3.1Å; L65-S68 PolarHBondContact O-OG 3.33Å; S68-E70 PolarHBondContact O-N 3.21Å; S68-E70 VanDerWaalsContact OG-CB 3.26Å; S68-E70 WeakPolarHBondContact OG-CB 3.42Å; S68-E70 VanDerWaalsContact OG-CG 3.28Å; S68-E70 WeakPolarHBondContact OG-CG 3.3Å; S68-E70 PolarHBondContact OG-N 3.41Å; S68-E70 VanDerWaalsContact OG-N 3.16Å; S68-E70 PolarHBondContact OG-OE2 3.41Å
69	V	91.1	Very high	92.5	Very high	128 Å²	128	75.9 Å²	75.9	78%	0.776	39%	0.386	S	S	*	.	G	3₁₀ helix	trans	-70	-5.6	173.1	-63.4	0	0	0	0	113.4	R71 E72	V69-R71 PolarHBondContact O-N 3.07Å; V69-E72 WeakPolarHBondContact CA-OE2 3.45Å
70	E	91	Very high	92.6	Very high	100 Å²	100	74.5 Å²	74.5	47%	0.467	38%	0.384	S	S	.	.	G	3₁₀ helix	trans	-70.9	-25.8	-179.4	-61.4	165.7	159.6	0	0	111.1	L65 S68 E72 Y73	L65-E70 HydrophobicContact CG-CB 4.37Å; S68-E70 PolarHBondContact O-N 3.21Å; S68-E70 VanDerWaalsContact OG-CB 3.26Å; S68-E70 WeakPolarHBondContact OG-CB 3.42Å; S68-E70 VanDerWaalsContact OG-CG 3.28Å; S68-E70 WeakPolarHBondContact OG-CG 3.3Å; S68-E70 PolarHBondContact OG-N 3.41Å; S68-E70 VanDerWaalsContact OG-N 3.16Å; S68-E70 PolarHBondContact OG-OE2 3.41Å; E70-E72 PolarHBondContact O-N 2.97Å; E70-Y73 WeakPolarHBondContact O-CB 3.47Å; E70-Y73 PolarHBondContact O-N 2.8Å
71	R	92.7	Very high	92.8	Very high	8 Å²	8	68.5 Å²	68.5	3%	0.03	36%	0.363	C	S	.	.	G	3₁₀ helix	trans	-59	-35.1	178.1	-168.6	-176.3	57.3	-164.4	14.5	112.4	E55 L65 L66 V69 Y73 F74 Y82 F84	E55-R71 IonicContact OE1-NH2 3.08Å; E55-R71 IonicContact OE2-CZ 3.39Å; E55-R71 IonicContact OE2-NH1 3.64Å; E55-R71 IonicContact OE2-NH2 3Å; E55-R71 PolarHBondContact OE2-NH2 3.46Å; L65-R71 WeakPolarHBondContact O-CB 3.49Å; L65-R71 PolarHBondContact O-N 3.08Å; L66-R71 HydrophobicContact CD2-CG 3.97Å; L66-R71 WeakPolarHBondContact O-CD 3.2Å; L66-R71 PolarHBondContact O-NE 2.95Å; L66-R71 PolarHBondContact O-NH1 2.86Å; V69-R71 PolarHBondContact O-N 3.07Å; R71-Y73 PolarHBondContact O-N 2.96Å; R71-Y73 VanDerWaalsContact O-N 3.14Å; R71-F74 PolarHBondContact O-N 3.07Å; R71-Y82 HydrophobicContact CB-CE1 4.35Å; R71-Y82 HydrophobicContact CG-CD1 3.5Å; R71-Y82 HydrophobicContact CG-CD2 4.49Å; R71-Y82 HydrophobicContact CG-CE1 3.55Å; R71-Y82 HydrophobicContact CG-CG 3.97Å; R71-Y82 VanDerWaalsContact NE-CZ 3.29Å; R71-Y82 PolarHBondContact NE-OH 3.44Å; R71-Y82 PolarHBondContact NH2-OH 2.97Å; R71-Y82 VanDerWaalsContact O-CD1 3.31Å; R71-Y82 WeakPolarHBondContact O-CD1 3.09Å; R71-Y82 WeakPolarHBondContact O-CE1 3.03Å; R71-F84 HydrophobicContact CG-CZ 4.45Å
72	E	92	Very high	92.9	Very high	93 Å²	93	67.5 Å²	67.5	44%	0.435	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-59.1	-25	179.6	-81.3	54.9	-128.7	0	0	113.1	V69 E70 F74 Y75 Y82	V69-E72 WeakPolarHBondContact CA-OE2 3.45Å; E70-E72 PolarHBondContact O-N 2.97Å; E72-F74 PolarHBondContact O-N 3.43Å; E72-Y75 WeakPolarHBondContact O-CB 3.48Å; E72-Y75 PolarHBondContact O-N 3.15Å; E72-Y82 PolarHBondContact OE1-OH 3.06Å
73	Y	92.6	Very high	93.1	Very high	197 Å²	197	67.5 Å²	67.5	77%	0.773	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-63.6	-26.9	173.6	-174.8	-97.5	0	0	0	113	E70 R71	E70-Y73 WeakPolarHBondContact O-CB 3.47Å; E70-Y73 PolarHBondContact O-N 2.8Å; R71-Y73 PolarHBondContact O-N 2.96Å; R71-Y73 VanDerWaalsContact O-N 3.14Å
74	F	94.1	Very high	93.5	Very high	53 Å²	53	63.2 Å²	63.2	23%	0.232	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-98.8	10.2	-176.7	-59.8	-82.5	0	0	0	112.8	L65 R71 E72 Y82 F83 F84 Y120	L65-F74 HydrophobicContact CD1-CE2 4.08Å; L65-F74 HydrophobicContact CD2-CD2 4.29Å; L65-F74 HydrophobicContact CD2-CE2 4.31Å; R71-F74 PolarHBondContact O-N 3.07Å; E72-F74 PolarHBondContact O-N 3.43Å; F74-Y82 CarbonylContact O-C 3.59Å; F74-Y82 WeakPolarHBondContact O-CA 3.39Å; F74-F83 PolarHBondContact O-N 3.35Å; F74-F84 HydrophobicContact CB-CD1 4.45Å; F74-F84 HydrophobicContact CB-CE1 3.85Å; F74-F84 HydrophobicContact CB-CZ 3.91Å; F74-F84 HydrophobicContact CD1-CD1 4.07Å; F74-F84 AromaticContact CD1-CE1 3.95Å; F74-F84 HydrophobicContact CD1-CE1 3.95Å; F74-F84 AromaticContact CD2-CE1 3.66Å; F74-F84 HydrophobicContact CD2-CE1 3.66Å; F74-F84 HydrophobicContact CD2-CZ 4.18Å; F74-F84 HydrophobicContact CE1-CE1 4.44Å; F74-F84 HydrophobicContact CE2-CE1 4.18Å; F74-F84 HydrophobicContact CG-CD1 4.1Å; F74-F84 AromaticContact CG-CE1 3.52Å; F74-F84 HydrophobicContact CG-CE1 3.52Å; F74-F84 HydrophobicContact CG-CZ 4.05Å; F74-Y120 VanDerWaalsContact CE1-OH 3.31Å; F74-Y120 WeakPolarHBondContact CE1-OH 3.43Å
75	Y	95.3	Very high	93.6	Very high	86 Å²	86	69.1 Å²	69.1	34%	0.337	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	120.7	-177.9	-170	-109.4	0	0	0	111.8	E72 N80 Y82	E72-Y75 WeakPolarHBondContact O-CB 3.48Å; E72-Y75 PolarHBondContact O-N 3.15Å; Y75-N80 PolarHBondContact OH-OD1 3.46Å; Y75-Y82 AromaticContact CD2-CD1 3.65Å; Y75-Y82 HydrophobicContact CD2-CD1 3.65Å; Y75-Y82 HydrophobicContact CD2-CD2 4.15Å; Y75-Y82 AromaticContact CD2-CE1 3.43Å; Y75-Y82 HydrophobicContact CD2-CE1 3.43Å; Y75-Y82 VanDerWaalsContact CD2-CE1 3.43Å; Y75-Y82 AromaticContact CD2-CE2 3.93Å; Y75-Y82 HydrophobicContact CD2-CE2 3.93Å; Y75-Y82 HydrophobicContact CD2-CG 4.04Å; Y75-Y82 AromaticContact CD2-CZ 3.59Å; Y75-Y82 HydrophobicContact CE2-CE1 4.41Å; Y75-Y82 HydrophobicContact CE2-CE2 4.21Å; Y75-Y82 HydrophobicContact CG-CD1 4.23Å; Y75-Y82 AromaticContact CG-CE1 3.96Å; Y75-Y82 HydrophobicContact CG-CE1 3.96Å
76	D	93.4	Very high	93.6	Very high	47 Å²	47	71.6 Å²	71.6	25%	0.251	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	111.5	170.1	-176.1	-3.2	0	0	0	109.8	I78 N79 N80 E81	D76-I78 VanDerWaalsContact C-N 3.29Å; D76-I78 PolarHBondContact O-N 3.12Å; D76-I78 WeakPolarHBondContact OD1-CB 3.45Å; D76-I78 PolarHBondContact OD1-N 2.83Å; D76-N79 PolarHBondContact OD2-ND2 3.24Å; D76-N80 VanDerWaalsContact O-CA 3.29Å; D76-N80 WeakPolarHBondContact O-CA 3.38Å; D76-N80 PolarHBondContact O-N 3.16Å; D76-E81 PolarHBondContact N-O 3.27Å; D76-E81 PolarHBondContact O-N 2.81Å
77	S	92.4	Very high	93.6	Very high	98 Å²	98	74.9 Å²	74.9	69%	0.685	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	-20.6	-179.7	60.6	0	0	0	0	113.8
78	I	92.1	Very high	93.8	Very high	146 Å²	146	75.8 Å²	75.8	75%	0.749	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-48.7	-179	-62	169.6	0	0	0	109.6	D76	D76-I78 VanDerWaalsContact C-N 3.29Å; D76-I78 PolarHBondContact O-N 3.12Å; D76-I78 WeakPolarHBondContact OD1-CB 3.45Å; D76-I78 PolarHBondContact OD1-N 2.83Å
79	N	91.7	Very high	93.8	Very high	99 Å²	99	79.6 Å²	79.6	53%	0.529	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-7	-178.9	-64.2	-53.7	0	0	0	113.1	D76 E81	D76-N79 PolarHBondContact OD2-ND2 3.24Å; N79-E81 VanDerWaalsContact C-N 3.32Å; N79-E81 HydrophobicContact CB-CG 3.78Å; N79-E81 PolarHBondContact O-N 3.32Å
80	N	93.7	Very high	94	Very high	99 Å²	99	73.6 Å²	73.6	53%	0.529	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.5	43.6	179.4	-167.9	79.8	0	0	0	112.3	Y75 D76	Y75-N80 PolarHBondContact OH-OD1 3.46Å; D76-N80 VanDerWaalsContact O-CA 3.29Å; D76-N80 WeakPolarHBondContact O-CA 3.38Å; D76-N80 PolarHBondContact O-N 3.16Å
81	E	95.7	Very high	94.2	Very high	15 Å²	15	68.8 Å²	68.8	7%	0.07	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	163.6	-176.5	65.4	-179.7	-163.8	0	0	111.7	I43 N45 H50 D76 N79	I43-E81 HydrophobicContact CB-CB 3.95Å; I43-E81 HydrophobicContact CG2-CB 3.86Å; I43-E81 WeakPolarHBondContact O-CA 3.27Å; N45-E81 HydrophobicContact CB-CG 4.32Å; N45-E81 WeakPolarHBondContact CB-OE1 3.48Å; N45-E81 PolarHBondContact ND2-OE1 3.12Å; H50-E81 IonicContact CD2-OE2 2.79Å; H50-E81 PolarHBondContact CD2-OE2 2.89Å; H50-E81 VanDerWaalsContact CD2-OE2 3.25Å; H50-E81 IonicContact NE2-OE2 3.49Å; H50-E81 PolarHBondContact NE2-OE2 2.63Å; D76-E81 PolarHBondContact N-O 3.27Å; D76-E81 PolarHBondContact O-N 2.81Å; N79-E81 VanDerWaalsContact C-N 3.32Å; N79-E81 HydrophobicContact CB-CG 3.78Å; N79-E81 PolarHBondContact O-N 3.32Å
82	Y	95.7	Very high	94.3	Very high	20 Å²	20	74.9 Å²	74.9	8%	0.078	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	118.7	173.1	-63.7	-83.9	0	0	0	109.9	I42 I43 I44 N45 R71 E72 F74 Y75	I42-Y82 HydrophobicContact CB-CD2 4.42Å; I42-Y82 HydrophobicContact CB-CE2 4.16Å; I42-Y82 HydrophobicContact CG2-CE2 4.16Å; I43-Y82 PolarHBondContact O-N 3.2Å; I44-Y82 CarbonylContact C-O 3.56Å; I44-Y82 WeakPolarHBondContact CA-O 3.47Å; N45-Y82 PolarHBondContact N-O 3Å; R71-Y82 HydrophobicContact CB-CE1 4.35Å; R71-Y82 HydrophobicContact CG-CD1 3.5Å; R71-Y82 HydrophobicContact CG-CD2 4.49Å; R71-Y82 HydrophobicContact CG-CE1 3.55Å; R71-Y82 HydrophobicContact CG-CG 3.97Å; R71-Y82 VanDerWaalsContact NE-CZ 3.29Å; R71-Y82 PolarHBondContact NE-OH 3.44Å; R71-Y82 PolarHBondContact NH2-OH 2.97Å; R71-Y82 VanDerWaalsContact O-CD1 3.31Å; R71-Y82 WeakPolarHBondContact O-CD1 3.09Å; R71-Y82 WeakPolarHBondContact O-CE1 3.03Å; E72-Y82 PolarHBondContact OE1-OH 3.06Å; F74-Y82 CarbonylContact O-C 3.59Å; F74-Y82 WeakPolarHBondContact O-CA 3.39Å; Y75-Y82 AromaticContact CD2-CD1 3.65Å; Y75-Y82 HydrophobicContact CD2-CD1 3.65Å; Y75-Y82 HydrophobicContact CD2-CD2 4.15Å; Y75-Y82 AromaticContact CD2-CE1 3.43Å; Y75-Y82 HydrophobicContact CD2-CE1 3.43Å; Y75-Y82 VanDerWaalsContact CD2-CE1 3.43Å; Y75-Y82 AromaticContact CD2-CE2 3.93Å; Y75-Y82 HydrophobicContact CD2-CE2 3.93Å; Y75-Y82 HydrophobicContact CD2-CG 4.04Å; Y75-Y82 AromaticContact CD2-CZ 3.59Å; Y75-Y82 HydrophobicContact CE2-CE1 4.41Å; Y75-Y82 HydrophobicContact CE2-CE2 4.21Å; Y75-Y82 HydrophobicContact CG-CD1 4.23Å; Y75-Y82 AromaticContact CG-CE1 3.96Å; Y75-Y82 HydrophobicContact CG-CE1 3.96Å
83	F	96.3	Very high	94.4	Very high	88 Å²	88	73.3 Å²	73.3	39%	0.386	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	129.2	-175.5	179.1	-98.2	0	0	0	112.6	N45 F74 D85	N45-F83 HydrophobicContact CB-CD2 4.15Å; N45-F83 CarbonylContact O-C 3.6Å; N45-F83 WeakPolarHBondContact O-CA 3.1Å; F74-F83 PolarHBondContact O-N 3.35Å; F83-D85 HydrophobicContact CE1-CB 4.12Å; F83-D85 HydrophobicContact CZ-CB 4.39Å
84	F	96.4	Very high	94.5	Very high	1 Å²	1	64 Å²	64	0%	0.004	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	122.6	176.4	-63.4	-80.7	0	0	0	110.6	I44 N45 V46 S47 L65 L66 R71 F74 R86 Y120 F121	I44-F84 HydrophobicContact CG2-CD2 3.64Å; I44-F84 HydrophobicContact CG2-CE2 3.78Å; N45-F84 PolarHBondContact O-N 3.46Å; V46-F84 CarbonylContact C-O 3.58Å; V46-F84 WeakPolarHBondContact CA-O 3.48Å; V46-F84 HydrophobicContact CG2-CB 4.43Å; S47-F84 PolarHBondContact N-O 3.32Å; L65-F84 HydrophobicContact CD2-CE1 3.56Å; L65-F84 HydrophobicContact CD2-CZ 3.69Å; L66-F84 HydrophobicContact CD2-CE2 3.63Å; L66-F84 HydrophobicContact CD2-CZ 3.52Å; R71-F84 HydrophobicContact CG-CZ 4.45Å; F74-F84 HydrophobicContact CB-CD1 4.45Å; F74-F84 HydrophobicContact CB-CE1 3.85Å; F74-F84 HydrophobicContact CB-CZ 3.91Å; F74-F84 HydrophobicContact CD1-CD1 4.07Å; F74-F84 AromaticContact CD1-CE1 3.95Å; F74-F84 HydrophobicContact CD1-CE1 3.95Å; F74-F84 AromaticContact CD2-CE1 3.66Å; F74-F84 HydrophobicContact CD2-CE1 3.66Å; F74-F84 HydrophobicContact CD2-CZ 4.18Å; F74-F84 HydrophobicContact CE1-CE1 4.44Å; F74-F84 HydrophobicContact CE2-CE1 4.18Å; F74-F84 HydrophobicContact CG-CD1 4.1Å; F74-F84 AromaticContact CG-CE1 3.52Å; F74-F84 HydrophobicContact CG-CE1 3.52Å; F74-F84 HydrophobicContact CG-CZ 4.05Å; F84-R86 VanDerWaalsContact C-N 3.3Å; F84-R86 HydrophobicContact CB-CG 4.08Å; F84-R86 PolarHBondContact O-N 3.4Å; F84-Y120 AromaticContact CD1-CE1 3.8Å; F84-Y120 HydrophobicContact CD1-CE1 3.8Å; F84-Y120 HydrophobicContact CE1-CE1 4.31Å; F84-F121 HydrophobicContact CD1-CE1 4.2Å; F84-F121 HydrophobicContact CD1-CZ 4.43Å; F84-F121 HydrophobicContact CE1-CE1 4.23Å; F84-F121 HydrophobicContact CG-CE1 4.37Å; F84-F121 HydrophobicContact CG-CZ 4.4Å; F84-F121 HydrophobicContact CZ-CE1 4.45Å
85	D	95.3	Very high	94.5	Very high	125 Å²	125	62.3 Å²	62.3	67%	0.668	31%	0.307	S	S	*	.			trans	-83.7	73	172.7	-172.4	27.1	0	0	0	110.6	S47 F83	S47-D85 WeakPolarHBondContact OG-CA 3.42Å; S47-D85 PolarHBondContact OG-OD1 3.26Å; S47-D85 VanDerWaalsContact OG-OD1 3.07Å; F83-D85 HydrophobicContact CE1-CB 4.12Å; F83-D85 HydrophobicContact CZ-CB 4.39Å
86	R	95	Very high	94.4	Very high	61 Å²	61	60.4 Å²	60.4	23%	0.23	31%	0.305	C	S	.	.	S	Bend	trans	-139.5	172.6	-172.4	-56.5	-61	-64.7	-162.2	2.2	111.1	V46 S47 F84 P88 N116 E117 Y120 F121	V46-R86 HydrophobicContact CG1-CB 4.05Å; V46-R86 VanDerWaalsContact CG1-O 3.24Å; V46-R86 WeakPolarHBondContact CG1-O 3.34Å; S47-R86 WeakPolarHBondContact CB-O 3.41Å; S47-R86 PolarHBondContact OG-N 3.17Å; S47-R86 VanDerWaalsContact OG-N 3.07Å; S47-R86 PolarHBondContact OG-O 3.3Å; F84-R86 VanDerWaalsContact C-N 3.3Å; F84-R86 HydrophobicContact CB-CG 4.08Å; F84-R86 PolarHBondContact O-N 3.4Å; R86-P88 VanDerWaalsContact O-CD 3.27Å; R86-P88 WeakPolarHBondContact O-CD 3.34Å; R86-N116 PolarHBondContact NH2-O 2.9Å; R86-E117 IonicContact CZ-OE1 3.77Å; R86-E117 VanDerWaalsContact CZ-OE1 3.24Å; R86-E117 IonicContact CZ-OE2 2.7Å; R86-E117 IonicContact NE-OE1 2.89Å; R86-E117 PolarHBondContact NE-OE1 3.18Å; R86-E117 IonicContact NE-OE2 3.44Å; R86-E117 PolarHBondContact NE-OE2 2.95Å; R86-E117 VanDerWaalsContact NH2-CD 3.26Å; R86-E117 IonicContact NH2-OE1 2.65Å; R86-E117 PolarHBondContact NH2-OE1 3.38Å; R86-E117 IonicContact NH2-OE2 2.68Å; R86-E117 PolarHBondContact NH2-OE2 3.43Å; R86-Y120 HydrophobicContact CG-CD1 4.08Å; R86-Y120 HydrophobicContact CG-CE1 3.74Å; R86-Y120 VanDerWaalsContact NH1-CD2 3.27Å; R86-F121 HydrophobicContact CG-CZ 4.46Å
87	D	94.9	Very high	94.5	Very high	70 Å²	70	58.7 Å²	58.7	37%	0.374	30%	0.295	S	S	.	.			trans	-73.1	115.7	-179.6	-172.7	-38.4	0	0	0	111.9	E89 L90 F91	D87-E89 VanDerWaalsContact C-N 3.32Å; D87-E89 PolarHBondContact O-N 3.14Å; D87-E89 WeakPolarHBondContact OD1-CA 3.2Å; D87-E89 VanDerWaalsContact OD1-CB 3.29Å; D87-E89 WeakPolarHBondContact OD1-CB 3.5Å; D87-E89 PolarHBondContact OD1-N 3.11Å; D87-L90 HydrophobicContact CB-CB 4.12Å; D87-L90 HydrophobicContact CB-CD1 4.09Å; D87-L90 HydrophobicContact CB-CG 4.2Å; D87-L90 PolarHBondContact O-N 3.36Å; D87-L90 PolarHBondContact OD1-N 3.33Å; D87-F91 PolarHBondContact O-N 3.41Å
88	P	95.5	Very high	94.6	Very high	35 Å²	35	54 Å²	54	23%	0.227	26%	0.262	C	S	.	.	H	α-helix	trans	-72.1	-21.2	-178.5	29.4	-35	0	0	0	113.9	V46 V49 F51 R86	V46-P88 HydrophobicContact CB-CB 4.31Å; V46-P88 HydrophobicContact CG1-CB 4.11Å; V49-P88 HydrophobicContact CB-CB 3.69Å; V49-P88 HydrophobicContact CB-CG 4.47Å; V49-P88 HydrophobicContact CG1-CB 4.34Å; V49-P88 HydrophobicContact CG2-CB 3.58Å; V49-P88 HydrophobicContact CG2-CG 3.83Å; F51-P88 HydrophobicContact CE2-CB 4.24Å; F51-P88 HydrophobicContact CZ-CB 4.41Å; F51-P88 WeakPolarHBondContact CZ-O 3.48Å; R86-P88 VanDerWaalsContact O-CD 3.27Å; R86-P88 WeakPolarHBondContact O-CD 3.34Å
89	E	93.8	Very high	94.6	Very high	102 Å²	102	50.6 Å²	50.6	48%	0.477	24%	0.243	S	C	.	.	H	α-helix	trans	-71.8	-45.9	174.2	-172.9	178.8	170.8	0	0	110.1	D87 F91 R92	D87-E89 VanDerWaalsContact C-N 3.32Å; D87-E89 PolarHBondContact O-N 3.14Å; D87-E89 WeakPolarHBondContact OD1-CA 3.2Å; D87-E89 VanDerWaalsContact OD1-CB 3.29Å; D87-E89 WeakPolarHBondContact OD1-CB 3.5Å; D87-E89 PolarHBondContact OD1-N 3.11Å; E89-F91 VanDerWaalsContact C-N 3.33Å; E89-F91 PolarHBondContact O-N 2.97Å; E89-R92 WeakPolarHBondContact O-CB 3.33Å; E89-R92 PolarHBondContact O-N 3.48Å
90	L	94.4	Very high	94.6	Very high	2 Å²	2	51.9 Å²	51.9	1%	0.01	25%	0.245	C	C	.	.	H	α-helix	trans	-66.5	-36.2	177	-72.4	-179.6	0	0	0	112.6	D87 R92 Y93 I109 A113 F114 E117	D87-L90 HydrophobicContact CB-CB 4.12Å; D87-L90 HydrophobicContact CB-CD1 4.09Å; D87-L90 HydrophobicContact CB-CG 4.2Å; D87-L90 PolarHBondContact O-N 3.36Å; D87-L90 PolarHBondContact OD1-N 3.33Å; L90-R92 PolarHBondContact O-N 2.7Å; L90-R92 VanDerWaalsContact O-N 3.16Å; L90-Y93 WeakPolarHBondContact O-CD2 3.32Å; L90-Y93 PolarHBondContact O-N 3.31Å; L90-Y93 VanDerWaalsContact O-N 3.1Å; L90-I109 HydrophobicContact CD2-CB 4.4Å; L90-I109 HydrophobicContact CD2-CD1 3.83Å; L90-I109 HydrophobicContact CD2-CG2 3.46Å; L90-I109 VanDerWaalsContact CD2-CG2 3.46Å; L90-I109 HydrophobicContact CG-CG2 4.41Å; L90-A113 HydrophobicContact CD1-CB 3.88Å; L90-F114 HydrophobicContact CD2-CB 4.35Å; L90-F114 HydrophobicContact CD2-CD2 4.03Å; L90-E117 HydrophobicContact CB-CG 3.77Å; L90-E117 HydrophobicContact CD1-CG 3.52Å; L90-E117 HydrophobicContact CG-CG 4.27Å
91	F	96	Very high	94.4	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-59.3	-26.6	177.9	-173	-100.5	0	0	0	113.2	I44 V46 F51 L66 D87 E89 Y93 I94 L95 F121	I44-F91 HydrophobicContact CB-CZ 4.49Å; I44-F91 HydrophobicContact CD1-CZ 4.09Å; I44-F91 HydrophobicContact CG2-CE1 4.2Å; I44-F91 HydrophobicContact CG2-CE2 4.46Å; I44-F91 HydrophobicContact CG2-CZ 3.79Å; V46-F91 HydrophobicContact CG1-CB 4.18Å; V46-F91 HydrophobicContact CG1-CG 4.49Å; V46-F91 HydrophobicContact CG2-CB 4.24Å; V46-F91 HydrophobicContact CG2-CD1 3.73Å; V46-F91 HydrophobicContact CG2-CD2 3.97Å; V46-F91 HydrophobicContact CG2-CE1 4.02Å; V46-F91 HydrophobicContact CG2-CE2 4.25Å; V46-F91 HydrophobicContact CG2-CG 3.7Å; V46-F91 HydrophobicContact CG2-CZ 4.27Å; F51-F91 HydrophobicContact CB-CD1 4.44Å; F51-F91 HydrophobicContact CB-CE1 3.89Å; F51-F91 HydrophobicContact CD1-CD1 4.24Å; F51-F91 HydrophobicContact CD1-CE1 4.42Å; F51-F91 AromaticContact CD2-CD1 3.45Å; F51-F91 HydrophobicContact CD2-CD1 3.45Å; F51-F91 VanDerWaalsContact CD2-CD1 3.45Å; F51-F91 AromaticContact CD2-CE1 3.68Å; F51-F91 HydrophobicContact CD2-CE1 3.68Å; F51-F91 HydrophobicContact CE1-CD1 4.34Å; F51-F91 HydrophobicContact CE2-CB 4.49Å; F51-F91 AromaticContact CE2-CD1 3.59Å; F51-F91 HydrophobicContact CE2-CD1 3.59Å; F51-F91 HydrophobicContact CE2-CE1 4.3Å; F51-F91 HydrophobicContact CE2-CG 4.42Å; F51-F91 AromaticContact CG-CD1 3.78Å; F51-F91 HydrophobicContact CG-CD1 3.78Å; F51-F91 AromaticContact CG-CE1 3.74Å; F51-F91 HydrophobicContact CG-CE1 3.74Å; F51-F91 HydrophobicContact CZ-CD1 4.03Å; L66-F91 HydrophobicContact CD1-CE2 4.09Å; L66-F91 HydrophobicContact CD1-CZ 4.03Å; D87-F91 PolarHBondContact O-N 3.41Å; E89-F91 VanDerWaalsContact C-N 3.33Å; E89-F91 PolarHBondContact O-N 2.97Å; F91-Y93 PolarHBondContact O-N 3.31Å; F91-I94 HydrophobicContact CD2-CB 4.22Å; F91-I94 HydrophobicContact CD2-CD1 4.28Å; F91-I94 HydrophobicContact CD2-CG2 4.18Å; F91-I94 HydrophobicContact CE2-CB 4.49Å; F91-I94 HydrophobicContact CE2-CG2 4Å; F91-I94 WeakPolarHBondContact O-CB 3.24Å; F91-I94 PolarHBondContact O-N 3.05Å; F91-I94 VanDerWaalsContact O-N 3.08Å; F91-L95 HydrophobicContact CD1-CB 4.47Å; F91-L95 HydrophobicContact CE1-CB 4.27Å; F91-L95 HydrophobicContact CE1-CD1 4.35Å; F91-L95 WeakPolarHBondContact O-CB 3.31Å; F91-L95 PolarHBondContact O-N 2.83Å; F91-F121 HydrophobicContact CD2-CE1 4.08Å; F91-F121 AromaticContact CD2-CE2 3.87Å; F91-F121 HydrophobicContact CD2-CE2 3.87Å; F91-F121 AromaticContact CD2-CZ 3.51Å; F91-F121 HydrophobicContact CD2-CZ 3.51Å; F91-F121 HydrophobicContact CE2-CD1 4.39Å; F91-F121 AromaticContact CE2-CE1 3.67Å; F91-F121 HydrophobicContact CE2-CE1 3.67Å; F91-F121 HydrophobicContact CE2-CE2 4.29Å; F91-F121 AromaticContact CE2-CZ 3.6Å; F91-F121 HydrophobicContact CE2-CZ 3.6Å
92	R	94.7	Very high	94	Very high	136 Å²	136	53.7 Å²	53.7	51%	0.513	26%	0.256	S	S	.	.	H	α-helix	trans	-56.8	-34.5	175.5	-71	-177.2	140.7	87.1	1.3	113.2	F51 E89 L90 T96	F51-R92 HydrophobicContact CE1-CG 3.95Å; F51-R92 HydrophobicContact CZ-CG 4.18Å; E89-R92 WeakPolarHBondContact O-CB 3.33Å; E89-R92 PolarHBondContact O-N 3.48Å; L90-R92 PolarHBondContact O-N 2.7Å; L90-R92 VanDerWaalsContact O-N 3.16Å; R92-T96 WeakPolarHBondContact O-CB 3.3Å; R92-T96 PolarHBondContact O-N 2.73Å; R92-T96 PolarHBondContact O-OG1 3.16Å
93	Y	93.6	Very high	93.8	Very high	60 Å²	60	52.8 Å²	52.8	24%	0.235	25%	0.252	C	S	.	.	H	α-helix	trans	-75.9	-35.1	178.9	-60.2	-80.1	0	0	0	111.5	L90 F91 T96 Y97 P106 I109 F114	L90-Y93 WeakPolarHBondContact O-CD2 3.32Å; L90-Y93 PolarHBondContact O-N 3.31Å; L90-Y93 VanDerWaalsContact O-N 3.1Å; F91-Y93 PolarHBondContact O-N 3.31Å; Y93-T96 PolarHBondContact O-N 3.38Å; Y93-Y97 PolarHBondContact O-N 2.96Å; Y93-Y97 VanDerWaalsContact O-N 3.11Å; Y93-P106 HydrophobicContact CD1-CG 4.23Å; Y93-P106 HydrophobicContact CD2-CG 4.24Å; Y93-P106 HydrophobicContact CE1-CB 3.82Å; Y93-P106 HydrophobicContact CE1-CG 3.66Å; Y93-P106 HydrophobicContact CE2-CB 4.44Å; Y93-P106 HydrophobicContact CE2-CG 3.7Å; Y93-P106 HydrophobicContact CG-CG 4.49Å; Y93-P106 WeakPolarHBondContact OH-CB 3.4Å; Y93-I109 HydrophobicContact CD2-CD1 4.46Å; Y93-I109 HydrophobicContact CE2-CD1 3.59Å; Y93-F114 HydrophobicContact CG-CE2 4.37Å
94	I	94.9	Very high	93.6	Very high	0 Å²	0	52 Å²	52	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-64.8	-45.8	172.2	-68.7	156.5	0	0	0	110.2	F91 T96 Y97 Y98 E117 F121 I123	F91-I94 HydrophobicContact CD2-CB 4.22Å; F91-I94 HydrophobicContact CD2-CD1 4.28Å; F91-I94 HydrophobicContact CD2-CG2 4.18Å; F91-I94 HydrophobicContact CE2-CB 4.49Å; F91-I94 HydrophobicContact CE2-CG2 4Å; F91-I94 WeakPolarHBondContact O-CB 3.24Å; F91-I94 PolarHBondContact O-N 3.05Å; F91-I94 VanDerWaalsContact O-N 3.08Å; I94-T96 VanDerWaalsContact C-N 3.32Å; I94-T96 PolarHBondContact O-N 2.88Å; I94-Y97 WeakPolarHBondContact O-CB 3.47Å; I94-Y97 PolarHBondContact O-N 3.35Å; I94-Y97 VanDerWaalsContact O-N 3.14Å; I94-Y98 HydrophobicContact CG2-CD2 4.25Å; I94-Y98 HydrophobicContact CG2-CE2 3.76Å; I94-Y98 WeakPolarHBondContact O-CD2 3.41Å; I94-Y98 PolarHBondContact O-N 3.37Å; I94-E117 HydrophobicContact CD1-CB 3.84Å; I94-F121 HydrophobicContact CD1-CD2 3.23Å; I94-F121 HydrophobicContact CD1-CE2 3.58Å; I94-F121 HydrophobicContact CD1-CG 4.03Å; I94-F121 HydrophobicContact CG1-CD2 4.29Å; I94-F121 HydrophobicContact CG2-CB 4.36Å; I94-F121 HydrophobicContact CG2-CD1 4.47Å; I94-F121 HydrophobicContact CG2-CD2 4.38Å; I94-F121 HydrophobicContact CG2-CG 4.15Å; I94-I123 HydrophobicContact CB-CD1 4.41Å; I94-I123 HydrophobicContact CG1-CD1 4.24Å; I94-I123 HydrophobicContact CG2-CD1 3.77Å
95	L	94.7	Very high	93.2	Very high	19 Å²	19	52.6 Å²	52.6	10%	0.099	25%	0.253	C	S	.	.	H	α-helix	trans	-55.7	-47.6	174	-177.8	75.5	0	0	0	111.5	F51 L53 F91 Y97 Y98 Q99	F51-L95 HydrophobicContact CB-CD1 4.44Å; F51-L95 HydrophobicContact CD1-CD2 3.77Å; F51-L95 HydrophobicContact CE1-CD2 4.39Å; L53-L95 HydrophobicContact CD1-CD1 3.74Å; L53-L95 HydrophobicContact CD2-CD1 3.4Å; L53-L95 HydrophobicContact CD2-CG 4.4Å; L53-L95 HydrophobicContact CG-CD1 3.38Å; F91-L95 HydrophobicContact CD1-CB 4.47Å; F91-L95 HydrophobicContact CE1-CB 4.27Å; F91-L95 HydrophobicContact CE1-CD1 4.35Å; F91-L95 WeakPolarHBondContact O-CB 3.31Å; F91-L95 PolarHBondContact O-N 2.83Å; L95-Y97 PolarHBondContact O-N 2.97Å; L95-Y98 PolarHBondContact O-N 2.98Å; L95-Y98 VanDerWaalsContact O-N 3.12Å; L95-Q99 WeakPolarHBondContact O-CG 3.28Å; L95-Q99 PolarHBondContact O-N 3.36Å
96	T	93	Very high	92.8	Very high	46 Å²	46	47.4 Å²	47.4	28%	0.282	23%	0.226	S	C	.	.	H	α-helix	trans	-59.6	-35.9	179.3	-57.3	0	0	0	0	111.6	R92 Y93 I94 Q99 H100	R92-T96 WeakPolarHBondContact O-CB 3.3Å; R92-T96 PolarHBondContact O-N 2.73Å; R92-T96 PolarHBondContact O-OG1 3.16Å; Y93-T96 PolarHBondContact O-N 3.38Å; I94-T96 VanDerWaalsContact C-N 3.32Å; I94-T96 PolarHBondContact O-N 2.88Å; T96-Q99 PolarHBondContact O-N 3.21Å; T96-H100 WeakPolarHBondContact CG2-ND1 3.31Å; T96-H100 PolarHBondContact O-N 2.8Å; T96-H100 PolarHBondContact O-ND1 2.91Å
97	Y	94.7	Very high	92.2	Very high	10 Å²	10	53.3 Å²	53.3	4%	0.039	25%	0.253	C	S	.	.	H	α-helix	trans	-63.1	-43.7	175	170.6	-102.2	0	0	0	112.4	Y61 T64 Y93 I94 L95 Q99 G101 L103 I123 N127	Y61-Y97 HydrophobicContact CD1-CE1 4.16Å; Y61-Y97 AromaticContact CD1-CZ 3.91Å; Y61-Y97 VanDerWaalsContact CD1-OH 3.31Å; Y61-Y97 WeakPolarHBondContact CD1-OH 3.45Å; Y61-Y97 HydrophobicContact CD2-CE1 4.29Å; Y61-Y97 HydrophobicContact CE1-CE1 4.46Å; Y61-Y97 AromaticContact CE1-CZ 3.96Å; Y61-Y97 HydrophobicContact CG-CE1 4.07Å; T64-Y97 HydrophobicContact CG2-CE1 4.25Å; Y93-Y97 PolarHBondContact O-N 2.96Å; Y93-Y97 VanDerWaalsContact O-N 3.11Å; I94-Y97 WeakPolarHBondContact O-CB 3.47Å; I94-Y97 PolarHBondContact O-N 3.35Å; I94-Y97 VanDerWaalsContact O-N 3.14Å; L95-Y97 PolarHBondContact O-N 2.97Å; Y97-Q99 VanDerWaalsContact C-N 3.34Å; Y97-Q99 PolarHBondContact O-N 3.1Å; Y97-G101 WeakPolarHBondContact O-CA 3.28Å; Y97-G101 PolarHBondContact O-N 2.92Å; Y97-L103 HydrophobicContact CD2-CB 3.8Å; Y97-L103 HydrophobicContact CG-CB 4.39Å; Y97-L103 HydrophobicContact CG-CD1 4.46Å; Y97-I123 HydrophobicContact CD1-CD1 3.72Å; Y97-I123 HydrophobicContact CD1-CG1 4.21Å; Y97-I123 HydrophobicContact CD1-CG2 4.31Å; Y97-I123 HydrophobicContact CE1-CD1 4.14Å; Y97-I123 HydrophobicContact CE1-CG1 4.12Å; Y97-I123 HydrophobicContact CE1-CG2 4.13Å; Y97-N127 HydrophobicContact CE2-CB 3.84Å; Y97-N127 PolarHBondContact OH-ND2 3.42Å
98	Y	94.4	Very high	91.9	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-66.3	-36.2	174.3	-71.1	-83.6	0	0	0	112.9	L53 V58 Y61 T64 L66 I94 L95 I123	L53-Y98 HydrophobicContact CD1-CD2 4.31Å; L53-Y98 HydrophobicContact CD1-CG 4.24Å; V58-Y98 HydrophobicContact CG1-CD1 4.49Å; V58-Y98 HydrophobicContact CG1-CE1 4.22Å; V58-Y98 HydrophobicContact CG2-CD1 4.33Å; Y61-Y98 AromaticContact CD2-CD1 3.77Å; Y61-Y98 HydrophobicContact CD2-CD1 3.77Å; Y61-Y98 HydrophobicContact CD2-CE1 4.25Å; T64-Y98 WeakPolarHBondContact CB-OH 3.32Å; T64-Y98 WeakPolarHBondContact OG1-CE1 3.18Å; T64-Y98 PolarHBondContact OG1-OH 2.97Å; L66-Y98 HydrophobicContact CB-CE1 4.25Å; L66-Y98 HydrophobicContact CB-CE2 4.39Å; L66-Y98 WeakPolarHBondContact CB-OH 3.43Å; L66-Y98 HydrophobicContact CD1-CD2 4.29Å; L66-Y98 HydrophobicContact CD1-CE2 3.67Å; L66-Y98 HydrophobicContact CG-CE2 4.41Å; I94-Y98 HydrophobicContact CG2-CD2 4.25Å; I94-Y98 HydrophobicContact CG2-CE2 3.76Å; I94-Y98 WeakPolarHBondContact O-CD2 3.41Å; I94-Y98 PolarHBondContact O-N 3.37Å; L95-Y98 PolarHBondContact O-N 2.98Å; L95-Y98 VanDerWaalsContact O-N 3.12Å; Y98-I123 HydrophobicContact CE2-CD1 4.27Å
99	Q	93	Very high	91.5	Very high	75 Å²	75	56 Å²	56	35%	0.35	27%	0.265	S	S	.	.	H	α-helix	trans	-72.4	-47.2	-177.6	-71	174.9	-15.6	0	0	112.7	L53 L57 L95 T96 Y97	L53-Q99 HydrophobicContact CD2-CG 3.91Å; L57-Q99 HydrophobicContact CD1-CG 4.49Å; L95-Q99 WeakPolarHBondContact O-CG 3.28Å; L95-Q99 PolarHBondContact O-N 3.36Å; T96-Q99 PolarHBondContact O-N 3.21Å; Y97-Q99 VanDerWaalsContact C-N 3.34Å; Y97-Q99 PolarHBondContact O-N 3.1Å
100	H	90.9	Very high	91.3	Very high	125 Å²	125	54.8 Å²	54.8	58%	0.579	27%	0.267	S	S	*	.	H	α-helix	trans	-110.3	-11.4	-170.4	-55.1	92.3	0	0	0	113.6	T96 K102	T96-H100 WeakPolarHBondContact CG2-ND1 3.31Å; T96-H100 PolarHBondContact O-N 2.8Å; T96-H100 PolarHBondContact O-ND1 2.91Å; H100-K102 PolarHBondContact O-N 3.17Å
101	G	88.8	Confident	91.1	Very high	27 Å²	27	55.3 Å²	55.3	28%	0.278	27%	0.27	S	S	.	.	S	Bend	trans	71.1	8.8	-173.9	0	0	0	0	0	114.9	Y61 Y97	Y61-G101 WeakPolarHBondContact OH-CA 3.45Å; Y97-G101 WeakPolarHBondContact O-CA 3.28Å; Y97-G101 PolarHBondContact O-N 2.92Å
102	K	88	Confident	90.8	Very high	126 Å²	126	57.5 Å²	57.5	55%	0.548	29%	0.285	S	S	.	.			trans	-119.2	120.2	-178.9	-68.2	-173	-178.9	-177.4	0	110	H100	H100-K102 PolarHBondContact O-N 3.17Å
103	L	92	Very high	90.6	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.274	C	S	.	.	B	Isolated β-bridge	trans	-90.7	127.6	174.1	-173.9	66.9	0	0	0	109.3	Y97 F114 L118 I123 N127 L128 S129	Y97-L103 HydrophobicContact CD2-CB 3.8Å; Y97-L103 HydrophobicContact CG-CB 4.39Å; Y97-L103 HydrophobicContact CG-CD1 4.46Å; L103-F114 HydrophobicContact CD1-CZ 4.01Å; L103-F114 HydrophobicContact CG-CZ 4.32Å; L103-L118 HydrophobicContact CD1-CD2 3.99Å; L103-L118 HydrophobicContact CD2-CD1 4Å; L103-L118 HydrophobicContact CD2-CD2 3.64Å; L103-L118 HydrophobicContact CD2-CG 4.5Å; L103-L118 HydrophobicContact CG-CD2 4.43Å; L103-I123 HydrophobicContact CD2-CG2 3.98Å; L103-N127 WeakPolarHBondContact CB-O 3.45Å; L103-L128 HydrophobicContact CB-CD2 4.42Å; L103-L128 HydrophobicContact CD2-CD2 4.02Å; L103-L128 HydrophobicContact CD2-CG 3.92Å; L103-L128 HydrophobicContact CG-CD2 3.89Å; L103-L128 HydrophobicContact CG-CG 4.3Å; L103-S129 PolarHBondContact O-N 3.35Å; L103-S129 PolarHBondContact O-OG 2.86Å
104	H	91.2	Very high	90.6	Very high	71 Å²	71	49.8 Å²	49.8	33%	0.329	26%	0.263	S	S	.	.			trans	-120.2	139.3	177.3	-70.9	-74.2	0	0	0	110.3	C131	H104-C131 VanDerWaalsContact CE1-SG 3.52Å; H104-C131 PolarHBondContact ND1-SG 3.34Å; H104-C131 VanDerWaalsContact ND1-SG 3.36Å
105	F	88.7	Confident	90.5	Very high	15 Å²	15	52 Å²	52	7%	0.066	27%	0.273	C	S	.	.			trans	-104.2	119.9	176.7	170.5	-111.6	0	0	0	110.9	I111 F114 L128 C132 F136	F105-I111 HydrophobicContact CE1-CD1 4.47Å; F105-I111 HydrophobicContact CE1-CG1 3.9Å; F105-I111 HydrophobicContact CE2-CG1 3.82Å; F105-I111 HydrophobicContact CZ-CB 4.43Å; F105-I111 HydrophobicContact CZ-CD1 4.14Å; F105-I111 HydrophobicContact CZ-CG1 3.23Å; F105-F114 HydrophobicContact CB-CE1 4.07Å; F105-F114 HydrophobicContact CD2-CB 4.39Å; F105-F114 AromaticContact CD2-CD1 3.47Å; F105-F114 HydrophobicContact CD2-CD1 3.47Å; F105-F114 VanDerWaalsContact CD2-CD1 3.47Å; F105-F114 AromaticContact CD2-CE1 3.82Å; F105-F114 HydrophobicContact CD2-CE1 3.82Å; F105-F114 AromaticContact CD2-CG 3.97Å; F105-F114 HydrophobicContact CD2-CG 3.97Å; F105-F114 HydrophobicContact CE2-CB 4.28Å; F105-F114 HydrophobicContact CE2-CD1 4.16Å; F105-F114 HydrophobicContact CE2-CG 4.36Å; F105-F114 HydrophobicContact CG-CD1 4.38Å; F105-F114 HydrophobicContact CG-CE1 4.38Å; F105-L128 HydrophobicContact CB-CD2 3.89Å; F105-C132 HydrophobicContact CB-CB 4.07Å; F105-C132 PolarHBondContact N-SG 3.02Å; F105-C132 PolarHBondContact O-SG 3.26Å; F105-F136 HydrophobicContact CB-CB 4.49Å; F105-F136 HydrophobicContact CB-CD2 4.35Å; F105-F136 HydrophobicContact CD1-CB 4.17Å; F105-F136 HydrophobicContact CD1-CD2 4.15Å; F105-F136 AromaticContact CD2-CD2 3.95Å; F105-F136 HydrophobicContact CD2-CD2 3.95Å; F105-F136 HydrophobicContact CD2-CE2 4.48Å; F105-F136 HydrophobicContact CE2-CD2 4.38Å; F105-F136 HydrophobicContact CG-CB 4.38Å; F105-F136 AromaticContact CG-CD2 3.85Å; F105-F136 HydrophobicContact CG-CD2 3.85Å
106	P	86.8	Confident	90.4	Very high	16 Å²	16	54.9 Å²	54.9	10%	0.104	29%	0.289	C	S	.	.			trans	-80.1	136	177.2	34.1	-39.3	0	0	0	112.6	Y93 N108 I109	Y93-P106 HydrophobicContact CD1-CG 4.23Å; Y93-P106 HydrophobicContact CD2-CG 4.24Å; Y93-P106 HydrophobicContact CE1-CB 3.82Å; Y93-P106 HydrophobicContact CE1-CG 3.66Å; Y93-P106 HydrophobicContact CE2-CB 4.44Å; Y93-P106 HydrophobicContact CE2-CG 3.7Å; Y93-P106 HydrophobicContact CG-CG 4.49Å; Y93-P106 WeakPolarHBondContact OH-CB 3.4Å; P106-N108 VanDerWaalsContact C-N 3.31Å; P106-N108 PolarHBondContact O-N 3.41Å; P106-I109 HydrophobicContact CB-CD1 4.14Å; P106-I109 HydrophobicContact CB-CG1 4.2Å; P106-I109 HydrophobicContact CG-CB 4.1Å; P106-I109 HydrophobicContact CG-CD1 3.34Å; P106-I109 HydrophobicContact CG-CG1 3.65Å
107	K	82.9	Confident	90.5	Very high	185 Å²	185	53.4 Å²	53.4	80%	0.804	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-18.3	-174	-65.7	-178.3	179.4	177.9	0	115
108	N	87.5	Confident	90.4	Very high	130 Å²	130	53.1 Å²	53.1	70%	0.695	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-5	-176.9	61	-50.1	0	0	0	113.6	P106	P106-N108 VanDerWaalsContact C-N 3.31Å; P106-N108 PolarHBondContact O-N 3.41Å
109	I	88.6	Confident	90.4	Very high	30 Å²	30	59.4 Å²	59.4	15%	0.154	31%	0.305	C	S	.	.	S	Bend	trans	-104.9	152.2	-174.7	-49	-174.4	0	0	0	111.6	L90 Y93 P106 I111	L90-I109 HydrophobicContact CD2-CB 4.4Å; L90-I109 HydrophobicContact CD2-CD1 3.83Å; L90-I109 HydrophobicContact CD2-CG2 3.46Å; L90-I109 VanDerWaalsContact CD2-CG2 3.46Å; L90-I109 HydrophobicContact CG-CG2 4.41Å; Y93-I109 HydrophobicContact CD2-CD1 4.46Å; Y93-I109 HydrophobicContact CE2-CD1 3.59Å; P106-I109 HydrophobicContact CB-CD1 4.14Å; P106-I109 HydrophobicContact CB-CG1 4.2Å; P106-I109 HydrophobicContact CG-CB 4.1Å; P106-I109 HydrophobicContact CG-CD1 3.34Å; P106-I109 HydrophobicContact CG-CG1 3.65Å; I109-I111 PolarHBondContact O-N 3.13Å
110	C	89.1	Confident	90.5	Very high	77 Å²	77	58.8 Å²	58.8	52%	0.52	30%	0.3	S	S	.	.			trans	-64.5	121.4	173.3	-176.9	0	0	0	0	110.8	S112 A113 F114	C110-S112 VanDerWaalsContact C-N 3.34Å; C110-S112 PolarHBondContact O-N 2.87Å; C110-A113 HydrophobicContact CB-CB 3.99Å; C110-A113 WeakPolarHBondContact O-CB 3.41Å; C110-A113 PolarHBondContact O-N 3.37Å; C110-F114 PolarHBondContact O-N 3.27Å
111	I	90	Very high	90.7	Very high	13 Å²	13	52.8 Å²	52.8	7%	0.067	27%	0.272	C	S	.	.	H	α-helix	trans	-63.2	-40.2	-178.6	-67.9	147.5	0	0	0	112.1	F105 I109 A113 F114 E115 F136 H139 I143	F105-I111 HydrophobicContact CE1-CD1 4.47Å; F105-I111 HydrophobicContact CE1-CG1 3.9Å; F105-I111 HydrophobicContact CE2-CG1 3.82Å; F105-I111 HydrophobicContact CZ-CB 4.43Å; F105-I111 HydrophobicContact CZ-CD1 4.14Å; F105-I111 HydrophobicContact CZ-CG1 3.23Å; I109-I111 PolarHBondContact O-N 3.13Å; I111-A113 VanDerWaalsContact C-N 3.28Å; I111-A113 PolarHBondContact O-N 3.23Å; I111-F114 PolarHBondContact O-N 3.11Å; I111-E115 WeakPolarHBondContact O-CB 3.26Å; I111-E115 PolarHBondContact O-N 2.88Å; I111-F136 HydrophobicContact CG2-CD2 4.08Å; I111-F136 HydrophobicContact CG2-CE2 3.7Å; I111-F136 HydrophobicContact CG2-CZ 4.36Å; I111-H139 HydrophobicContact CD1-CB 3.06Å; I111-H139 HydrophobicContact CG1-CB 4.31Å; I111-I143 HydrophobicContact CB-CD1 3.77Å; I111-I143 HydrophobicContact CD1-CD1 4.15Å; I111-I143 HydrophobicContact CG2-CD1 4.07Å
112	S	88.5	Confident	90.9	Very high	47 Å²	47	53.9 Å²	53.9	33%	0.329	28%	0.275	S	S	.	.	H	α-helix	trans	-64.7	-35.4	178	177.5	0	0	0	0	111.5	C110 N116	C110-S112 VanDerWaalsContact C-N 3.34Å; C110-S112 PolarHBondContact O-N 2.87Å; S112-N116 WeakPolarHBondContact O-CB 3.34Å; S112-N116 PolarHBondContact O-N 2.98Å; S112-N116 PolarHBondContact O-ND2 3.41Å; S112-N116 VanDerWaalsContact O-ND2 3.16Å; S112-N116 PolarHBondContact O-OD1 3.14Å
113	A	91.9	Very high	91.2	Very high	33 Å²	33	48.2 Å²	48.2	27%	0.273	25%	0.251	S	S	.	.	H	α-helix	trans	-67.1	-46.3	174.4	0	0	0	0	0	110.8	L90 C110 I111 E115 N116 E117	L90-A113 HydrophobicContact CD1-CB 3.88Å; C110-A113 HydrophobicContact CB-CB 3.99Å; C110-A113 WeakPolarHBondContact O-CB 3.41Å; C110-A113 PolarHBondContact O-N 3.37Å; I111-A113 VanDerWaalsContact C-N 3.28Å; I111-A113 PolarHBondContact O-N 3.23Å; A113-E115 PolarHBondContact O-N 3.16Å; A113-N116 WeakPolarHBondContact O-CB 3.43Å; A113-N116 PolarHBondContact O-N 2.92Å; A113-E117 PolarHBondContact O-N 2.99Å
114	F	93.7	Very high	91	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-61.2	-43.4	176.4	-173.9	-116	0	0	0	112.7	L90 Y93 L103 F105 C110 I111 N116 E117 L118 L128 F136	L90-F114 HydrophobicContact CD2-CB 4.35Å; L90-F114 HydrophobicContact CD2-CD2 4.03Å; Y93-F114 HydrophobicContact CG-CE2 4.37Å; L103-F114 HydrophobicContact CD1-CZ 4.01Å; L103-F114 HydrophobicContact CG-CZ 4.32Å; F105-F114 HydrophobicContact CB-CE1 4.07Å; F105-F114 HydrophobicContact CD2-CB 4.39Å; F105-F114 AromaticContact CD2-CD1 3.47Å; F105-F114 HydrophobicContact CD2-CD1 3.47Å; F105-F114 VanDerWaalsContact CD2-CD1 3.47Å; F105-F114 AromaticContact CD2-CE1 3.82Å; F105-F114 HydrophobicContact CD2-CE1 3.82Å; F105-F114 AromaticContact CD2-CG 3.97Å; F105-F114 HydrophobicContact CD2-CG 3.97Å; F105-F114 HydrophobicContact CE2-CB 4.28Å; F105-F114 HydrophobicContact CE2-CD1 4.16Å; F105-F114 HydrophobicContact CE2-CG 4.36Å; F105-F114 HydrophobicContact CG-CD1 4.38Å; F105-F114 HydrophobicContact CG-CE1 4.38Å; C110-F114 PolarHBondContact O-N 3.27Å; I111-F114 PolarHBondContact O-N 3.11Å; F114-N116 VanDerWaalsContact C-N 3.3Å; F114-N116 PolarHBondContact O-N 3.45Å; F114-E117 PolarHBondContact O-N 2.92Å; F114-E117 VanDerWaalsContact O-N 3.15Å; F114-L118 HydrophobicContact CD1-CD1 3.96Å; F114-L118 HydrophobicContact CD1-CG 4.29Å; F114-L118 HydrophobicContact CE1-CD1 3.62Å; F114-L118 HydrophobicContact CE1-CD2 4.33Å; F114-L118 HydrophobicContact CE1-CG 4.06Å; F114-L118 HydrophobicContact CE2-CD2 4.36Å; F114-L118 HydrophobicContact CZ-CD1 4.16Å; F114-L118 HydrophobicContact CZ-CD2 4.02Å; F114-L118 HydrophobicContact CZ-CG 4.2Å; F114-L118 WeakPolarHBondContact O-CG 3.26Å; F114-L118 PolarHBondContact O-N 2.97Å; F114-L128 HydrophobicContact CE1-CD2 4.43Å; F114-F136 HydrophobicContact CD1-CD2 4.19Å; F114-F136 AromaticContact CD1-CE2 3.69Å; F114-F136 HydrophobicContact CD1-CE2 3.69Å; F114-F136 HydrophobicContact CD1-CZ 4.5Å; F114-F136 HydrophobicContact CE1-CE2 4.32Å
115	E	91.3	Very high	90.7	Very high	48 Å²	48	52.2 Å²	52.2	22%	0.224	28%	0.278	C	S	.	.	H	α-helix	trans	-63.1	-37	176.5	-168.2	-176	156	0	0	111.9	I111 A113 E117 L118 K119 F136 S140	I111-E115 WeakPolarHBondContact O-CB 3.26Å; I111-E115 PolarHBondContact O-N 2.88Å; A113-E115 PolarHBondContact O-N 3.16Å; E115-E117 VanDerWaalsContact C-N 3.35Å; E115-L118 PolarHBondContact O-N 3.32Å; E115-K119 HydrophobicContact CG-CD 4.43Å; E115-K119 WeakPolarHBondContact O-CB 3.45Å; E115-K119 WeakPolarHBondContact O-CG 3.29Å; E115-K119 PolarHBondContact O-N 3.47Å; E115-K119 WeakPolarHBondContact OE1-CE 3.32Å; E115-K119 IonicContact OE1-NZ 3.1Å; E115-K119 PolarHBondContact OE1-NZ 3.04Å; E115-F136 HydrophobicContact CB-CZ 4.19Å; E115-F136 HydrophobicContact CG-CZ 4.33Å; E115-S140 PolarHBondContact OE2-OG 3.03Å
116	N	93.2	Very high	90.4	Very high	79 Å²	79	56.7 Å²	56.7	42%	0.422	30%	0.302	S	S	.	.	H	α-helix	trans	-65.2	-37.6	173.9	-70.3	-18.4	0	0	0	112	R86 S112 A113 F114 Y120	R86-N116 PolarHBondContact NH2-O 2.9Å; S112-N116 WeakPolarHBondContact O-CB 3.34Å; S112-N116 PolarHBondContact O-N 2.98Å; S112-N116 PolarHBondContact O-ND2 3.41Å; S112-N116 VanDerWaalsContact O-ND2 3.16Å; S112-N116 PolarHBondContact O-OD1 3.14Å; A113-N116 WeakPolarHBondContact O-CB 3.43Å; A113-N116 PolarHBondContact O-N 2.92Å; F114-N116 VanDerWaalsContact C-N 3.3Å; F114-N116 PolarHBondContact O-N 3.45Å; N116-Y120 VanDerWaalsContact O-CB 3.26Å; N116-Y120 WeakPolarHBondContact O-CB 3.42Å; N116-Y120 PolarHBondContact O-N 3.46Å
117	E	95.2	Very high	90.3	Very high	14 Å²	14	58.8 Å²	58.8	7%	0.065	31%	0.312	C	S	.	.	H	α-helix	trans	-68.2	-44.9	173.3	-64.9	-50.8	130.7	0	0	111.6	R86 L90 I94 A113 F114 E115 K119 Y120 F121	R86-E117 IonicContact CZ-OE1 3.77Å; R86-E117 VanDerWaalsContact CZ-OE1 3.24Å; R86-E117 IonicContact CZ-OE2 2.7Å; R86-E117 IonicContact NE-OE1 2.89Å; R86-E117 PolarHBondContact NE-OE1 3.18Å; R86-E117 IonicContact NE-OE2 3.44Å; R86-E117 PolarHBondContact NE-OE2 2.95Å; R86-E117 VanDerWaalsContact NH2-CD 3.26Å; R86-E117 IonicContact NH2-OE1 2.65Å; R86-E117 PolarHBondContact NH2-OE1 3.38Å; R86-E117 IonicContact NH2-OE2 2.68Å; R86-E117 PolarHBondContact NH2-OE2 3.43Å; L90-E117 HydrophobicContact CB-CG 3.77Å; L90-E117 HydrophobicContact CD1-CG 3.52Å; L90-E117 HydrophobicContact CG-CG 4.27Å; I94-E117 HydrophobicContact CD1-CB 3.84Å; A113-E117 PolarHBondContact O-N 2.99Å; F114-E117 PolarHBondContact O-N 2.92Å; F114-E117 VanDerWaalsContact O-N 3.15Å; E115-E117 VanDerWaalsContact C-N 3.35Å; E117-K119 VanDerWaalsContact C-N 3.33Å; E117-K119 PolarHBondContact O-N 2.8Å; E117-Y120 PolarHBondContact O-N 3.15Å; E117-Y120 VanDerWaalsContact O-N 3.14Å; E117-F121 VanDerWaalsContact O-CD2 3.3Å; E117-F121 WeakPolarHBondContact O-CD2 3.49Å; E117-F121 PolarHBondContact O-N 3.42Å
118	L	93.8	Very high	90.5	Very high	4 Å²	4	50.4 Å²	50.4	2%	0.021	28%	0.276	C	S	.	.	H	α-helix	trans	-58.4	-45.2	176.6	-68.9	-176.7	0	0	0	112.1	L103 F114 E115 Y120 F121 S122 I123	L103-L118 HydrophobicContact CD1-CD2 3.99Å; L103-L118 HydrophobicContact CD2-CD1 4Å; L103-L118 HydrophobicContact CD2-CD2 3.64Å; L103-L118 HydrophobicContact CD2-CG 4.5Å; L103-L118 HydrophobicContact CG-CD2 4.43Å; F114-L118 HydrophobicContact CD1-CD1 3.96Å; F114-L118 HydrophobicContact CD1-CG 4.29Å; F114-L118 HydrophobicContact CE1-CD1 3.62Å; F114-L118 HydrophobicContact CE1-CD2 4.33Å; F114-L118 HydrophobicContact CE1-CG 4.06Å; F114-L118 HydrophobicContact CE2-CD2 4.36Å; F114-L118 HydrophobicContact CZ-CD1 4.16Å; F114-L118 HydrophobicContact CZ-CD2 4.02Å; F114-L118 HydrophobicContact CZ-CG 4.2Å; F114-L118 WeakPolarHBondContact O-CG 3.26Å; F114-L118 PolarHBondContact O-N 2.97Å; E115-L118 PolarHBondContact O-N 3.32Å; L118-Y120 VanDerWaalsContact C-N 3.35Å; L118-F121 PolarHBondContact O-N 3.25Å; L118-S122 PolarHBondContact O-N 3.03Å; L118-S122 VanDerWaalsContact O-N 3.11Å; L118-I123 HydrophobicContact CD2-CB 4.07Å; L118-I123 HydrophobicContact CD2-CG2 4.01Å; L118-I123 PolarHBondContact O-N 3.38Å
119	K	94	Very high	90.5	Very high	132 Å²	132	45.2 Å²	45.2	57%	0.574	25%	0.25	S	S	*	.	H	α-helix	trans	-62.7	-41.3	175.1	-74.7	174.3	-175.5	167.5	0	112.1	E115 E117 S122	E115-K119 HydrophobicContact CG-CD 4.43Å; E115-K119 WeakPolarHBondContact O-CB 3.45Å; E115-K119 WeakPolarHBondContact O-CG 3.29Å; E115-K119 PolarHBondContact O-N 3.47Å; E115-K119 WeakPolarHBondContact OE1-CE 3.32Å; E115-K119 IonicContact OE1-NZ 3.1Å; E115-K119 PolarHBondContact OE1-NZ 3.04Å; E117-K119 VanDerWaalsContact C-N 3.33Å; E117-K119 PolarHBondContact O-N 2.8Å; K119-S122 PolarHBondContact O-N 3.41Å
120	Y	95	Very high	90.2	Very high	62 Å²	62	50.9 Å²	50.9	24%	0.243	28%	0.281	C	S	.	.	H	α-helix	trans	-63.7	-43.9	179.1	-178.4	-94.7	0	0	0	111.9	L65 F74 F84 R86 N116 E117 L118 S122	L65-Y120 HydrophobicContact CD1-CE1 4.33Å; L65-Y120 VanDerWaalsContact CD1-O 3.24Å; L65-Y120 WeakPolarHBondContact CD1-O 3.24Å; F74-Y120 VanDerWaalsContact CE1-OH 3.31Å; F74-Y120 WeakPolarHBondContact CE1-OH 3.43Å; F84-Y120 AromaticContact CD1-CE1 3.8Å; F84-Y120 HydrophobicContact CD1-CE1 3.8Å; F84-Y120 HydrophobicContact CE1-CE1 4.31Å; R86-Y120 HydrophobicContact CG-CD1 4.08Å; R86-Y120 HydrophobicContact CG-CE1 3.74Å; R86-Y120 VanDerWaalsContact NH1-CD2 3.27Å; N116-Y120 VanDerWaalsContact O-CB 3.26Å; N116-Y120 WeakPolarHBondContact O-CB 3.42Å; N116-Y120 PolarHBondContact O-N 3.46Å; E117-Y120 PolarHBondContact O-N 3.15Å; E117-Y120 VanDerWaalsContact O-N 3.14Å; L118-Y120 VanDerWaalsContact C-N 3.35Å; Y120-S122 PolarHBondContact O-N 3.04Å
121	F	95.4	Very high	90	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	10.1	178	-70.6	-79	0	0	0	113.9	T64 L65 L66 F84 R86 F91 I94 E117 L118 I123	T64-F121 WeakPolarHBondContact CB-O 3.4Å; L65-F121 HydrophobicContact CD2-CD1 4.46Å; L65-F121 PolarHBondContact N-O 3.16Å; L66-F121 HydrophobicContact CD1-CD1 4.42Å; L66-F121 HydrophobicContact CD2-CE1 4.37Å; L66-F121 HydrophobicContact CG-CD1 4.13Å; L66-F121 HydrophobicContact CG-CE1 4.37Å; F84-F121 HydrophobicContact CD1-CE1 4.2Å; F84-F121 HydrophobicContact CD1-CZ 4.43Å; F84-F121 HydrophobicContact CE1-CE1 4.23Å; F84-F121 HydrophobicContact CG-CE1 4.37Å; F84-F121 HydrophobicContact CG-CZ 4.4Å; F84-F121 HydrophobicContact CZ-CE1 4.45Å; R86-F121 HydrophobicContact CG-CZ 4.46Å; F91-F121 HydrophobicContact CD2-CE1 4.08Å; F91-F121 AromaticContact CD2-CE2 3.87Å; F91-F121 HydrophobicContact CD2-CE2 3.87Å; F91-F121 AromaticContact CD2-CZ 3.51Å; F91-F121 HydrophobicContact CD2-CZ 3.51Å; F91-F121 HydrophobicContact CE2-CD1 4.39Å; F91-F121 AromaticContact CE2-CE1 3.67Å; F91-F121 HydrophobicContact CE2-CE1 3.67Å; F91-F121 HydrophobicContact CE2-CE2 4.29Å; F91-F121 AromaticContact CE2-CZ 3.6Å; F91-F121 HydrophobicContact CE2-CZ 3.6Å; I94-F121 HydrophobicContact CD1-CD2 3.23Å; I94-F121 HydrophobicContact CD1-CE2 3.58Å; I94-F121 HydrophobicContact CD1-CG 4.03Å; I94-F121 HydrophobicContact CG1-CD2 4.29Å; I94-F121 HydrophobicContact CG2-CB 4.36Å; I94-F121 HydrophobicContact CG2-CD1 4.47Å; I94-F121 HydrophobicContact CG2-CD2 4.38Å; I94-F121 HydrophobicContact CG2-CG 4.15Å; E117-F121 VanDerWaalsContact O-CD2 3.3Å; E117-F121 WeakPolarHBondContact O-CD2 3.49Å; E117-F121 PolarHBondContact O-N 3.42Å; L118-F121 PolarHBondContact O-N 3.25Å; F121-I123 HydrophobicContact CB-CD1 4.18Å; F121-I123 HydrophobicContact CB-CG1 4.37Å; F121-I123 PolarHBondContact O-N 3.16Å
122	S	93.3	Very high	89.8	Confident	49 Å²	49	52 Å²	52	34%	0.343	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.4	36.6	-179.5	-57.1	0	0	0	0	113.7	L118 K119 Y120	L118-S122 PolarHBondContact O-N 3.03Å; L118-S122 VanDerWaalsContact O-N 3.11Å; K119-S122 PolarHBondContact O-N 3.41Å; Y120-S122 PolarHBondContact O-N 3.04Å
123	I	92.6	Very high	89.6	Confident	7 Å²	7	54.1 Å²	54.1	4%	0.036	29%	0.291	C	S	.	.			trans	-97.5	121.8	174.4	-62.7	168.6	0	0	0	108.3	T64 I94 Y97 Y98 L103 L118 F121	T64-I123 HydrophobicContact CG2-CG1 3.68Å; I94-I123 HydrophobicContact CB-CD1 4.41Å; I94-I123 HydrophobicContact CG1-CD1 4.24Å; I94-I123 HydrophobicContact CG2-CD1 3.77Å; Y97-I123 HydrophobicContact CD1-CD1 3.72Å; Y97-I123 HydrophobicContact CD1-CG1 4.21Å; Y97-I123 HydrophobicContact CD1-CG2 4.31Å; Y97-I123 HydrophobicContact CE1-CD1 4.14Å; Y97-I123 HydrophobicContact CE1-CG1 4.12Å; Y97-I123 HydrophobicContact CE1-CG2 4.13Å; Y98-I123 HydrophobicContact CE2-CD1 4.27Å; L103-I123 HydrophobicContact CD2-CG2 3.98Å; L118-I123 HydrophobicContact CD2-CB 4.07Å; L118-I123 HydrophobicContact CD2-CG2 4.01Å; L118-I123 PolarHBondContact O-N 3.38Å; F121-I123 HydrophobicContact CB-CD1 4.18Å; F121-I123 HydrophobicContact CB-CG1 4.37Å; F121-I123 PolarHBondContact O-N 3.16Å
124	L	87.5	Confident	89	Confident	113 Å²	113	59.7 Å²	59.7	59%	0.592	31%	0.311	S	S	*	.			trans	-68.5	136.8	176.7	-62.9	174.4	0	0	0	110.4	D126 N127	L124-D126 PolarHBondContact O-N 3.22Å; L124-D126 VanDerWaalsContact O-N 3.15Å; L124-N127 WeakPolarHBondContact O-CB 3.33Å; L124-N127 PolarHBondContact O-N 3.02Å; L124-N127 VanDerWaalsContact O-N 3.13Å
125	S	85	Confident	88.5	Confident	43 Å²	43	61.4 Å²	61.4	30%	0.301	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-59.5	-22.7	173.9	48.1	0	0	0	0	113	N127 L128	S125-N127 PolarHBondContact O-N 3.17Å; S125-L128 VanDerWaalsContact O-CB 3.29Å; S125-L128 WeakPolarHBondContact O-CB 3.4Å; S125-L128 WeakPolarHBondContact O-CD1 3.39Å; S125-L128 WeakPolarHBondContact O-CG 3.37Å; S125-L128 PolarHBondContact O-N 3.31Å; S125-L128 VanDerWaalsContact O-N 3.13Å
126	D	83	Confident	88.3	Confident	108 Å²	108	59.3 Å²	59.3	58%	0.578	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-67.8	-15.1	179.3	-58.6	-12.5	0	0	0	112.7	L124 L128	L124-D126 PolarHBondContact O-N 3.22Å; L124-D126 VanDerWaalsContact O-N 3.15Å; D126-L128 PolarHBondContact O-N 2.97Å
127	N	84.9	Confident	87.8	Confident	60 Å²	60	57.1 Å²	57.1	32%	0.321	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-82.2	1.1	175.7	-61.4	-12.8	0	0	0	112.8	Y97 L103 L124 S125	Y97-N127 HydrophobicContact CE2-CB 3.84Å; Y97-N127 PolarHBondContact OH-ND2 3.42Å; L103-N127 WeakPolarHBondContact CB-O 3.45Å; L124-N127 WeakPolarHBondContact O-CB 3.33Å; L124-N127 PolarHBondContact O-N 3.02Å; L124-N127 VanDerWaalsContact O-N 3.13Å; S125-N127 PolarHBondContact O-N 3.17Å
128	L	87.3	Confident	87.1	Confident	9 Å²	9	59.9 Å²	59.9	5%	0.047	32%	0.316	C	S	.	.	B	Isolated β-bridge	trans	-62.1	136.3	172	-83	163.1	0	0	0	110.8	L103 F105 F114 S125 D126 C132 Y133 F136	L103-L128 HydrophobicContact CB-CD2 4.42Å; L103-L128 HydrophobicContact CD2-CD2 4.02Å; L103-L128 HydrophobicContact CD2-CG 3.92Å; L103-L128 HydrophobicContact CG-CD2 3.89Å; L103-L128 HydrophobicContact CG-CG 4.3Å; F105-L128 HydrophobicContact CB-CD2 3.89Å; F114-L128 HydrophobicContact CE1-CD2 4.43Å; S125-L128 VanDerWaalsContact O-CB 3.29Å; S125-L128 WeakPolarHBondContact O-CB 3.4Å; S125-L128 WeakPolarHBondContact O-CD1 3.39Å; S125-L128 WeakPolarHBondContact O-CG 3.37Å; S125-L128 PolarHBondContact O-N 3.31Å; S125-L128 VanDerWaalsContact O-N 3.13Å; D126-L128 PolarHBondContact O-N 2.97Å; L128-C132 HydrophobicContact CD2-CB 4.22Å; L128-Y133 HydrophobicContact CB-CD2 4.14Å; L128-F136 HydrophobicContact CD1-CB 3.7Å; L128-F136 HydrophobicContact CD1-CD1 3.28Å; L128-F136 HydrophobicContact CD1-CD2 4.2Å; L128-F136 HydrophobicContact CD1-CE1 3.91Å; L128-F136 HydrophobicContact CD1-CG 3.44Å; L128-F136 VanDerWaalsContact CD1-CG 3.44Å
129	S	86.5	Confident	86.6	Confident	21 Å²	21	64.2 Å²	64.2	15%	0.147	34%	0.337	C	S	.	.			trans	-67.9	150.3	175.2	-58.3	0	0	0	0	111.6	L103 C131 C132 Y133	L103-S129 PolarHBondContact O-N 3.35Å; L103-S129 PolarHBondContact O-OG 2.86Å; S129-C131 PolarHBondContact O-N 2.94Å; S129-C132 PolarHBondContact O-N 3.19Å; S129-Y133 PolarHBondContact O-N 3.16Å
130	D	84.2	Confident	86.1	Confident	150 Å²	150	59 Å²	59	80%	0.802	32%	0.316	S	S	*	.	H	α-helix	trans	-49.5	-37.7	-177.6	-60.6	-28.5	0	0	0	113.8	C132	D130-C132 PolarHBondContact O-N 3.33Å; D130-C132 VanDerWaalsContact O-N 3.16Å
131	C	84.5	Confident	85.5	Confident	96 Å²	96	62 Å²	62	65%	0.649	33%	0.331	S	S	*	.	H	α-helix	trans	-63.5	-21.3	179.7	66	0	0	0	0	114.5	H104 S129	H104-C131 VanDerWaalsContact CE1-SG 3.52Å; H104-C131 PolarHBondContact ND1-SG 3.34Å; H104-C131 VanDerWaalsContact ND1-SG 3.36Å; S129-C131 PolarHBondContact O-N 2.94Å
132	C	85.9	Confident	84.6	Confident	16 Å²	16	63 Å²	63	11%	0.108	34%	0.336	C	S	.	.	H	α-helix	trans	-115.1	-24.6	-175.9	-71.5	0	0	0	0	112.5	F105 L128 S129 D130 E134 S135 F136	F105-C132 HydrophobicContact CB-CB 4.07Å; F105-C132 PolarHBondContact N-SG 3.02Å; F105-C132 PolarHBondContact O-SG 3.26Å; L128-C132 HydrophobicContact CD2-CB 4.22Å; S129-C132 PolarHBondContact O-N 3.19Å; D130-C132 PolarHBondContact O-N 3.33Å; D130-C132 VanDerWaalsContact O-N 3.16Å; C132-E134 PolarHBondContact O-N 2.9Å; C132-S135 PolarHBondContact O-N 2.81Å; C132-F136 WeakPolarHBondContact O-CB 3.38Å; C132-F136 PolarHBondContact O-N 3.34Å
133	Y	83.2	Confident	84	Confident	93 Å²	93	62.9 Å²	62.9	37%	0.365	33%	0.331	S	S	.	.	H	α-helix	trans	-55.4	-54.7	-171.2	-178.1	-101.5	0	0	0	112.7	L128 S129 S135 F136 I137	L128-Y133 HydrophobicContact CB-CD2 4.14Å; S129-Y133 PolarHBondContact O-N 3.16Å; Y133-S135 PolarHBondContact O-N 3.46Å; Y133-F136 PolarHBondContact O-N 3.5Å; Y133-I137 HydrophobicContact CD1-CG1 4.41Å; Y133-I137 HydrophobicContact CD2-CG1 4.23Å; Y133-I137 HydrophobicContact CE1-CG1 4.11Å; Y133-I137 HydrophobicContact CE2-CD1 4.18Å; Y133-I137 HydrophobicContact CE2-CG1 3.89Å; Y133-I137 HydrophobicContact CG-CG1 4.47Å; Y133-I137 WeakPolarHBondContact O-CG1 3.47Å; Y133-I137 PolarHBondContact O-N 3.21Å
134	E	79.9	Confident	83.3	Confident	150 Å²	150	68 Å²	68	70%	0.701	36%	0.355	S	S	*	.	H	α-helix	trans	-59	-46.2	-179.1	-66.8	-173.6	164.4	0	0	112.1	C132 F136 I137 D138	C132-E134 PolarHBondContact O-N 2.9Å; E134-F136 VanDerWaalsContact C-N 3.32Å; E134-F136 PolarHBondContact O-N 3.43Å; E134-I137 PolarHBondContact O-N 3.15Å; E134-D138 VanDerWaalsContact O-CB 3.31Å; E134-D138 WeakPolarHBondContact O-CB 3.47Å; E134-D138 PolarHBondContact O-N 3.22Å
135	S	83.7	Confident	82.7	Confident	36 Å²	36	67.4 Å²	67.4	25%	0.252	35%	0.349	S	S	.	.	H	α-helix	trans	-64.2	-36.9	-179.9	-173.6	0	0	0	0	112.2	C132 Y133 H139	C132-S135 PolarHBondContact O-N 2.81Å; Y133-S135 PolarHBondContact O-N 3.46Å; S135-H139 WeakPolarHBondContact O-CB 3.35Å; S135-H139 PolarHBondContact O-CD2 3.37Å; S135-H139 PolarHBondContact O-N 3.37Å
136	F	86.2	Confident	82.3	Confident	3 Å²	3	70.3 Å²	70.3	1%	0.013	35%	0.353	C	S	.	.	H	α-helix	trans	-70.7	-48.5	178.4	179.4	-97.2	0	0	0	111.1	F105 I111 F114 E115 L128 C132 Y133 E134 H139 S140	F105-F136 HydrophobicContact CB-CB 4.49Å; F105-F136 HydrophobicContact CB-CD2 4.35Å; F105-F136 HydrophobicContact CD1-CB 4.17Å; F105-F136 HydrophobicContact CD1-CD2 4.15Å; F105-F136 AromaticContact CD2-CD2 3.95Å; F105-F136 HydrophobicContact CD2-CD2 3.95Å; F105-F136 HydrophobicContact CD2-CE2 4.48Å; F105-F136 HydrophobicContact CE2-CD2 4.38Å; F105-F136 HydrophobicContact CG-CB 4.38Å; F105-F136 AromaticContact CG-CD2 3.85Å; F105-F136 HydrophobicContact CG-CD2 3.85Å; I111-F136 HydrophobicContact CG2-CD2 4.08Å; I111-F136 HydrophobicContact CG2-CE2 3.7Å; I111-F136 HydrophobicContact CG2-CZ 4.36Å; F114-F136 HydrophobicContact CD1-CD2 4.19Å; F114-F136 AromaticContact CD1-CE2 3.69Å; F114-F136 HydrophobicContact CD1-CE2 3.69Å; F114-F136 HydrophobicContact CD1-CZ 4.5Å; F114-F136 HydrophobicContact CE1-CE2 4.32Å; E115-F136 HydrophobicContact CB-CZ 4.19Å; E115-F136 HydrophobicContact CG-CZ 4.33Å; L128-F136 HydrophobicContact CD1-CB 3.7Å; L128-F136 HydrophobicContact CD1-CD1 3.28Å; L128-F136 HydrophobicContact CD1-CD2 4.2Å; L128-F136 HydrophobicContact CD1-CE1 3.91Å; L128-F136 HydrophobicContact CD1-CG 3.44Å; L128-F136 VanDerWaalsContact CD1-CG 3.44Å; C132-F136 WeakPolarHBondContact O-CB 3.38Å; C132-F136 PolarHBondContact O-N 3.34Å; Y133-F136 PolarHBondContact O-N 3.5Å; E134-F136 VanDerWaalsContact C-N 3.32Å; E134-F136 PolarHBondContact O-N 3.43Å; F136-H139 PolarHBondContact O-N 3.05Å; F136-S140 VanDerWaalsContact O-CB 3.3Å; F136-S140 WeakPolarHBondContact O-CB 3.47Å; F136-S140 PolarHBondContact O-N 3.13Å
137	I	82	Confident	82.1	Confident	34 Å²	34	69.5 Å²	69.5	17%	0.174	35%	0.349	C	S	.	.	H	α-helix	trans	-62.7	-45.7	-179.7	-66.3	-63.6	0	0	0	111.3	Y133 E134 H139 S140 K141	Y133-I137 HydrophobicContact CD1-CG1 4.41Å; Y133-I137 HydrophobicContact CD2-CG1 4.23Å; Y133-I137 HydrophobicContact CE1-CG1 4.11Å; Y133-I137 HydrophobicContact CE2-CD1 4.18Å; Y133-I137 HydrophobicContact CE2-CG1 3.89Å; Y133-I137 HydrophobicContact CG-CG1 4.47Å; Y133-I137 WeakPolarHBondContact O-CG1 3.47Å; Y133-I137 PolarHBondContact O-N 3.21Å; E134-I137 PolarHBondContact O-N 3.15Å; I137-H139 VanDerWaalsContact C-N 3.33Å; I137-H139 PolarHBondContact O-N 3.44Å; I137-S140 PolarHBondContact O-N 2.96Å; I137-K141 HydrophobicContact CG2-CD 3.9Å; I137-K141 HydrophobicContact CG2-CG 4.42Å; I137-K141 WeakPolarHBondContact O-CB 3.21Å; I137-K141 VanDerWaalsContact O-CG 3.31Å; I137-K141 WeakPolarHBondContact O-CG 3.35Å; I137-K141 PolarHBondContact O-N 3.4Å
138	D	80.7	Confident	81.6	Confident	71 Å²	71	70.9 Å²	70.9	38%	0.38	35%	0.353	S	S	.	.	H	α-helix	trans	-61.1	-43.2	179.3	-89.6	-1.5	0	0	0	111.8	E134 D142	E134-D138 VanDerWaalsContact O-CB 3.31Å; E134-D138 WeakPolarHBondContact O-CB 3.47Å; E134-D138 PolarHBondContact O-N 3.22Å; D138-D142 WeakPolarHBondContact O-CB 3.31Å; D138-D142 VanDerWaalsContact O-CG 3.28Å; D138-D142 PolarHBondContact O-N 3.2Å
139	H	83.6	Confident	80.9	Confident	96 Å²	96	72.5 Å²	72.5	44%	0.444	36%	0.362	S	S	.	.	H	α-helix	trans	-77.4	-32.4	180	-75.7	-119.3	0	0	0	113.3	I111 S135 F136 I137 D142 I143	I111-H139 HydrophobicContact CD1-CB 3.06Å; I111-H139 HydrophobicContact CG1-CB 4.31Å; S135-H139 WeakPolarHBondContact O-CB 3.35Å; S135-H139 PolarHBondContact O-CD2 3.37Å; S135-H139 PolarHBondContact O-N 3.37Å; F136-H139 PolarHBondContact O-N 3.05Å; I137-H139 VanDerWaalsContact C-N 3.33Å; I137-H139 PolarHBondContact O-N 3.44Å; H139-D142 WeakPolarHBondContact O-CB 3.37Å; H139-D142 PolarHBondContact O-N 2.92Å; H139-I143 WeakPolarHBondContact O-CG1 3.3Å; H139-I143 PolarHBondContact O-N 2.83Å
140	S	84.9	Confident	80.3	Confident	21 Å²	21	74.7 Å²	74.7	15%	0.147	37%	0.372	C	S	.	.	H	α-helix	trans	-64	-47.6	173.8	177.8	0	0	0	0	110.3	E115 F136 I137 D142 I143 E144	E115-S140 PolarHBondContact OE2-OG 3.03Å; F136-S140 VanDerWaalsContact O-CB 3.3Å; F136-S140 WeakPolarHBondContact O-CB 3.47Å; F136-S140 PolarHBondContact O-N 3.13Å; I137-S140 PolarHBondContact O-N 2.96Å; S140-D142 VanDerWaalsContact C-N 3.29Å; S140-D142 PolarHBondContact O-N 2.9Å; S140-I143 PolarHBondContact O-N 3.37Å; S140-E144 PolarHBondContact O-N 2.65Å
141	K	80.9	Confident	79.7	Confident	125 Å²	125	74.3 Å²	74.3	54%	0.543	36%	0.363	S	S	.	.	H	α-helix	trans	-56.7	-41.3	171.3	-73.5	174.8	179	171.4	0	112.2	I137 I143 E144 Q145	I137-K141 HydrophobicContact CG2-CD 3.9Å; I137-K141 HydrophobicContact CG2-CG 4.42Å; I137-K141 WeakPolarHBondContact O-CB 3.21Å; I137-K141 VanDerWaalsContact O-CG 3.31Å; I137-K141 WeakPolarHBondContact O-CG 3.35Å; I137-K141 PolarHBondContact O-N 3.4Å; K141-I143 VanDerWaalsContact C-N 3.31Å; K141-I143 PolarHBondContact O-N 3.29Å; K141-E144 PolarHBondContact O-N 3.32Å; K141-Q145 WeakPolarHBondContact O-CB 3.49Å; K141-Q145 PolarHBondContact O-N 2.96Å
142	D	76.2	Confident	79	Confident	22 Å²	22	75 Å²	75	12%	0.118	36%	0.355	C	S	.	.	H	α-helix	trans	-64.2	-34.1	176.2	-83.9	-1.9	0	0	0	112.8	D138 H139 S140 R146 R418	D138-D142 WeakPolarHBondContact O-CB 3.31Å; D138-D142 VanDerWaalsContact O-CG 3.28Å; D138-D142 PolarHBondContact O-N 3.2Å; H139-D142 WeakPolarHBondContact O-CB 3.37Å; H139-D142 PolarHBondContact O-N 2.92Å; S140-D142 VanDerWaalsContact C-N 3.29Å; S140-D142 PolarHBondContact O-N 2.9Å; D142-R146 WeakPolarHBondContact O-CD 3.35Å; D142-R146 WeakPolarHBondContact O-CG 3.41Å; D142-R146 PolarHBondContact O-N 3.46Å; D142-R146 PolarHBondContact O-NE 3.09Å; D142-R418 VanDerWaalsContact CG-CZ 3.48Å; D142-R418 IonicContact OD1-CZ 3.41Å; D142-R418 IonicContact OD1-NE 3.05Å; D142-R418 PolarHBondContact OD1-NE 2.72Å; D142-R418 VanDerWaalsContact OD1-NE 3.12Å; D142-R418 IonicContact OD1-NH1 3.88Å; D142-R418 PolarHBondContact OD1-NH1 3.04Å; D142-R418 IonicContact OD1-NH2 2.97Å; D142-R418 PolarHBondContact OD1-NH2 3.21Å; D142-R418 IonicContact OD2-CZ 3.75Å; D142-R418 IonicContact OD2-NE 3.24Å; D142-R418 PolarHBondContact OD2-NE 2.91Å; D142-R418 IonicContact OD2-NH2 3.62Å; D142-R418 PolarHBondContact OD2-NH2 3.24Å
143	I	81.1	Confident	78	Confident	46 Å²	46	77.8 Å²	77.8	24%	0.236	37%	0.372	C	S	.	.	H	α-helix	trans	-73.8	-47.6	175.5	-70.1	166.9	0	0	0	110.2	I111 H139 S140 K141 Q145 R146 L147	I111-I143 HydrophobicContact CB-CD1 3.77Å; I111-I143 HydrophobicContact CD1-CD1 4.15Å; I111-I143 HydrophobicContact CG2-CD1 4.07Å; H139-I143 WeakPolarHBondContact O-CG1 3.3Å; H139-I143 PolarHBondContact O-N 2.83Å; S140-I143 PolarHBondContact O-N 3.37Å; K141-I143 VanDerWaalsContact C-N 3.31Å; K141-I143 PolarHBondContact O-N 3.29Å; I143-Q145 VanDerWaalsContact C-N 3.32Å; I143-Q145 PolarHBondContact O-N 2.95Å; I143-R146 WeakPolarHBondContact O-CB 3.28Å; I143-R146 PolarHBondContact O-N 3.05Å; I143-R146 VanDerWaalsContact O-N 3.09Å; I143-L147 HydrophobicContact CG2-CD1 3.94Å; I143-L147 HydrophobicContact CG2-CG 4.29Å; I143-L147 WeakPolarHBondContact O-CG 3.44Å; I143-L147 PolarHBondContact O-N 2.93Å
144	E	78.9	Confident	77.1	Confident	115 Å²	115	79.2 Å²	79.2	54%	0.537	38%	0.38	S	S	.	.	H	α-helix	trans	-56.4	-47	178.9	-176.2	174.3	-157.7	0	0	111.2	S140 K141 R146 L147 E148	S140-E144 PolarHBondContact O-N 2.65Å; K141-E144 PolarHBondContact O-N 3.32Å; E144-R146 VanDerWaalsContact C-N 3.31Å; E144-R146 PolarHBondContact O-N 3.12Å; E144-L147 WeakPolarHBondContact O-CB 3.44Å; E144-L147 PolarHBondContact O-N 2.77Å; E144-L147 VanDerWaalsContact O-N 3.14Å; E144-E148 WeakPolarHBondContact O-CG 3.42Å; E144-E148 PolarHBondContact O-N 3.33Å
145	Q	75.3	Confident	76.3	Confident	101 Å²	101	76.5 Å²	76.5	47%	0.472	37%	0.374	S	S	.	.	H	α-helix	trans	-61.5	-37.7	177.1	-171.2	177.3	15.9	0	0	112.6	K141 I143 E148 D149	K141-Q145 WeakPolarHBondContact O-CB 3.49Å; K141-Q145 PolarHBondContact O-N 2.96Å; I143-Q145 VanDerWaalsContact C-N 3.32Å; I143-Q145 PolarHBondContact O-N 2.95Å; Q145-E148 PolarHBondContact O-N 2.87Å; Q145-D149 WeakPolarHBondContact O-CB 3.49Å; Q145-D149 PolarHBondContact O-N 3.47Å
146	R	75.3	Confident	75.2	Confident	103 Å²	103	78.7 Å²	78.7	39%	0.389	38%	0.38	S	S	.	.	H	α-helix	trans	-67	-42	174.8	-72.5	171.2	-161.2	170.7	9.7	111.5	D142 I143 E144 E148 D149 D150	D142-R146 WeakPolarHBondContact O-CD 3.35Å; D142-R146 WeakPolarHBondContact O-CG 3.41Å; D142-R146 PolarHBondContact O-N 3.46Å; D142-R146 PolarHBondContact O-NE 3.09Å; I143-R146 WeakPolarHBondContact O-CB 3.28Å; I143-R146 PolarHBondContact O-N 3.05Å; I143-R146 VanDerWaalsContact O-N 3.09Å; E144-R146 VanDerWaalsContact C-N 3.31Å; E144-R146 PolarHBondContact O-N 3.12Å; R146-E148 VanDerWaalsContact C-N 3.29Å; R146-E148 PolarHBondContact O-N 3.47Å; R146-D149 PolarHBondContact O-N 2.9Å; R146-D150 WeakPolarHBondContact O-CB 3.3Å; R146-D150 PolarHBondContact O-N 3.29Å
147	L	78.3	Confident	73.9	Confident	92 Å²	92	84 Å²	84	48%	0.482	40%	0.401	S	S	.	.	H	α-helix	trans	-63	-37.5	175.5	-69.2	171.9	0	0	0	111.3	I143 E144 K151	I143-L147 HydrophobicContact CG2-CD1 3.94Å; I143-L147 HydrophobicContact CG2-CG 4.29Å; I143-L147 WeakPolarHBondContact O-CG 3.44Å; I143-L147 PolarHBondContact O-N 2.93Å; E144-L147 WeakPolarHBondContact O-CB 3.44Å; E144-L147 PolarHBondContact O-N 2.77Å; E144-L147 VanDerWaalsContact O-N 3.14Å; L147-K151 VanDerWaalsContact O-CB 3.29Å; L147-K151 WeakPolarHBondContact O-CB 3.43Å; L147-K151 WeakPolarHBondContact O-CG 3.29Å; L147-K151 PolarHBondContact O-N 2.87Å
148	E	74.9	Confident	72.7	Confident	88 Å²	88	87.6 Å²	87.6	41%	0.411	42%	0.416	S	S	.	.	H	α-helix	trans	-65.5	-43.8	172.9	-73.5	-170.3	175	0	0	112.8	E144 Q145 R146 K151 K152	E144-E148 WeakPolarHBondContact O-CG 3.42Å; E144-E148 PolarHBondContact O-N 3.33Å; Q145-E148 PolarHBondContact O-N 2.87Å; R146-E148 VanDerWaalsContact C-N 3.29Å; R146-E148 PolarHBondContact O-N 3.47Å; E148-K151 PolarHBondContact O-N 3.11Å; E148-K152 VanDerWaalsContact O-CG 3.25Å; E148-K152 WeakPolarHBondContact O-CG 3.33Å; E148-K152 PolarHBondContact O-N 3.42Å; E148-K152 IonicContact OE2-NZ 2.72Å
149	D	73	Confident	71.5	Confident	44 Å²	44	87.7 Å²	87.7	24%	0.235	42%	0.421	C	S	.	.	H	α-helix	trans	-65.2	-42.9	178	-78.9	-3.2	0	0	0	110.7	Q145 R146 K151 K152 T153	Q145-D149 WeakPolarHBondContact O-CB 3.49Å; Q145-D149 PolarHBondContact O-N 3.47Å; R146-D149 PolarHBondContact O-N 2.9Å; D149-K151 PolarHBondContact O-N 3.38Å; D149-K152 WeakPolarHBondContact O-CB 3.49Å; D149-K152 PolarHBondContact O-N 2.89Å; D149-K152 IonicContact OD1-NZ 2.7Å; D149-K152 PolarHBondContact OD1-NZ 3.48Å; D149-T153 PolarHBondContact O-N 2.89Å; D149-T153 PolarHBondContact O-OG1 3.16Å; D149-T153 VanDerWaalsContact O-OG1 3.1Å
150	D	73	Confident	70.1	Confident	66 Å²	66	86.4 Å²	86.4	35%	0.353	42%	0.417	S	S	.	.	H	α-helix	trans	-62.6	-41.7	173.5	-75.2	-3.6	0	0	0	111.3	R146 K152 T153 F154	R146-D150 WeakPolarHBondContact O-CB 3.3Å; R146-D150 PolarHBondContact O-N 3.29Å; D150-K152 PolarHBondContact O-N 3.36Å; D150-T153 PolarHBondContact O-N 3.31Å; D150-F154 VanDerWaalsContact O-CB 3.28Å; D150-F154 WeakPolarHBondContact O-CB 3.33Å; D150-F154 PolarHBondContact O-N 2.98Å
151	K	73.1	Confident	68.7	Low	142 Å²	142	89.3 Å²	89.3	62%	0.617	44%	0.435	S	S	*	.	H	α-helix	trans	-61.1	-41.6	173.1	-79.2	171.2	-174.7	176	0	111.7	L147 E148 D149 F154 T155	L147-K151 VanDerWaalsContact O-CB 3.29Å; L147-K151 WeakPolarHBondContact O-CB 3.43Å; L147-K151 WeakPolarHBondContact O-CG 3.29Å; L147-K151 PolarHBondContact O-N 2.87Å; E148-K151 PolarHBondContact O-N 3.11Å; D149-K151 PolarHBondContact O-N 3.38Å; K151-F154 PolarHBondContact O-N 3.04Å; K151-T155 VanDerWaalsContact O-CB 3.28Å; K151-T155 WeakPolarHBondContact O-CB 3.45Å; K151-T155 PolarHBondContact O-N 3.4Å; K151-T155 PolarHBondContact O-OG1 3.4Å
152	K	69.8	Low	67.3	Low	110 Å²	110	88.9 Å²	88.9	48%	0.478	44%	0.437	S	S	.	.	H	α-helix	trans	-63.4	-46.5	176.2	-70.8	163.1	-160.6	152.4	0	110.4	E148 D149 D150 T155 Q156	E148-K152 VanDerWaalsContact O-CG 3.25Å; E148-K152 WeakPolarHBondContact O-CG 3.33Å; E148-K152 PolarHBondContact O-N 3.42Å; E148-K152 IonicContact OE2-NZ 2.72Å; D149-K152 WeakPolarHBondContact O-CB 3.49Å; D149-K152 PolarHBondContact O-N 2.89Å; D149-K152 IonicContact OD1-NZ 2.7Å; D149-K152 PolarHBondContact OD1-NZ 3.48Å; D150-K152 PolarHBondContact O-N 3.36Å; K152-T155 PolarHBondContact O-N 2.97Å; K152-Q156 WeakPolarHBondContact O-CB 3.34Å; K152-Q156 PolarHBondContact O-N 2.76Å
153	T	64.2	Low	66	Low	75 Å²	75	91 Å²	91	46%	0.46	45%	0.449	S	S	.	.	H	α-helix	trans	-63.2	-43.6	177	-58	0	0	0	0	111.9	D149 D150 Q156 Y157	D149-T153 PolarHBondContact O-N 2.89Å; D149-T153 PolarHBondContact O-OG1 3.16Å; D149-T153 VanDerWaalsContact O-OG1 3.1Å; D150-T153 PolarHBondContact O-N 3.31Å; T153-Q156 WeakPolarHBondContact O-CB 3.45Å; T153-Q156 PolarHBondContact O-N 2.96Å; T153-Y157 PolarHBondContact O-N 3.03Å
154	F	64.5	Low	64.7	Low	124 Å²	124	94.6 Å²	94.6	54%	0.544	48%	0.478	S	S	.	.	H	α-helix	trans	-66.3	-41.8	176.7	-177.5	-98.3	0	0	0	112.4	D150 K151 Q156 Y157 K158	D150-F154 VanDerWaalsContact O-CB 3.28Å; D150-F154 WeakPolarHBondContact O-CB 3.33Å; D150-F154 PolarHBondContact O-N 2.98Å; K151-F154 PolarHBondContact O-N 3.04Å; F154-Q156 VanDerWaalsContact C-N 3.3Å; F154-Q156 PolarHBondContact O-N 3.37Å; F154-Y157 PolarHBondContact O-N 2.74Å; F154-K158 HydrophobicContact CE1-CB 4.48Å; F154-K158 HydrophobicContact CE1-CD 4.06Å; F154-K158 VanDerWaalsContact O-CB 3.31Å; F154-K158 WeakPolarHBondContact O-CB 3.31Å; F154-K158 PolarHBondContact O-N 3.33Å
155	T	63.2	Low	63.6	Low	93 Å²	93	95.7 Å²	95.7	57%	0.571	49%	0.487	S	S	*	.	H	α-helix	trans	-62.8	-40.7	175.8	-55.5	0	0	0	0	110.7	K151 K152 K158 S159	K151-T155 VanDerWaalsContact O-CB 3.28Å; K151-T155 WeakPolarHBondContact O-CB 3.45Å; K151-T155 PolarHBondContact O-N 3.4Å; K151-T155 PolarHBondContact O-OG1 3.4Å; K152-T155 PolarHBondContact O-N 2.97Å; T155-K158 PolarHBondContact O-N 2.99Å; T155-S159 WeakPolarHBondContact O-CB 3.48Å; T155-S159 PolarHBondContact O-N 3.08Å; T155-S159 PolarHBondContact O-OG 3.34Å
156	Q	60.7	Low	62.9	Low	81 Å²	81	93.6 Å²	93.6	38%	0.379	48%	0.481	S	S	.	.	H	α-helix	trans	-62.6	-44.9	173.8	-174.2	174	-5.8	0	0	111.3	K152 T153 F154 S159 L160	K152-Q156 WeakPolarHBondContact O-CB 3.34Å; K152-Q156 PolarHBondContact O-N 2.76Å; T153-Q156 WeakPolarHBondContact O-CB 3.45Å; T153-Q156 PolarHBondContact O-N 2.96Å; F154-Q156 VanDerWaalsContact C-N 3.3Å; F154-Q156 PolarHBondContact O-N 3.37Å; Q156-S159 PolarHBondContact O-N 3.38Å; Q156-S159 PolarHBondContact O-OG 3.31Å; Q156-L160 PolarHBondContact O-N 2.93Å
157	Y	58.8	Low	63	Low	114 Å²	114	95.3 Å²	95.3	45%	0.447	49%	0.491	S	S	.	.	H	α-helix	trans	-64.2	-46.8	175.6	-173.1	-94.5	0	0	0	112.4	T153 F154 S159 L160 T161	T153-Y157 PolarHBondContact O-N 3.03Å; F154-Y157 PolarHBondContact O-N 2.74Å; Y157-S159 VanDerWaalsContact C-N 3.27Å; Y157-S159 PolarHBondContact O-N 2.96Å; Y157-L160 CarbonylContact O-C 3.54Å; Y157-L160 WeakPolarHBondContact O-CA 3.44Å; Y157-L160 VanDerWaalsContact O-CB 3.27Å; Y157-L160 WeakPolarHBondContact O-CB 3.22Å; Y157-L160 PolarHBondContact O-N 3.32Å; Y157-T161 WeakPolarHBondContact CD1-OG1 3.37Å; Y157-T161 HydrophobicContact CE1-CG2 4.32Å; Y157-T161 VanDerWaalsContact CE1-OG1 3.29Å; Y157-T161 WeakPolarHBondContact CE1-OG1 3.39Å; Y157-T161 PolarHBondContact O-N 2.97Å; Y157-T161 PolarHBondContact O-OG1 3.01Å
158	K	56.1	Low	63.2	Low	111 Å²	111	98 Å²	98	48%	0.483	50%	0.499	S	S	.	.	H	α-helix	trans	-60.2	-36.9	178.4	-172.4	173.3	-177.9	176.7	0	112	F154 T155 L160 T161 I162	F154-K158 HydrophobicContact CE1-CB 4.48Å; F154-K158 HydrophobicContact CE1-CD 4.06Å; F154-K158 VanDerWaalsContact O-CB 3.31Å; F154-K158 WeakPolarHBondContact O-CB 3.31Å; F154-K158 PolarHBondContact O-N 3.33Å; T155-K158 PolarHBondContact O-N 2.99Å; K158-L160 VanDerWaalsContact C-N 3.26Å; K158-L160 PolarHBondContact O-N 3.38Å; K158-T161 PolarHBondContact O-N 3.43Å; K158-I162 HydrophobicContact CD-CD1 4.2Å; K158-I162 HydrophobicContact CG-CD1 3.56Å; K158-I162 HydrophobicContact CG-CG1 4.28Å; K158-I162 PolarHBondContact O-N 3.33Å
159	S	55.6	Low	63.7	Low	72 Å²	72	97.1 Å²	97.1	50%	0.503	49%	0.492	S	S	.	.	H	α-helix	trans	-64.9	-29.6	173.1	74.8	0	0	0	0	113	T155 Q156 Y157	T155-S159 WeakPolarHBondContact O-CB 3.48Å; T155-S159 PolarHBondContact O-N 3.08Å; T155-S159 PolarHBondContact O-OG 3.34Å; Q156-S159 PolarHBondContact O-N 3.38Å; Q156-S159 PolarHBondContact O-OG 3.31Å; Y157-S159 VanDerWaalsContact C-N 3.27Å; Y157-S159 PolarHBondContact O-N 2.96Å
160	L	54.8	Low	64.1	Low	69 Å²	69	97.6 Å²	97.6	36%	0.361	49%	0.493	S	S	.	.	H	α-helix	trans	-78.5	-36.6	174.5	-89.7	168.9	0	0	0	113.2	Q156 Y157 K158 T174	Q156-L160 PolarHBondContact O-N 2.93Å; Y157-L160 CarbonylContact O-C 3.54Å; Y157-L160 WeakPolarHBondContact O-CA 3.44Å; Y157-L160 VanDerWaalsContact O-CB 3.27Å; Y157-L160 WeakPolarHBondContact O-CB 3.22Å; Y157-L160 PolarHBondContact O-N 3.32Å; K158-L160 VanDerWaalsContact C-N 3.26Å; K158-L160 PolarHBondContact O-N 3.38Å; L160-T174 HydrophobicContact CD2-CG2 4.36Å
161	T	54.2	Low	64.6	Low	83 Å²	83	100.1 Å²	100.1	51%	0.509	50%	0.501	S	S	.	.	H	α-helix	trans	-80.8	-32.2	-174.5	-14.7	0	0	0	0	113.7	Y157 K158	Y157-T161 WeakPolarHBondContact CD1-OG1 3.37Å; Y157-T161 HydrophobicContact CE1-CG2 4.32Å; Y157-T161 VanDerWaalsContact CE1-OG1 3.29Å; Y157-T161 WeakPolarHBondContact CE1-OG1 3.39Å; Y157-T161 PolarHBondContact O-N 2.97Å; Y157-T161 PolarHBondContact O-OG1 3.01Å; K158-T161 PolarHBondContact O-N 3.43Å
162	I	53.1	Low	65.2	Low	115 Å²	115	94.6 Å²	94.6	59%	0.59	48%	0.478	S	S	*	.	H	α-helix	trans	-83.8	-21.2	-172.6	-64.6	179.1	0	0	0	112.7	K158 S164	K158-I162 HydrophobicContact CD-CD1 4.2Å; K158-I162 HydrophobicContact CG-CD1 3.56Å; K158-I162 HydrophobicContact CG-CG1 4.28Å; K158-I162 PolarHBondContact O-N 3.33Å; I162-S164 PolarHBondContact O-N 3.44Å
163	N	47.4	Very low	66.1	Low	68 Å²	68	92.4 Å²	92.4	36%	0.364	47%	0.467	S	S	.	.			trans	-97	86.8	175.4	-86	-11.6	0	0	0	111.1	N165 V166 E170	N163-N165 PolarHBondContact O-N 2.96Å; N163-N165 VanDerWaalsContact O-N 3.13Å; N163-V166 WeakPolarHBondContact O-CG2 3.36Å; N163-V166 PolarHBondContact O-N 3.44Å; N163-E170 PolarHBondContact ND2-OE2 3.34Å; N163-E170 VanDerWaalsContact ND2-OE2 3.16Å
164	S	54.5	Low	66.8	Low	121 Å²	121	90.2 Å²	90.2	85%	0.846	45%	0.453	S	S	*	.	S	Bend	trans	-59.3	-16.3	163	53	0	0	0	0	112.7	I162	I162-S164 PolarHBondContact O-N 3.44Å
165	N	55.4	Low	67.8	Low	137 Å²	137	86 Å²	86	73%	0.733	44%	0.436	S	S	*	.	S	Bend	trans	-107.6	67.9	165.3	-76.9	-23.2	0	0	0	110.9	N163 K167	N163-N165 PolarHBondContact O-N 2.96Å; N163-N165 VanDerWaalsContact O-N 3.13Å; N165-K167 PolarHBondContact O-N 3.03Å
166	V	60.7	Low	69	Low	58 Å²	58	83.2 Å²	83.2	35%	0.352	42%	0.416	S	S	.	.			trans	-58.3	109.1	170.1	-176.2	0	0	0	0	107.9	N163 F168 E170 K171	N163-V166 WeakPolarHBondContact O-CG2 3.36Å; N163-V166 PolarHBondContact O-N 3.44Å; V166-F168 PolarHBondContact O-N 2.87Å; V166-E170 HydrophobicContact CG1-CB 3.63Å; V166-K171 HydrophobicContact CG1-CB 4.07Å
167	K	77.8	Confident	69.9	Low	139 Å²	139	83.8 Å²	83.8	60%	0.604	42%	0.418	S	S	*	.			trans	-57.8	143.5	176.2	-69.2	-179.1	180	178.3	0	108.3	N165 R169 E170 K171	N165-K167 PolarHBondContact O-N 3.03Å; K167-R169 PolarHBondContact O-N 3.39Å; K167-E170 PolarHBondContact O-N 3.14Å; K167-K171 PolarHBondContact O-N 2.86Å
168	F	82.7	Confident	70.8	Confident	147 Å²	147	80.8 Å²	80.8	65%	0.645	41%	0.41	S	S	*	.	H	α-helix	trans	-44.4	-37.1	176.9	172.1	-102.4	0	0	0	112.8	V166 K171 L172 Y252	V166-F168 PolarHBondContact O-N 2.87Å; F168-K171 PolarHBondContact O-N 2.9Å; F168-L172 HydrophobicContact CE1-CD2 4.3Å; F168-L172 WeakPolarHBondContact O-CB 3.48Å; F168-L172 PolarHBondContact O-N 2.86Å; F168-Y252 HydrophobicContact CD1-CE1 4.45Å
169	R	84.7	Confident	72	Confident	70 Å²	70	76.8 Å²	76.8	26%	0.264	40%	0.396	S	S	.	.	H	α-helix	trans	-57.2	-49	174.3	-171.1	-173.7	65.4	-178.1	0.1	114.3	K167 L172 W173 Y252	K167-R169 PolarHBondContact O-N 3.39Å; R169-L172 PolarHBondContact O-N 3.21Å; R169-W173 PolarHBondContact O-N 3.48Å; R169-Y252 HydrophobicContact CB-CE1 4.21Å; R169-Y252 VanDerWaalsContact CD-O 3.27Å; R169-Y252 WeakPolarHBondContact CD-O 3.46Å; R169-Y252 HydrophobicContact CG-CD1 4.4Å; R169-Y252 HydrophobicContact CG-CE1 4.21Å; R169-Y252 VanDerWaalsContact CG-O 3.31Å; R169-Y252 WeakPolarHBondContact CG-O 3.38Å
170	E	82.1	Confident	72.9	Confident	55 Å²	55	81.7 Å²	81.7	26%	0.257	41%	0.411	S	S	.	.	H	α-helix	trans	-67.6	-40.5	-179.5	-76	163.8	-159.1	0	0	110.4	N163 V166 K167 L172 W173 T174	N163-E170 PolarHBondContact ND2-OE2 3.34Å; N163-E170 VanDerWaalsContact ND2-OE2 3.16Å; V166-E170 HydrophobicContact CG1-CB 3.63Å; K167-E170 PolarHBondContact O-N 3.14Å; E170-L172 VanDerWaalsContact C-N 3.32Å; E170-L172 PolarHBondContact O-N 3.12Å; E170-W173 WeakPolarHBondContact O-CB 3.42Å; E170-W173 PolarHBondContact O-N 3.27Å; E170-T174 WeakPolarHBondContact O-CG2 3.2Å; E170-T174 PolarHBondContact O-N 3.36Å; E170-T174 PolarHBondContact O-OG1 3.25Å
171	K	82.8	Confident	73.7	Confident	118 Å²	118	84 Å²	84	51%	0.513	42%	0.42	S	S	.	.	H	α-helix	trans	-61.1	-40.6	173.1	-168.8	-179.2	-177.6	175	0	112	V166 K167 F168 W173 T174 M175	V166-K171 HydrophobicContact CG1-CB 4.07Å; K167-K171 PolarHBondContact O-N 2.86Å; F168-K171 PolarHBondContact O-N 2.9Å; K171-W173 VanDerWaalsContact C-N 3.35Å; K171-T174 PolarHBondContact O-OG1 3.45Å; K171-M175 HydrophobicContact CD-CE 4.12Å; K171-M175 HydrophobicContact CG-CE 3.88Å; K171-M175 VanDerWaalsContact O-CG 3.29Å; K171-M175 WeakPolarHBondContact O-CG 3.49Å; K171-M175 PolarHBondContact O-N 2.82Å; K171-M175 VanDerWaalsContact O-N 3.14Å
172	L	86.5	Confident	75	Confident	27 Å²	27	82.8 Å²	82.8	14%	0.141	41%	0.41	C	S	.	.	H	α-helix	trans	-66.2	-38.7	176.5	-174.2	64.2	0	0	0	111.5	F168 R169 E170 M175 F176 Y252 A253	F168-L172 HydrophobicContact CE1-CD2 4.3Å; F168-L172 WeakPolarHBondContact O-CB 3.48Å; F168-L172 PolarHBondContact O-N 2.86Å; R169-L172 PolarHBondContact O-N 3.21Å; E170-L172 VanDerWaalsContact C-N 3.32Å; E170-L172 PolarHBondContact O-N 3.12Å; L172-M175 PolarHBondContact O-N 3.09Å; L172-F176 HydrophobicContact CD1-CD2 4.37Å; L172-F176 HydrophobicContact CD1-CE2 3.76Å; L172-F176 HydrophobicContact CD1-CZ 4.41Å; L172-F176 HydrophobicContact CD2-CE2 4.43Å; L172-F176 HydrophobicContact CG-CD2 4.21Å; L172-F176 HydrophobicContact CG-CE2 3.81Å; L172-F176 WeakPolarHBondContact O-CD2 3.45Å; L172-F176 PolarHBondContact O-N 3.36Å; L172-Y252 HydrophobicContact CD2-CD1 4.34Å; L172-A253 HydrophobicContact CB-CB 4.16Å; L172-A253 HydrophobicContact CD2-CB 4.06Å; L172-A253 HydrophobicContact CG-CB 3.99Å
173	W	87.3	Confident	76.5	Confident	64 Å²	64	81.5 Å²	81.5	24%	0.242	41%	0.411	C	S	.	.	H	α-helix	trans	-63.5	-46.4	176.2	-179.3	-104.2	0	0	0	111.9	R169 E170 K171 M175 F176 E177 A253 Y260	R169-W173 PolarHBondContact O-N 3.48Å; E170-W173 WeakPolarHBondContact O-CB 3.42Å; E170-W173 PolarHBondContact O-N 3.27Å; K171-W173 VanDerWaalsContact C-N 3.35Å; W173-M175 VanDerWaalsContact C-N 3.31Å; W173-M175 PolarHBondContact O-N 3.27Å; W173-F176 PolarHBondContact O-N 3Å; W173-F176 VanDerWaalsContact O-N 3.14Å; W173-E177 PolarHBondContact O-N 3.46Å; W173-E177 VanDerWaalsContact O-N 3.15Å; W173-A253 HydrophobicContact CB-CB 3.95Å; W173-A253 HydrophobicContact CE3-CB 4.06Å; W173-Y260 AromaticContact CH2-CD2 3.86Å; W173-Y260 HydrophobicContact CH2-CD2 3.86Å; W173-Y260 AromaticContact CH2-CE2 3.85Å; W173-Y260 HydrophobicContact CH2-CE2 3.85Å; W173-Y260 HydrophobicContact CZ3-CD2 4.12Å; W173-Y260 AromaticContact CZ3-CE2 3.97Å; W173-Y260 HydrophobicContact CZ3-CE2 3.97Å
174	T	80.5	Confident	78.4	Confident	28 Å²	28	81.6 Å²	81.6	17%	0.172	41%	0.414	C	S	.	.	H	α-helix	trans	-64.3	-35.7	178.9	57.8	0	0	0	0	112.3	L160 E170 K171 F176 E177 N178	L160-T174 HydrophobicContact CD2-CG2 4.36Å; E170-T174 WeakPolarHBondContact O-CG2 3.2Å; E170-T174 PolarHBondContact O-N 3.36Å; E170-T174 PolarHBondContact O-OG1 3.25Å; K171-T174 PolarHBondContact O-OG1 3.45Å; T174-F176 VanDerWaalsContact C-N 3.32Å; T174-F176 PolarHBondContact O-N 2.89Å; T174-E177 PolarHBondContact O-N 2.98Å; T174-N178 PolarHBondContact O-N 3.28Å
175	M	85	Confident	80	Confident	35 Å²	35	76 Å²	76	17%	0.172	38%	0.375	C	S	.	.	H	α-helix	trans	-60.2	-38.1	172.9	-72	-173.4	-165.5	0	0	112.9	K171 L172 W173 N182 A185	K171-M175 HydrophobicContact CD-CE 4.12Å; K171-M175 HydrophobicContact CG-CE 3.88Å; K171-M175 VanDerWaalsContact O-CG 3.29Å; K171-M175 WeakPolarHBondContact O-CG 3.49Å; K171-M175 PolarHBondContact O-N 2.82Å; K171-M175 VanDerWaalsContact O-N 3.14Å; L172-M175 PolarHBondContact O-N 3.09Å; W173-M175 VanDerWaalsContact C-N 3.31Å; W173-M175 PolarHBondContact O-N 3.27Å; M175-N182 WeakPolarHBondContact CE-ND2 3.37Å; M175-A185 HydrophobicContact CB-CB 3.85Å; M175-A185 HydrophobicContact CG-CB 4.11Å; M175-A185 WeakPolarHBondContact O-CB 3.45Å
176	F	87.6	Confident	81.6	Confident	35 Å²	35	74.8 Å²	74.8	15%	0.154	36%	0.361	C	S	.	.	H	α-helix	trans	-77.2	-32.6	-179.8	-77.5	-58.9	0	0	0	113.8	L172 W173 T174 I188 E246 S249 R250	L172-F176 HydrophobicContact CD1-CD2 4.37Å; L172-F176 HydrophobicContact CD1-CE2 3.76Å; L172-F176 HydrophobicContact CD1-CZ 4.41Å; L172-F176 HydrophobicContact CD2-CE2 4.43Å; L172-F176 HydrophobicContact CG-CD2 4.21Å; L172-F176 HydrophobicContact CG-CE2 3.81Å; L172-F176 WeakPolarHBondContact O-CD2 3.45Å; L172-F176 PolarHBondContact O-N 3.36Å; W173-F176 PolarHBondContact O-N 3Å; W173-F176 VanDerWaalsContact O-N 3.14Å; T174-F176 VanDerWaalsContact C-N 3.32Å; T174-F176 PolarHBondContact O-N 2.89Å; F176-I188 HydrophobicContact CE1-CG2 3.92Å; F176-E246 HydrophobicContact CE1-CG 4.32Å; F176-S249 VanDerWaalsContact CZ-OG 3.27Å; F176-S249 WeakPolarHBondContact CZ-OG 3.26Å; F176-R250 HydrophobicContact CB-CG 4.36Å; F176-R250 HydrophobicContact CD1-CG 4.13Å; F176-R250 HydrophobicContact CD2-CG 3.69Å; F176-R250 HydrophobicContact CE1-CG 4.33Å; F176-R250 HydrophobicContact CE2-CG 3.9Å; F176-R250 HydrophobicContact CG-CG 3.81Å; F176-R250 HydrophobicContact CZ-CG 4.22Å
177	E	80.6	Confident	83.1	Confident	93 Å²	93	77.8 Å²	77.8	44%	0.435	37%	0.373	S	S	.	.	H	α-helix	trans	-81.5	-41	-177.8	-164	62.6	-150.9	0	0	112	W173 T174 P179	W173-E177 PolarHBondContact O-N 3.46Å; W173-E177 VanDerWaalsContact O-N 3.15Å; T174-E177 PolarHBondContact O-N 2.98Å; E177-P179 WeakPolarHBondContact O-CD 3.41Å
178	N	77.2	Confident	83.7	Confident	52 Å²	52	74.2 Å²	74.2	28%	0.278	36%	0.36	S	S	.	.			trans	-119.8	79.7	-177.2	-68.7	-22	0	0	0	111.2	T174 E180 E181	T174-N178 PolarHBondContact O-N 3.28Å; N178-E180 PolarHBondContact O-N 3.23Å; N178-E180 VanDerWaalsContact O-N 3.11Å; N178-E181 HydrophobicContact CB-CG 3.9Å; N178-E181 WeakPolarHBondContact CB-OE1 3.35Å; N178-E181 PolarHBondContact ND2-OE1 3.42Å; N178-E181 PolarHBondContact O-N 3.46Å
179	P	80.9	Confident	84.1	Confident	27 Å²	27	70.4 Å²	70.4	18%	0.175	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-18.1	-179.4	26.2	-34.5	0	0	0	113.7	E177 Y186 Y189	E177-P179 WeakPolarHBondContact O-CD 3.41Å; P179-Y186 PolarHBondContact O-N 2.94Å; P179-Y189 HydrophobicContact CB-CD2 4.23Å; P179-Y189 HydrophobicContact CB-CG 4.07Å; P179-Y189 HydrophobicContact CG-CD2 4Å; P179-Y189 HydrophobicContact CG-CE2 4.4Å; P179-Y189 HydrophobicContact CG-CG 4.24Å
180	E	74.6	Confident	84.5	Confident	175 Å²	175	73 Å²	73	82%	0.818	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-17.4	-179.3	-59.6	-171.5	170.9	0	0	113.8	N178	N178-E180 PolarHBondContact O-N 3.23Å; N178-E180 VanDerWaalsContact O-N 3.11Å
181	E	72.7	Confident	85	Confident	117 Å²	117	73.7 Å²	73.7	55%	0.547	36%	0.36	S	S	.	.	S	Bend	trans	-76.1	-30.4	-176.1	-73.6	178.5	-167.5	0	0	113.2	N178	N178-E181 HydrophobicContact CB-CG 3.9Å; N178-E181 WeakPolarHBondContact CB-OE1 3.35Å; N178-E181 PolarHBondContact ND2-OE1 3.42Å; N178-E181 PolarHBondContact O-N 3.46Å
182	N	80.4	Confident	85.5	Confident	58 Å²	58	68.4 Å²	68.4	31%	0.31	34%	0.338	S	S	.	.			trans	-138.3	137	-170.8	178.9	26	0	0	0	111.7	M175 T184 A185 Y186	M175-N182 WeakPolarHBondContact CE-ND2 3.37Å; N182-T184 VanDerWaalsContact C-N 3.27Å; N182-T184 PolarHBondContact ND2-OG1 3.23Å; N182-T184 PolarHBondContact O-N 3.33Å; N182-A185 HydrophobicContact CB-CB 4.08Å; N182-A185 WeakPolarHBondContact O-CB 3.33Å; N182-A185 PolarHBondContact O-N 2.97Å; N182-Y186 PolarHBondContact O-N 3.4Å
183	S	85.7	Confident	85.8	Confident	88 Å²	88	67.6 Å²	67.6	62%	0.615	34%	0.336	S	S	*	.	H	α-helix	trans	-55.4	-40	179	-174.9	0	0	0	0	112.7	Y186 M187	S183-Y186 WeakPolarHBondContact O-CB 3.42Å; S183-Y186 PolarHBondContact O-N 2.91Å; S183-M187 WeakPolarHBondContact O-CG 3.31Å; S183-M187 PolarHBondContact O-N 3.02Å
184	T	87.6	Confident	86.2	Confident	70 Å²	70	70.4 Å²	70.4	43%	0.429	35%	0.351	S	S	.	.	H	α-helix	trans	-70.4	-34.5	178.9	68.6	0	0	0	0	112.3	N182 M187 I188	N182-T184 VanDerWaalsContact C-N 3.27Å; N182-T184 PolarHBondContact ND2-OG1 3.23Å; N182-T184 PolarHBondContact O-N 3.33Å; T184-M187 PolarHBondContact O-N 3.02Å; T184-I188 WeakPolarHBondContact O-CG1 3.44Å; T184-I188 PolarHBondContact O-N 3.17Å
185	A	87.9	Confident	86.9	Confident	3 Å²	3	71.3 Å²	71.3	3%	0.025	35%	0.352	C	S	.	.	H	α-helix	trans	-65.9	-43	176.4	0	0	0	0	0	110.9	M175 N182 M187 I188 Y189	M175-A185 HydrophobicContact CB-CB 3.85Å; M175-A185 HydrophobicContact CG-CB 4.11Å; M175-A185 WeakPolarHBondContact O-CB 3.45Å; N182-A185 HydrophobicContact CB-CB 4.08Å; N182-A185 WeakPolarHBondContact O-CB 3.33Å; N182-A185 PolarHBondContact O-N 2.97Å; A185-M187 PolarHBondContact O-N 3.32Å; A185-I188 PolarHBondContact O-N 3.5Å; A185-Y189 WeakPolarHBondContact O-CB 3.46Å; A185-Y189 PolarHBondContact O-N 2.94Å
186	Y	89.2	Confident	87.4	Confident	111 Å²	111	69.8 Å²	69.8	44%	0.435	35%	0.345	S	S	.	.	H	α-helix	trans	-56.9	-47.4	172.1	-165.1	-97.9	0	0	0	111.5	P179 N182 S183 I188 Y189 Y190	P179-Y186 PolarHBondContact O-N 2.94Å; N182-Y186 PolarHBondContact O-N 3.4Å; S183-Y186 WeakPolarHBondContact O-CB 3.42Å; S183-Y186 PolarHBondContact O-N 2.91Å; Y186-I188 PolarHBondContact O-N 2.89Å; Y186-Y189 WeakPolarHBondContact O-CB 3.42Å; Y186-Y189 PolarHBondContact O-N 2.9Å; Y186-Y190 AromaticContact CD1-CD2 3.75Å; Y186-Y190 HydrophobicContact CD1-CD2 3.75Å; Y186-Y190 AromaticContact CD1-CE2 3.78Å; Y186-Y190 HydrophobicContact CD1-CE2 3.78Å; Y186-Y190 HydrophobicContact CD2-CD2 4.48Å; Y186-Y190 AromaticContact CD2-CE2 3.96Å; Y186-Y190 HydrophobicContact CD2-CE2 3.96Å; Y186-Y190 AromaticContact CE1-CD2 3.57Å; Y186-Y190 HydrophobicContact CE1-CD2 3.57Å; Y186-Y190 AromaticContact CE1-CE2 3.25Å; Y186-Y190 HydrophobicContact CE1-CE2 3.25Å; Y186-Y190 HydrophobicContact CE2-CD2 4.36Å; Y186-Y190 AromaticContact CE2-CE2 3.48Å; Y186-Y190 HydrophobicContact CE2-CE2 3.48Å; Y186-Y190 VanDerWaalsContact CE2-CE2 3.48Å; Y186-Y190 HydrophobicContact CG-CD2 4.21Å; Y186-Y190 HydrophobicContact CG-CE2 4.11Å; Y186-Y190 AromaticContact CZ-CD2 3.92Å; Y186-Y190 AromaticContact CZ-CE2 3.09Å; Y186-Y190 AromaticContact CZ-CZ 3.77Å; Y186-Y190 VanDerWaalsContact O-CD2 3.31Å; Y186-Y190 WeakPolarHBondContact O-CD2 3.22Å; Y186-Y190 PolarHBondContact O-N 3.47Å; Y186-Y190 VanDerWaalsContact O-N 3.08Å; Y186-Y190 WeakPolarHBondContact OH-CE2 3.46Å; Y186-Y190 PolarHBondContact OH-OH 3.15Å; Y186-Y190 VanDerWaalsContact OH-OH 3.1Å
187	M	91	Very high	87.7	Confident	121 Å²	121	72.5 Å²	72.5	60%	0.596	36%	0.36	S	S	*	.	H	α-helix	trans	-60.9	-45.8	177.2	-72.3	-63.3	-147.2	0	0	113	S183 T184 A185 Y189 Y190 T191	S183-M187 WeakPolarHBondContact O-CG 3.31Å; S183-M187 PolarHBondContact O-N 3.02Å; T184-M187 PolarHBondContact O-N 3.02Å; A185-M187 PolarHBondContact O-N 3.32Å; M187-Y189 VanDerWaalsContact C-N 3.27Å; M187-Y189 PolarHBondContact O-N 3.28Å; M187-Y190 PolarHBondContact O-N 3.16Å; M187-T191 WeakPolarHBondContact O-CB 3.45Å; M187-T191 PolarHBondContact O-N 3.36Å; M187-T191 PolarHBondContact O-OG1 2.89Å
188	I	90.8	Very high	88.5	Confident	65 Å²	65	69.9 Å²	69.9	33%	0.333	35%	0.35	S	S	.	.	H	α-helix	trans	-59.1	-42.9	177.2	-68.4	165.7	0	0	0	110.3	F176 T184 A185 Y186 T191 T192	F176-I188 HydrophobicContact CE1-CG2 3.92Å; T184-I188 WeakPolarHBondContact O-CG1 3.44Å; T184-I188 PolarHBondContact O-N 3.17Å; A185-I188 PolarHBondContact O-N 3.5Å; Y186-I188 PolarHBondContact O-N 2.89Å; I188-T191 PolarHBondContact O-N 2.97Å; I188-T192 HydrophobicContact CG2-CG2 4.33Å; I188-T192 WeakPolarHBondContact O-CB 3.31Å; I188-T192 VanDerWaalsContact O-CG2 3.28Å; I188-T192 WeakPolarHBondContact O-CG2 3.17Å; I188-T192 PolarHBondContact O-N 3.34Å; I188-T192 PolarHBondContact O-OG1 3.48Å
189	Y	91.5	Very high	89.3	Confident	67 Å²	67	67.4 Å²	67.4	26%	0.263	34%	0.337	S	S	.	.	H	α-helix	trans	-61.2	-44	178.8	176.4	-92.2	0	0	0	113.2	P179 A185 Y186 M187 T192 G193 H309	P179-Y189 HydrophobicContact CB-CD2 4.23Å; P179-Y189 HydrophobicContact CB-CG 4.07Å; P179-Y189 HydrophobicContact CG-CD2 4Å; P179-Y189 HydrophobicContact CG-CE2 4.4Å; P179-Y189 HydrophobicContact CG-CG 4.24Å; A185-Y189 WeakPolarHBondContact O-CB 3.46Å; A185-Y189 PolarHBondContact O-N 2.94Å; Y186-Y189 WeakPolarHBondContact O-CB 3.42Å; Y186-Y189 PolarHBondContact O-N 2.9Å; M187-Y189 VanDerWaalsContact C-N 3.27Å; M187-Y189 PolarHBondContact O-N 3.28Å; Y189-T192 PolarHBondContact O-OG1 3.48Å; Y189-G193 PolarHBondContact O-N 2.9Å; Y189-G193 VanDerWaalsContact O-N 3.11Å; Y189-H309 AromaticContact CD2-CE1 3.86Å; Y189-H309 AromaticContact CD2-ND1 3.38Å; Y189-H309 WeakPolarHBondContact CD2-ND1 3.3Å; Y189-H309 HydrophobicContact CE2-CB 4.14Å; Y189-H309 AromaticContact CE2-CG 3.97Å; Y189-H309 AromaticContact CE2-ND1 3.17Å; Y189-H309 WeakPolarHBondContact CE2-ND1 3.33Å; Y189-H309 AromaticContact CG-ND1 3.91Å; Y189-H309 AromaticContact CZ-ND1 3.53Å; Y189-H309 PolarHBondContact O-CE1 3.18Å; Y189-H309 VanDerWaalsContact O-CE1 3.25Å; Y189-H309 PolarHBondContact O-ND1 2.93Å; Y189-H309 WeakPolarHBondContact OH-CA 3.4Å; Y189-H309 PolarHBondContact OH-O 3.11Å
190	Y	92.2	Very high	89.9	Confident	124 Å²	124	67.4 Å²	67.4	49%	0.486	34%	0.336	S	S	.	.	H	α-helix	trans	-73.2	-38.7	177	-81.4	-80.8	0	0	0	113	Y186 M187 T192 G193 F194	Y186-Y190 AromaticContact CD1-CD2 3.75Å; Y186-Y190 HydrophobicContact CD1-CD2 3.75Å; Y186-Y190 AromaticContact CD1-CE2 3.78Å; Y186-Y190 HydrophobicContact CD1-CE2 3.78Å; Y186-Y190 HydrophobicContact CD2-CD2 4.48Å; Y186-Y190 AromaticContact CD2-CE2 3.96Å; Y186-Y190 HydrophobicContact CD2-CE2 3.96Å; Y186-Y190 AromaticContact CE1-CD2 3.57Å; Y186-Y190 HydrophobicContact CE1-CD2 3.57Å; Y186-Y190 AromaticContact CE1-CE2 3.25Å; Y186-Y190 HydrophobicContact CE1-CE2 3.25Å; Y186-Y190 HydrophobicContact CE2-CD2 4.36Å; Y186-Y190 AromaticContact CE2-CE2 3.48Å; Y186-Y190 HydrophobicContact CE2-CE2 3.48Å; Y186-Y190 VanDerWaalsContact CE2-CE2 3.48Å; Y186-Y190 HydrophobicContact CG-CD2 4.21Å; Y186-Y190 HydrophobicContact CG-CE2 4.11Å; Y186-Y190 AromaticContact CZ-CD2 3.92Å; Y186-Y190 AromaticContact CZ-CE2 3.09Å; Y186-Y190 AromaticContact CZ-CZ 3.77Å; Y186-Y190 VanDerWaalsContact O-CD2 3.31Å; Y186-Y190 WeakPolarHBondContact O-CD2 3.22Å; Y186-Y190 PolarHBondContact O-N 3.47Å; Y186-Y190 VanDerWaalsContact O-N 3.08Å; Y186-Y190 WeakPolarHBondContact OH-CE2 3.46Å; Y186-Y190 PolarHBondContact OH-OH 3.15Å; Y186-Y190 VanDerWaalsContact OH-OH 3.1Å; M187-Y190 PolarHBondContact O-N 3.16Å; Y190-T192 PolarHBondContact O-N 3.43Å; Y190-G193 PolarHBondContact O-N 3.01Å; Y190-F194 WeakPolarHBondContact O-CB 3.38Å; Y190-F194 PolarHBondContact O-N 3.02Å
191	T	92.9	Very high	90.9	Very high	69 Å²	69	63.7 Å²	63.7	42%	0.423	32%	0.322	S	S	.	.	H	α-helix	trans	-60.2	-47.5	176.1	-63	0	0	0	0	110.7	M187 I188 G193 F194 F195	M187-T191 WeakPolarHBondContact O-CB 3.45Å; M187-T191 PolarHBondContact O-N 3.36Å; M187-T191 PolarHBondContact O-OG1 2.89Å; I188-T191 PolarHBondContact O-N 2.97Å; T191-G193 PolarHBondContact O-N 2.9Å; T191-F194 WeakPolarHBondContact O-CB 3.46Å; T191-F194 PolarHBondContact O-N 3.21Å; T191-F195 HydrophobicContact CG2-CD2 3.91Å; T191-F195 HydrophobicContact CG2-CE2 3.88Å; T191-F195 VanDerWaalsContact O-CD2 3.27Å; T191-F195 WeakPolarHBondContact O-CD2 3.47Å; T191-F195 PolarHBondContact O-N 3.34Å
192	T	92.6	Very high	91.9	Very high	7 Å²	7	58.7 Å²	58.7	4%	0.043	30%	0.3	C	S	.	.	H	α-helix	trans	-63.2	-41	177.3	48.5	0	0	0	0	111.8	I188 Y189 Y190 F194 F195 I196 E246 H309	I188-T192 HydrophobicContact CG2-CG2 4.33Å; I188-T192 WeakPolarHBondContact O-CB 3.31Å; I188-T192 VanDerWaalsContact O-CG2 3.28Å; I188-T192 WeakPolarHBondContact O-CG2 3.17Å; I188-T192 PolarHBondContact O-N 3.34Å; I188-T192 PolarHBondContact O-OG1 3.48Å; Y189-T192 PolarHBondContact O-OG1 3.48Å; Y190-T192 PolarHBondContact O-N 3.43Å; T192-F194 PolarHBondContact O-N 2.9Å; T192-F195 PolarHBondContact O-N 2.94Å; T192-I196 WeakPolarHBondContact O-CG1 3.45Å; T192-I196 PolarHBondContact O-N 3.35Å; T192-I196 VanDerWaalsContact O-N 3.07Å; T192-E246 HydrophobicContact CG2-CG 4.24Å; T192-E246 WeakPolarHBondContact CG2-OE2 3.48Å; T192-H309 PolarHBondContact OG1-CE1 3.07Å
193	G	93.8	Very high	92.4	Very high	11 Å²	11	57.2 Å²	57.2	11%	0.113	29%	0.292	C	S	.	.	H	α-helix	trans	-59	-43	171.7	0	0	0	0	0	113.9	Y189 Y190 T191 I196 I197	Y189-G193 PolarHBondContact O-N 2.9Å; Y189-G193 VanDerWaalsContact O-N 3.11Å; Y190-G193 PolarHBondContact O-N 3.01Å; T191-G193 PolarHBondContact O-N 2.9Å; G193-I196 WeakPolarHBondContact O-CB 3.3Å; G193-I196 PolarHBondContact O-N 3.4Å; G193-I197 PolarHBondContact O-N 3.05Å
194	F	95.2	Very high	92.7	Very high	123 Å²	123	58 Å²	58	54%	0.539	29%	0.287	S	S	.	.	H	α-helix	trans	-60.8	-47.3	176	170.8	-99.7	0	0	0	111.8	Y190 T191 T192 I196 I197 V198	Y190-F194 WeakPolarHBondContact O-CB 3.38Å; Y190-F194 PolarHBondContact O-N 3.02Å; T191-F194 WeakPolarHBondContact O-CB 3.46Å; T191-F194 PolarHBondContact O-N 3.21Å; T192-F194 PolarHBondContact O-N 2.9Å; F194-I196 VanDerWaalsContact C-N 3.28Å; F194-I196 PolarHBondContact O-N 3.15Å; F194-I197 WeakPolarHBondContact O-CB 3.46Å; F194-I197 PolarHBondContact O-N 2.93Å; F194-I197 VanDerWaalsContact O-N 3.12Å; F194-V198 HydrophobicContact CD1-CG2 4.21Å; F194-V198 HydrophobicContact CD2-CG2 4.46Å; F194-V198 HydrophobicContact CE1-CG2 3.75Å; F194-V198 HydrophobicContact CE2-CG2 4.03Å; F194-V198 HydrophobicContact CZ-CG2 3.65Å; F194-V198 WeakPolarHBondContact O-CG2 3.38Å; F194-V198 PolarHBondContact O-N 3.11Å
195	F	95.6	Very high	93	Very high	46 Å²	46	56.3 Å²	56.3	20%	0.202	28%	0.28	C	S	.	.	H	α-helix	trans	-66.6	-27.5	178	-82.1	-78.7	0	0	0	113.1	T191 T192 S199 I242 F243	T191-F195 HydrophobicContact CG2-CD2 3.91Å; T191-F195 HydrophobicContact CG2-CE2 3.88Å; T191-F195 VanDerWaalsContact O-CD2 3.27Å; T191-F195 WeakPolarHBondContact O-CD2 3.47Å; T191-F195 PolarHBondContact O-N 3.34Å; T192-F195 PolarHBondContact O-N 2.94Å; F195-S199 VanDerWaalsContact O-CB 3.29Å; F195-S199 WeakPolarHBondContact O-CB 3.25Å; F195-S199 PolarHBondContact O-N 3.35Å; F195-S199 PolarHBondContact O-OG 3.43Å; F195-I242 HydrophobicContact CD1-CD1 3.74Å; F195-I242 HydrophobicContact CD2-CD1 3.52Å; F195-I242 HydrophobicContact CD2-CG2 4.47Å; F195-I242 HydrophobicContact CE1-CD1 3.49Å; F195-I242 VanDerWaalsContact CE1-CD1 3.49Å; F195-I242 HydrophobicContact CE2-CD1 3.29Å; F195-I242 HydrophobicContact CG-CD1 3.76Å; F195-I242 HydrophobicContact CZ-CD1 3.26Å; F195-F243 HydrophobicContact CB-CE1 3.95Å; F195-F243 HydrophobicContact CB-CZ 4.23Å
196	I	94.9	Very high	93.1	Very high	3 Å²	3	57.4 Å²	57.4	2%	0.015	29%	0.285	C	S	.	.	H	α-helix	trans	-62.3	-48.8	170	-67	164.2	0	0	0	109.9	T192 G193 F194 V198 S199 V200 F243 K305 F306 H309	T192-I196 WeakPolarHBondContact O-CG1 3.45Å; T192-I196 PolarHBondContact O-N 3.35Å; T192-I196 VanDerWaalsContact O-N 3.07Å; G193-I196 WeakPolarHBondContact O-CB 3.3Å; G193-I196 PolarHBondContact O-N 3.4Å; F194-I196 VanDerWaalsContact C-N 3.28Å; F194-I196 PolarHBondContact O-N 3.15Å; I196-V198 PolarHBondContact O-N 3.12Å; I196-S199 PolarHBondContact O-N 2.93Å; I196-S199 PolarHBondContact O-OG 2.87Å; I196-V200 HydrophobicContact CG2-CG2 4.46Å; I196-V200 WeakPolarHBondContact O-CG2 3.17Å; I196-V200 PolarHBondContact O-N 2.97Å; I196-F243 HydrophobicContact CB-CZ 4.38Å; I196-F243 HydrophobicContact CG1-CE1 3.97Å; I196-F243 HydrophobicContact CG1-CZ 3.63Å; I196-K305 HydrophobicContact CD1-CB 3.89Å; I196-K305 HydrophobicContact CD1-CD 4Å; I196-K305 HydrophobicContact CD1-CG 3.7Å; I196-K305 HydrophobicContact CG1-CB 4.26Å; I196-K305 HydrophobicContact CG1-CD 4.05Å; I196-K305 HydrophobicContact CG1-CG 4.24Å; I196-F306 HydrophobicContact CG2-CB 4.37Å; I196-H309 WeakPolarHBondContact CD1-CD2 3.28Å; I196-H309 WeakPolarHBondContact CD1-NE2 3.4Å
197	I	95.3	Very high	93.2	Very high	92 Å²	92	57.1 Å²	57.1	47%	0.472	29%	0.294	S	S	.	.	H	α-helix	trans	-60.8	-47.9	178.6	-63.5	169.1	0	0	0	110.5	G193 F194 S199 V200 L201	G193-I197 PolarHBondContact O-N 3.05Å; F194-I197 WeakPolarHBondContact O-CB 3.46Å; F194-I197 PolarHBondContact O-N 2.93Å; F194-I197 VanDerWaalsContact O-N 3.12Å; I197-S199 VanDerWaalsContact C-N 3.3Å; I197-S199 PolarHBondContact O-N 3.14Å; I197-V200 PolarHBondContact O-N 3.37Å; I197-L201 HydrophobicContact CG2-CD1 3.76Å; I197-L201 HydrophobicContact CG2-CG 4.16Å; I197-L201 WeakPolarHBondContact O-CB 3.29Å; I197-L201 WeakPolarHBondContact O-CG 3.42Å; I197-L201 PolarHBondContact O-N 3.34Å
198	V	96	Very high	93.2	Very high	38 Å²	38	55.4 Å²	55.4	23%	0.23	29%	0.287	C	S	.	.	H	α-helix	trans	-56.9	-44.4	176.2	172.7	0	0	0	0	111	F194 I196 V200 L201 S202 I235	F194-V198 HydrophobicContact CD1-CG2 4.21Å; F194-V198 HydrophobicContact CD2-CG2 4.46Å; F194-V198 HydrophobicContact CE1-CG2 3.75Å; F194-V198 HydrophobicContact CE2-CG2 4.03Å; F194-V198 HydrophobicContact CZ-CG2 3.65Å; F194-V198 WeakPolarHBondContact O-CG2 3.38Å; F194-V198 PolarHBondContact O-N 3.11Å; I196-V198 PolarHBondContact O-N 3.12Å; V198-V200 VanDerWaalsContact C-N 3.34Å; V198-V200 PolarHBondContact O-N 3.46Å; V198-L201 PolarHBondContact O-N 2.94Å; V198-S202 WeakPolarHBondContact O-CB 3.47Å; V198-S202 PolarHBondContact O-N 2.93Å; V198-I235 HydrophobicContact CG1-CG2 3.8Å
199	S	94.3	Very high	93.1	Very high	1 Å²	1	56 Å²	56	1%	0.007	30%	0.295	C	S	.	.	H	α-helix	trans	-63.4	-38.8	179.2	77.3	0	0	0	0	112.7	F195 I196 I197 N203	F195-S199 VanDerWaalsContact O-CB 3.29Å; F195-S199 WeakPolarHBondContact O-CB 3.25Å; F195-S199 PolarHBondContact O-N 3.35Å; F195-S199 PolarHBondContact O-OG 3.43Å; I196-S199 PolarHBondContact O-N 2.93Å; I196-S199 PolarHBondContact O-OG 2.87Å; I197-S199 VanDerWaalsContact C-N 3.3Å; I197-S199 PolarHBondContact O-N 3.14Å; S199-N203 PolarHBondContact O-N 3.4Å; S199-N203 PolarHBondContact O-ND2 3.36Å; S199-N203 PolarHBondContact O-OD1 2.86Å
200	V	93.7	Very high	92.8	Very high	26 Å²	26	55.5 Å²	55.5	16%	0.158	29%	0.293	C	S	.	.	H	α-helix	trans	-73.4	-42.5	-179.8	168.1	0	0	0	0	111	I196 I197 V198 N203 M204 I303	I196-V200 HydrophobicContact CG2-CG2 4.46Å; I196-V200 WeakPolarHBondContact O-CG2 3.17Å; I196-V200 PolarHBondContact O-N 2.97Å; I197-V200 PolarHBondContact O-N 3.37Å; V198-V200 VanDerWaalsContact C-N 3.34Å; V198-V200 PolarHBondContact O-N 3.46Å; V200-N203 PolarHBondContact O-N 3.31Å; V200-M204 HydrophobicContact CG1-CE 3.37Å; V200-M204 PolarHBondContact O-N 3.02Å; V200-M204 VanDerWaalsContact O-N 3.08Å; V200-I303 HydrophobicContact CG1-CD1 4.38Å; V200-I303 HydrophobicContact CG2-CB 4.03Å; V200-I303 HydrophobicContact CG2-CD1 4.47Å; V200-I303 HydrophobicContact CG2-CG1 4.06Å
201	L	94.9	Very high	92.2	Very high	98 Å²	98	55 Å²	55	51%	0.513	30%	0.299	S	S	.	.	H	α-helix	trans	-65.7	-38.9	174.1	-68.2	177	0	0	0	111.8	I197 V198 M204 A205	I197-L201 HydrophobicContact CG2-CD1 3.76Å; I197-L201 HydrophobicContact CG2-CG 4.16Å; I197-L201 WeakPolarHBondContact O-CB 3.29Å; I197-L201 WeakPolarHBondContact O-CG 3.42Å; I197-L201 PolarHBondContact O-N 3.34Å; V198-L201 PolarHBondContact O-N 2.94Å; L201-M204 HydrophobicContact CD2-CE 4.04Å; L201-M204 PolarHBondContact O-N 3.49Å; L201-A205 WeakPolarHBondContact O-CB 3.46Å; L201-A205 PolarHBondContact O-N 2.94Å
202	S	93.8	Very high	91.3	Very high	12 Å²	12	53.7 Å²	53.7	8%	0.084	29%	0.289	C	S	.	.	H	α-helix	trans	-59.6	-46.8	173.7	-177.2	0	0	0	0	111.1	V198 M204 A205 E206 F232	V198-S202 WeakPolarHBondContact O-CB 3.47Å; V198-S202 PolarHBondContact O-N 2.93Å; S202-M204 VanDerWaalsContact C-N 3.3Å; S202-M204 PolarHBondContact O-N 2.89Å; S202-A205 PolarHBondContact O-N 3.3Å; S202-E206 PolarHBondContact O-N 3.46Å; S202-F232 WeakPolarHBondContact O-CE1 3.24Å; S202-F232 WeakPolarHBondContact OG-CD1 3.26Å
203	N	91.5	Very high	90.3	Very high	27 Å²	27	59.5 Å²	59.5	14%	0.144	32%	0.32	C	S	.	.	H	α-helix	trans	-61.1	-37.7	176.5	-70.1	-19	0	0	0	112.6	S199 V200 R299	S199-N203 PolarHBondContact O-N 3.4Å; S199-N203 PolarHBondContact O-ND2 3.36Å; S199-N203 PolarHBondContact O-OD1 2.86Å; V200-N203 PolarHBondContact O-N 3.31Å; N203-R299 PolarHBondContact ND2-O 2.76Å
204	M	92.4	Very high	89.1	Confident	105 Å²	105	67.9 Å²	67.9	52%	0.517	35%	0.353	S	S	.	.	H	α-helix	trans	-69.6	-44.1	175	-73.7	-173.8	-107.3	0	0	111.9	V200 L201 S202 E206 T207	V200-M204 HydrophobicContact CG1-CE 3.37Å; V200-M204 PolarHBondContact O-N 3.02Å; V200-M204 VanDerWaalsContact O-N 3.08Å; L201-M204 HydrophobicContact CD2-CE 4.04Å; L201-M204 PolarHBondContact O-N 3.49Å; S202-M204 VanDerWaalsContact C-N 3.3Å; S202-M204 PolarHBondContact O-N 2.89Å; M204-E206 VanDerWaalsContact C-N 3.29Å; M204-E206 PolarHBondContact O-N 2.9Å; M204-T207 PolarHBondContact O-N 3.39Å; M204-T207 PolarHBondContact O-OG1 3.46Å
205	A	93.6	Very high	87.7	Confident	34 Å²	34	66.5 Å²	66.5	28%	0.281	35%	0.351	S	S	.	.	H	α-helix	trans	-67.2	-30	-178.8	0	0	0	0	0	112.8	L201 S202 T207 I208 F232	L201-A205 WeakPolarHBondContact O-CB 3.46Å; L201-A205 PolarHBondContact O-N 2.94Å; S202-A205 PolarHBondContact O-N 3.3Å; A205-T207 PolarHBondContact O-N 2.92Å; A205-I208 PolarHBondContact O-N 2.88Å; A205-F232 HydrophobicContact CB-CE1 3.91Å; A205-F232 HydrophobicContact CB-CZ 3.9Å
206	E	90.7	Very high	86.3	Confident	26 Å²	26	71 Å²	71	12%	0.121	37%	0.371	C	S	.	.	H	α-helix	trans	-59.9	-31.8	176.3	-166.5	-178.1	164	0	0	112.1	S202 M204 T223 G225 F232 R296 R299	S202-E206 PolarHBondContact O-N 3.46Å; M204-E206 VanDerWaalsContact C-N 3.29Å; M204-E206 PolarHBondContact O-N 2.9Å; E206-T223 VanDerWaalsContact O-CB 3.29Å; E206-T223 WeakPolarHBondContact O-CB 3.28Å; E206-T223 PolarHBondContact O-OG1 3.37Å; E206-G225 PolarHBondContact O-N 2.98Å; E206-F232 HydrophobicContact CB-CD1 4.29Å; E206-F232 HydrophobicContact CB-CE1 4.2Å; E206-R296 IonicContact OE1-CZ 3.9Å; E206-R296 IonicContact OE1-NH1 3.84Å; E206-R296 PolarHBondContact OE1-NH1 3.31Å; E206-R299 VanDerWaalsContact CD-NH1 3.28Å; E206-R299 IonicContact OE1-NH1 2.61Å; E206-R299 PolarHBondContact OE1-NH1 3.38Å; E206-R299 IonicContact OE2-CZ 2.89Å; E206-R299 IonicContact OE2-NH1 3.67Å; E206-R299 PolarHBondContact OE2-NH1 3.5Å
207	T	89.5	Confident	85	Confident	104 Å²	104	78 Å²	78	64%	0.638	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	-7.6	-174.9	64	0	0	0	0	114.6	M204 A205	M204-T207 PolarHBondContact O-N 3.39Å; M204-T207 PolarHBondContact O-OG1 3.46Å; A205-T207 PolarHBondContact O-N 2.92Å
208	I	91.2	Very high	83.9	Confident	85 Å²	85	77.4 Å²	77.4	44%	0.436	41%	0.408	S	S	.	.	S	Bend	trans	-66.8	129.5	-179.6	-60.7	176.3	0	0	0	109.2	A205 Y210 T223 Y224	A205-I208 PolarHBondContact O-N 2.88Å; I208-Y210 PolarHBondContact O-N 3.25Å; I208-T223 WeakPolarHBondContact O-CA 3.28Å; I208-Y224 HydrophobicContact CB-CD2 3.85Å; I208-Y224 HydrophobicContact CB-CE2 4.42Å; I208-Y224 HydrophobicContact CG2-CD2 3.7Å; I208-Y224 HydrophobicContact CG2-CE2 3.76Å; I208-Y224 WeakPolarHBondContact O-CD2 3.31Å; I208-Y224 PolarHBondContact O-N 3.01Å
209	P	88.4	Confident	82.9	Confident	77 Å²	77	84.6 Å²	84.6	50%	0.5	43%	0.433	S	S	.	.	B	Isolated β-bridge	trans	-67.4	132.7	176.6	27.6	-33.8	0	0	0	110.4	L221	P209-L221 HydrophobicContact CB-CD1 4.5Å
210	Y	85.8	Confident	81.9	Confident	57 Å²	57	90.3 Å²	90.3	22%	0.224	47%	0.47	C	S	.	.			trans	-89.7	108	173.6	178.5	-100	0	0	0	108.8	I208 D212 R222 Y224 K227	I208-Y210 PolarHBondContact O-N 3.25Å; Y210-D212 HydrophobicContact CD1-CB 4.1Å; Y210-D212 HydrophobicContact CE1-CB 3.87Å; Y210-D212 PolarHBondContact O-N 3.18Å; Y210-R222 PolarHBondContact N-O 2.9Å; Y210-Y224 HydrophobicContact CD2-CD1 4.21Å; Y210-Y224 AromaticContact CD2-CE1 3.77Å; Y210-Y224 HydrophobicContact CD2-CE1 3.77Å; Y210-Y224 HydrophobicContact CD2-CE2 4.17Å; Y210-Y224 AromaticContact CD2-CZ 3.76Å; Y210-Y224 HydrophobicContact CE2-CE1 4.33Å; Y210-K227 HydrophobicContact CD1-CD 4.13Å; Y210-K227 HydrophobicContact CD2-CD 3.82Å; Y210-K227 HydrophobicContact CE1-CD 3.9Å; Y210-K227 HydrophobicContact CE2-CD 3.57Å; Y210-K227 VanDerWaalsContact CE2-NZ 3.25Å; Y210-K227 HydrophobicContact CG-CD 4.1Å; Y210-K227 PolarHBondContact OH-NZ 3.33Å
211	N	79.9	Confident	81.2	Confident	114 Å²	114	93.7 Å²	93.7	61%	0.61	49%	0.486	S	S	*	.			trans	-73.1	95.5	177.9	-170.5	17.5	0	0	0	110
212	D	74.8	Confident	80.6	Confident	41 Å²	41	95 Å²	95	22%	0.219	48%	0.484	C	S	.	.			trans	-90.2	116.4	167.7	-162.8	-18.9	0	0	0	108.9	Y210 K214 L215	Y210-D212 HydrophobicContact CD1-CB 4.1Å; Y210-D212 HydrophobicContact CE1-CB 3.87Å; Y210-D212 PolarHBondContact O-N 3.18Å; D212-K214 PolarHBondContact O-N 3.48Å; D212-K214 PolarHBondContact OD1-N 3.1Å; D212-L215 PolarHBondContact O-N 2.83Å; D212-L215 VanDerWaalsContact O-N 3.08Å
213	N	70.6	Confident	80.4	Confident	130 Å²	130	95.7 Å²	95.7	70%	0.695	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-18.7	177.3	-73.8	-19.3	0	0	0	112.8
214	K	70	Confident	80.4	Confident	187 Å²	187	98.7 Å²	98.7	81%	0.813	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	-15.3	-179.2	-62	-174.8	179.7	-176.7	0	115.4	D212	D212-K214 PolarHBondContact O-N 3.48Å; D212-K214 PolarHBondContact OD1-N 3.1Å
215	L	65.4	Low	80.2	Confident	94 Å²	94	94 Å²	94	49%	0.492	48%	0.476	S	S	.	.			trans	-131.4	33.8	-169.6	-90.6	101.6	0	0	0	114.6	D212 N217 V218	D212-L215 PolarHBondContact O-N 2.83Å; D212-L215 VanDerWaalsContact O-N 3.08Å; L215-N217 PolarHBondContact O-N 3.41Å; L215-V218 HydrophobicContact CD2-CB 4.05Å; L215-V218 HydrophobicContact CD2-CG1 4.48Å; L215-V218 HydrophobicContact CD2-CG2 3.8Å; L215-V218 HydrophobicContact CG-CG2 4.32Å; L215-V218 PolarHBondContact O-N 3.49Å
216	K	65.2	Low	79.9	Confident	141 Å²	141	96.2 Å²	96.2	61%	0.613	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-17.9	-176.4	-76.8	-176.1	176.2	179.4	0	116.4
217	N	68.7	Low	79.8	Confident	148 Å²	148	98.3 Å²	98.3	79%	0.791	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.3	12.4	-172.5	-62.4	-21.6	0	0	0	114.6	L215	L215-N217 PolarHBondContact O-N 3.41Å
218	V	72.3	Confident	80	Confident	80 Å²	80	97.8 Å²	97.8	49%	0.485	48%	0.479	S	S	.	.	P	Polyproline II helix	trans	-98.4	119.3	177.2	-178	0	0	0	0	109.7	L215 P220	L215-V218 HydrophobicContact CD2-CB 4.05Å; L215-V218 HydrophobicContact CD2-CG1 4.48Å; L215-V218 HydrophobicContact CD2-CG2 3.8Å; L215-V218 HydrophobicContact CG-CG2 4.32Å; L215-V218 PolarHBondContact O-N 3.49Å; V218-P220 CarbonylContact O-C 3.56Å
219	Y	73.3	Confident	79.9	Confident	189 Å²	189	96.1 Å²	96.1	74%	0.741	48%	0.478	S	S	*	.	S	Bend	trans	-100.7	138.2	170.8	-71.5	-82.9	0	0	0	110
220	P	74.5	Confident	80.1	Confident	122 Å²	122	99.3 Å²	99.3	79%	0.792	49%	0.491	S	S	*	.	S	Bend	cis	-71.5	150.7	-0.8	29.9	-35.2	0	0	0	113.5	V218 R222	V218-P220 CarbonylContact O-C 3.56Å; P220-R222 PolarHBondContact O-N 2.77Å
221	L	78.2	Confident	80.5	Confident	96 Å²	96	101.2 Å²	101.2	50%	0.503	50%	0.504	S	S	.	.	P	Polyproline II helix	trans	-59.9	128.2	176	-70.6	168	0	0	0	110	P209 T223	P209-L221 HydrophobicContact CB-CD1 4.5Å; L221-T223 PolarHBondContact O-N 2.77Å
222	R	83.5	Confident	81.1	Confident	125 Å²	125	97.2 Å²	97.2	47%	0.472	48%	0.481	S	S	.	.	P	Polyproline II helix	trans	-62.9	132.1	174.3	-170.3	176.7	-173	-179.8	5.2	109.8	Y210 P220 D226	Y210-R222 PolarHBondContact N-O 2.9Å; P220-R222 PolarHBondContact O-N 2.77Å; R222-D226 HydrophobicContact CG-CB 4.11Å
223	T	88.9	Confident	81.9	Confident	27 Å²	27	100.7 Å²	100.7	17%	0.166	50%	0.495	C	S	.	.	B	Isolated β-bridge	trans	-102.9	166.5	-179.9	63.9	0	0	0	0	112.4	E206 I208 L221 G225 D226 K227	E206-T223 VanDerWaalsContact O-CB 3.29Å; E206-T223 WeakPolarHBondContact O-CB 3.28Å; E206-T223 PolarHBondContact O-OG1 3.37Å; I208-T223 WeakPolarHBondContact O-CA 3.28Å; L221-T223 PolarHBondContact O-N 2.77Å; T223-G225 PolarHBondContact O-N 3.4Å; T223-G225 PolarHBondContact OG1-N 3.06Å; T223-D226 PolarHBondContact N-OD2 3.45Å; T223-D226 PolarHBondContact O-N 2.88Å; T223-D226 VanDerWaalsContact OG1-CG 3.24Å; T223-D226 PolarHBondContact OG1-N 2.85Å; T223-D226 PolarHBondContact OG1-OD2 2.91Å; T223-K227 PolarHBondContact O-N 3.31Å; T223-K227 VanDerWaalsContact O-N 3.16Å
224	Y	90.8	Very high	83.1	Confident	91 Å²	91	98.4 Å²	98.4	36%	0.357	49%	0.488	S	S	.	.	H	α-helix	trans	-60.4	-31.2	167.4	-81.1	-88.3	0	0	0	111.9	I208 Y210 D226 K227 Y228 F232	I208-Y224 HydrophobicContact CB-CD2 3.85Å; I208-Y224 HydrophobicContact CB-CE2 4.42Å; I208-Y224 HydrophobicContact CG2-CD2 3.7Å; I208-Y224 HydrophobicContact CG2-CE2 3.76Å; I208-Y224 WeakPolarHBondContact O-CD2 3.31Å; I208-Y224 PolarHBondContact O-N 3.01Å; Y210-Y224 HydrophobicContact CD2-CD1 4.21Å; Y210-Y224 AromaticContact CD2-CE1 3.77Å; Y210-Y224 HydrophobicContact CD2-CE1 3.77Å; Y210-Y224 HydrophobicContact CD2-CE2 4.17Å; Y210-Y224 AromaticContact CD2-CZ 3.76Å; Y210-Y224 HydrophobicContact CE2-CE1 4.33Å; Y224-D226 VanDerWaalsContact C-N 3.33Å; Y224-D226 PolarHBondContact O-N 2.95Å; Y224-K227 PolarHBondContact O-N 3.34Å; Y224-Y228 AromaticContact CD1-CD2 3.9Å; Y224-Y228 HydrophobicContact CD1-CD2 3.9Å; Y224-Y228 AromaticContact CD1-CE2 3.75Å; Y224-Y228 HydrophobicContact CD1-CE2 3.75Å; Y224-Y228 HydrophobicContact CE1-CE2 4.16Å; Y224-Y228 PolarHBondContact O-N 3.23Å; Y224-F232 WeakPolarHBondContact O-CE2 3.27Å
225	G	89.2	Confident	84.3	Confident	5 Å²	5	92.2 Å²	92.2	5%	0.052	46%	0.463	C	S	.	.	H	α-helix	trans	-56.6	-44.1	171.9	0	0	0	0	0	112.9	E206 T223 A229	E206-G225 PolarHBondContact O-N 2.98Å; T223-G225 PolarHBondContact O-N 3.4Å; T223-G225 PolarHBondContact OG1-N 3.06Å; G225-A229 WeakPolarHBondContact O-CA 3.48Å; G225-A229 WeakPolarHBondContact O-CB 3.29Å; G225-A229 PolarHBondContact O-N 3.45Å
226	D	86.9	Confident	85.6	Confident	81 Å²	81	88.3 Å²	88.3	43%	0.433	44%	0.443	S	S	.	.	H	α-helix	trans	-73.3	-37.7	179.9	-53.9	-47.8	0	0	0	112.3	R222 T223 Y224	R222-D226 HydrophobicContact CG-CB 4.11Å; T223-D226 PolarHBondContact N-OD2 3.45Å; T223-D226 PolarHBondContact O-N 2.88Å; T223-D226 VanDerWaalsContact OG1-CG 3.24Å; T223-D226 PolarHBondContact OG1-N 2.85Å; T223-D226 PolarHBondContact OG1-OD2 2.91Å; Y224-D226 VanDerWaalsContact C-N 3.33Å; Y224-D226 PolarHBondContact O-N 2.95Å
227	K	88.1	Confident	87	Confident	70 Å²	70	83.5 Å²	83.5	30%	0.304	43%	0.425	S	S	.	.	H	α-helix	trans	-70.6	-41.3	179.8	-175.4	177.1	177.4	-164.3	0	112.1	Y210 T223 Y224	Y210-K227 HydrophobicContact CD1-CD 4.13Å; Y210-K227 HydrophobicContact CD2-CD 3.82Å; Y210-K227 HydrophobicContact CE1-CD 3.9Å; Y210-K227 HydrophobicContact CE2-CD 3.57Å; Y210-K227 VanDerWaalsContact CE2-NZ 3.25Å; Y210-K227 HydrophobicContact CG-CD 4.1Å; Y210-K227 PolarHBondContact OH-NZ 3.33Å; T223-K227 PolarHBondContact O-N 3.31Å; T223-K227 VanDerWaalsContact O-N 3.16Å; Y224-K227 PolarHBondContact O-N 3.34Å
228	Y	93.4	Very high	88.2	Confident	94 Å²	94	78.4 Å²	78.4	37%	0.369	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.1	36.6	-175.1	-60.7	-75.1	0	0	0	112.2	Y224 N230 I231 F232	Y224-Y228 AromaticContact CD1-CD2 3.9Å; Y224-Y228 HydrophobicContact CD1-CD2 3.9Å; Y224-Y228 AromaticContact CD1-CE2 3.75Å; Y224-Y228 HydrophobicContact CD1-CE2 3.75Å; Y224-Y228 HydrophobicContact CE1-CE2 4.16Å; Y224-Y228 PolarHBondContact O-N 3.23Å; Y228-N230 PolarHBondContact O-N 2.98Å; Y228-N230 VanDerWaalsContact O-N 3.12Å; Y228-I231 HydrophobicContact CD1-CD1 3.86Å; Y228-I231 HydrophobicContact CG-CD1 4.37Å; Y228-I231 PolarHBondContact O-N 3.23Å; Y228-F232 WeakPolarHBondContact O-CD2 3.37Å; Y228-F232 PolarHBondContact O-N 3.36Å; Y228-F232 VanDerWaalsContact O-N 3.15Å
229	A	89.8	Confident	89.4	Confident	50 Å²	50	74.6 Å²	74.6	41%	0.413	38%	0.381	S	S	.	.	H	α-helix	trans	-51.2	-40.8	-174.8	0	0	0	0	0	113.4	G225 I231 F232 F233	G225-A229 WeakPolarHBondContact O-CA 3.48Å; G225-A229 WeakPolarHBondContact O-CB 3.29Å; G225-A229 PolarHBondContact O-N 3.45Å; A229-I231 PolarHBondContact O-N 2.99Å; A229-F232 PolarHBondContact O-N 3.1Å; A229-F233 WeakPolarHBondContact O-CB 3.36Å; A229-F233 PolarHBondContact O-N 2.86Å
230	N	92.6	Very high	90.4	Very high	143 Å²	143	65.6 Å²	65.6	77%	0.765	35%	0.345	S	S	*	.	H	α-helix	trans	-63.9	-38	178.8	-65.8	-26.9	0	0	0	113	Y228 C234	Y228-N230 PolarHBondContact O-N 2.98Å; Y228-N230 VanDerWaalsContact O-N 3.12Å; N230-C234 WeakPolarHBondContact O-CB 3.44Å; N230-C234 PolarHBondContact O-N 2.91Å
231	I	94.9	Very high	91.4	Very high	97 Å²	97	64.4 Å²	64.4	50%	0.497	33%	0.332	S	S	.	.	H	α-helix	trans	-70.5	-48.1	-180	-59.6	178.4	0	0	0	109.4	Y228 A229 F233 C234 I235	Y228-I231 HydrophobicContact CD1-CD1 3.86Å; Y228-I231 HydrophobicContact CG-CD1 4.37Å; Y228-I231 PolarHBondContact O-N 3.23Å; A229-I231 PolarHBondContact O-N 2.99Å; I231-F233 VanDerWaalsContact C-N 3.33Å; I231-F233 PolarHBondContact O-N 3.4Å; I231-C234 WeakPolarHBondContact O-CB 3.41Å; I231-C234 PolarHBondContact O-N 3.27Å; I231-I235 HydrophobicContact CG2-CD1 3.96Å; I231-I235 WeakPolarHBondContact O-CG1 3.02Å; I231-I235 PolarHBondContact O-N 3Å
232	F	93.1	Very high	92.2	Very high	30 Å²	30	62.1 Å²	62.1	13%	0.132	32%	0.319	C	S	.	.	H	α-helix	trans	-61.2	-42	176.5	-77.6	-73.9	0	0	0	111.9	S202 A205 E206 Y224 Y228 A229 C234 I235 D236	S202-F232 WeakPolarHBondContact O-CE1 3.24Å; S202-F232 WeakPolarHBondContact OG-CD1 3.26Å; A205-F232 HydrophobicContact CB-CE1 3.91Å; A205-F232 HydrophobicContact CB-CZ 3.9Å; E206-F232 HydrophobicContact CB-CD1 4.29Å; E206-F232 HydrophobicContact CB-CE1 4.2Å; Y224-F232 WeakPolarHBondContact O-CE2 3.27Å; Y228-F232 WeakPolarHBondContact O-CD2 3.37Å; Y228-F232 PolarHBondContact O-N 3.36Å; Y228-F232 VanDerWaalsContact O-N 3.15Å; A229-F232 PolarHBondContact O-N 3.1Å; F232-C234 VanDerWaalsContact C-N 3.34Å; F232-C234 PolarHBondContact O-N 3.15Å; F232-I235 PolarHBondContact O-N 3.45Å; F232-D236 VanDerWaalsContact O-CB 3.23Å; F232-D236 WeakPolarHBondContact O-CB 3.42Å; F232-D236 PolarHBondContact O-N 3.45Å
233	F	91.1	Very high	92.8	Very high	115 Å²	115	56.1 Å²	56.1	50%	0.504	30%	0.297	S	S	.	.	H	α-helix	trans	-61.1	-41.9	174.8	-179.6	-100.2	0	0	0	112.1	A229 I231 D236 T237 Y276	A229-F233 WeakPolarHBondContact O-CB 3.36Å; A229-F233 PolarHBondContact O-N 2.86Å; I231-F233 VanDerWaalsContact C-N 3.33Å; I231-F233 PolarHBondContact O-N 3.4Å; F233-D236 PolarHBondContact O-N 2.88Å; F233-T237 VanDerWaalsContact O-CB 3.25Å; F233-T237 WeakPolarHBondContact O-CB 3.16Å; F233-T237 PolarHBondContact O-N 2.68Å; F233-T237 PolarHBondContact O-OG1 2.89Å; F233-Y276 HydrophobicContact CE2-CE2 4.15Å
234	C	95.1	Very high	93.1	Very high	82 Å²	82	55.7 Å²	55.7	55%	0.554	29%	0.294	S	S	*	.	H	α-helix	trans	-63.6	-46.8	176.5	-174.7	0	0	0	0	112	N230 I231 F232 T237 A238	N230-C234 WeakPolarHBondContact O-CB 3.44Å; N230-C234 PolarHBondContact O-N 2.91Å; I231-C234 WeakPolarHBondContact O-CB 3.41Å; I231-C234 PolarHBondContact O-N 3.27Å; F232-C234 VanDerWaalsContact C-N 3.34Å; F232-C234 PolarHBondContact O-N 3.15Å; C234-T237 PolarHBondContact O-N 2.72Å; C234-A238 WeakPolarHBondContact O-CB 2.98Å; C234-A238 PolarHBondContact O-N 3.32Å
235	I	94.8	Very high	93.4	Very high	56 Å²	56	56.2 Å²	56.2	29%	0.287	30%	0.302	S	S	.	.	H	α-helix	trans	-61.5	-46.1	176.5	-66.8	169.5	0	0	0	110.7	V198 I231 F232 A238 C239	V198-I235 HydrophobicContact CG1-CG2 3.8Å; I231-I235 HydrophobicContact CG2-CD1 3.96Å; I231-I235 WeakPolarHBondContact O-CG1 3.02Å; I231-I235 PolarHBondContact O-N 3Å; F232-I235 PolarHBondContact O-N 3.45Å; I235-A238 PolarHBondContact O-N 3.49Å; I235-C239 PolarHBondContact O-N 2.93Å; I235-C239 PolarHBondContact O-SG 3.46Å
236	D	93	Very high	93.6	Very high	12 Å²	12	56.3 Å²	56.3	6%	0.064	30%	0.301	C	S	.	.	H	α-helix	trans	-60.4	-49.5	179.4	-170.6	23.7	0	0	0	110.8	F232 F233 A238 C239 V240 R299 R302	F232-D236 VanDerWaalsContact O-CB 3.23Å; F232-D236 WeakPolarHBondContact O-CB 3.42Å; F232-D236 PolarHBondContact O-N 3.45Å; F233-D236 PolarHBondContact O-N 2.88Å; D236-A238 VanDerWaalsContact C-N 3.35Å; D236-A238 PolarHBondContact O-N 3.28Å; D236-C239 PolarHBondContact O-N 3.2Å; D236-V240 WeakPolarHBondContact O-CB 3.48Å; D236-V240 VanDerWaalsContact O-CG2 3.27Å; D236-V240 WeakPolarHBondContact O-CG2 2.92Å; D236-V240 PolarHBondContact O-N 2.96Å; D236-R299 IonicContact OD2-CZ 2.71Å; D236-R299 IonicContact OD2-NE 3.05Å; D236-R299 IonicContact OD2-NH2 3.92Å; D236-R302 IonicContact OD1-CZ 2.71Å; D236-R302 IonicContact OD1-NH1 2.89Å; D236-R302 PolarHBondContact OD1-NH1 2.94Å; D236-R302 IonicContact OD1-NH2 3.35Å; D236-R302 PolarHBondContact OD1-NH2 2.73Å; D236-R302 IonicContact OD2-NH2 3.25Å
237	T	94	Very high	94	Very high	40 Å²	40	53.6 Å²	53.6	25%	0.245	29%	0.285	C	S	.	.	H	α-helix	trans	-58.6	-45.2	177.6	-57.5	0	0	0	0	111.5	F233 C234 V240 L241 Y276	F233-T237 VanDerWaalsContact O-CB 3.25Å; F233-T237 WeakPolarHBondContact O-CB 3.16Å; F233-T237 PolarHBondContact O-N 2.68Å; F233-T237 PolarHBondContact O-OG1 2.89Å; C234-T237 PolarHBondContact O-N 2.72Å; T237-V240 PolarHBondContact O-N 3.49Å; T237-L241 VanDerWaalsContact O-CB 3.24Å; T237-L241 WeakPolarHBondContact O-CB 3.25Å; T237-L241 PolarHBondContact O-N 3.4Å; T237-Y276 WeakPolarHBondContact CG2-OH 3.37Å; T237-Y276 PolarHBondContact OG1-OH 3.46Å; T237-Y276 VanDerWaalsContact OG1-OH 3.12Å
238	A	95.8	Very high	94.3	Very high	41 Å²	41	54.9 Å²	54.9	34%	0.339	29%	0.294	S	S	.	.	H	α-helix	trans	-63.3	-45.3	178.4	0	0	0	0	0	112.2	C234 I235 D236 L241 I242	C234-A238 WeakPolarHBondContact O-CB 2.98Å; C234-A238 PolarHBondContact O-N 3.32Å; I235-A238 PolarHBondContact O-N 3.49Å; D236-A238 VanDerWaalsContact C-N 3.35Å; D236-A238 PolarHBondContact O-N 3.28Å; A238-L241 PolarHBondContact O-N 3.26Å; A238-I242 WeakPolarHBondContact O-CG1 3.4Å; A238-I242 PolarHBondContact O-N 3.43Å; A238-I242 VanDerWaalsContact O-N 3.17Å
239	C	95.7	Very high	94.3	Very high	1 Å²	1	51.7 Å²	51.7	1%	0.007	29%	0.286	C	S	.	.	H	α-helix	trans	-61.9	-47.4	177.3	-66.4	0	0	0	0	111.5	I235 D236 I242 F243	I235-C239 PolarHBondContact O-N 2.93Å; I235-C239 PolarHBondContact O-SG 3.46Å; D236-C239 PolarHBondContact O-N 3.2Å; C239-I242 PolarHBondContact O-N 3.36Å; C239-F243 WeakPolarHBondContact O-CD2 3.46Å; C239-F243 WeakPolarHBondContact O-CG 3.45Å; C239-F243 PolarHBondContact O-N 3.44Å
240	V	94.9	Very high	94.4	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-65.1	-42.3	-179.4	173.6	0	0	0	0	110.9	D236 T237 I242 F243 T244 V273 Y276 Y277	D236-V240 WeakPolarHBondContact O-CB 3.48Å; D236-V240 VanDerWaalsContact O-CG2 3.27Å; D236-V240 WeakPolarHBondContact O-CG2 2.92Å; D236-V240 PolarHBondContact O-N 2.96Å; T237-V240 PolarHBondContact O-N 3.49Å; V240-I242 VanDerWaalsContact C-N 3.32Å; V240-I242 PolarHBondContact O-N 2.68Å; V240-F243 CarbonylContact O-C 3.6Å; V240-F243 PolarHBondContact O-N 3.21Å; V240-F243 VanDerWaalsContact O-N 3.17Å; V240-T244 WeakPolarHBondContact O-CB 3.46Å; V240-T244 PolarHBondContact O-N 3.13Å; V240-T244 PolarHBondContact O-OG1 3.36Å; V240-V273 HydrophobicContact CG1-CB 4.21Å; V240-V273 HydrophobicContact CG1-CG1 4.33Å; V240-Y276 HydrophobicContact CB-CD1 4.21Å; V240-Y276 HydrophobicContact CB-CG 4.12Å; V240-Y276 HydrophobicContact CG1-CD1 3.62Å; V240-Y276 HydrophobicContact CG1-CE1 4.33Å; V240-Y276 HydrophobicContact CG1-CG 3.88Å; V240-Y276 HydrophobicContact CG2-CD1 4.41Å; V240-Y276 HydrophobicContact CG2-CD2 4.16Å; V240-Y276 HydrophobicContact CG2-CG 3.83Å; V240-Y277 HydrophobicContact CG1-CE2 3.97Å
241	L	95.4	Very high	94.4	Very high	97 Å²	97	45.5 Å²	45.5	51%	0.508	24%	0.244	S	C	.	.	H	α-helix	trans	-57.5	-46.9	177.6	-177.6	64.1	0	0	0	111.4	T237 A238 F243 T244 I245	T237-L241 VanDerWaalsContact O-CB 3.24Å; T237-L241 WeakPolarHBondContact O-CB 3.25Å; T237-L241 PolarHBondContact O-N 3.4Å; A238-L241 PolarHBondContact O-N 3.26Å; L241-F243 PolarHBondContact O-N 3.43Å; L241-T244 PolarHBondContact O-N 3.27Å; L241-I245 HydrophobicContact CD1-CD1 4.24Å; L241-I245 HydrophobicContact CG-CD1 4.05Å; L241-I245 VanDerWaalsContact O-CG1 3.27Å; L241-I245 WeakPolarHBondContact O-CG1 3.31Å; L241-I245 PolarHBondContact O-N 3.47Å
242	I	95.8	Very high	94.2	Very high	47 Å²	47	46.7 Å²	46.7	24%	0.241	24%	0.243	C	C	.	.	H	α-helix	trans	-61.6	-45.1	177	-68.8	171.7	0	0	0	110.7	F195 A238 C239 V240 T244 I245 E246	F195-I242 HydrophobicContact CD1-CD1 3.74Å; F195-I242 HydrophobicContact CD2-CD1 3.52Å; F195-I242 HydrophobicContact CD2-CG2 4.47Å; F195-I242 HydrophobicContact CE1-CD1 3.49Å; F195-I242 VanDerWaalsContact CE1-CD1 3.49Å; F195-I242 HydrophobicContact CE2-CD1 3.29Å; F195-I242 HydrophobicContact CG-CD1 3.76Å; F195-I242 HydrophobicContact CZ-CD1 3.26Å; A238-I242 WeakPolarHBondContact O-CG1 3.4Å; A238-I242 PolarHBondContact O-N 3.43Å; A238-I242 VanDerWaalsContact O-N 3.17Å; C239-I242 PolarHBondContact O-N 3.36Å; V240-I242 VanDerWaalsContact C-N 3.32Å; V240-I242 PolarHBondContact O-N 2.68Å; I242-T244 PolarHBondContact O-N 3.11Å; I242-I245 PolarHBondContact O-N 2.95Å; I242-E246 WeakPolarHBondContact O-CB 3.32Å; I242-E246 PolarHBondContact O-N 3.23Å
243	F	95.9	Very high	94	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-66.8	-35.3	179.2	-66	-13.3	0	0	0	113.2	F195 I196 C239 V240 L241 E246 Y247 V273 K305	F195-F243 HydrophobicContact CB-CE1 3.95Å; F195-F243 HydrophobicContact CB-CZ 4.23Å; I196-F243 HydrophobicContact CB-CZ 4.38Å; I196-F243 HydrophobicContact CG1-CE1 3.97Å; I196-F243 HydrophobicContact CG1-CZ 3.63Å; C239-F243 WeakPolarHBondContact O-CD2 3.46Å; C239-F243 WeakPolarHBondContact O-CG 3.45Å; C239-F243 PolarHBondContact O-N 3.44Å; V240-F243 CarbonylContact O-C 3.6Å; V240-F243 PolarHBondContact O-N 3.21Å; V240-F243 VanDerWaalsContact O-N 3.17Å; L241-F243 PolarHBondContact O-N 3.43Å; F243-E246 PolarHBondContact O-N 2.77Å; F243-Y247 WeakPolarHBondContact O-CB 3.19Å; F243-Y247 PolarHBondContact O-N 3.22Å; F243-V273 HydrophobicContact CB-CG1 3.5Å; F243-K305 HydrophobicContact CD1-CD 4.09Å; F243-K305 VanDerWaalsContact CD1-CE 3.47Å; F243-K305 HydrophobicContact CD2-CD 4.3Å; F243-K305 HydrophobicContact CE1-CD 4.09Å; F243-K305 HydrophobicContact CE2-CD 4.32Å; F243-K305 HydrophobicContact CG-CD 4.19Å; F243-K305 HydrophobicContact CZ-CD 4.22Å
244	T	95.9	Very high	93.9	Very high	18 Å²	18	40 Å²	40	11%	0.11	22%	0.215	C	C	.	.	H	α-helix	trans	-67.6	-45.2	175.3	-62	0	0	0	0	110.8	V240 L241 I242 E246 Y247 I248 Y277	V240-T244 WeakPolarHBondContact O-CB 3.46Å; V240-T244 PolarHBondContact O-N 3.13Å; V240-T244 PolarHBondContact O-OG1 3.36Å; L241-T244 PolarHBondContact O-N 3.27Å; I242-T244 PolarHBondContact O-N 3.11Å; T244-E246 VanDerWaalsContact C-N 3.28Å; T244-E246 PolarHBondContact O-N 2.98Å; T244-Y247 PolarHBondContact O-N 3.42Å; T244-I248 HydrophobicContact CG2-CD1 3.62Å; T244-I248 HydrophobicContact CG2-CG1 4.26Å; T244-I248 WeakPolarHBondContact O-CB 3.39Å; T244-I248 VanDerWaalsContact O-CG1 3.32Å; T244-I248 WeakPolarHBondContact O-CG1 3.48Å; T244-I248 PolarHBondContact O-N 3.35Å; T244-Y277 HydrophobicContact CG2-CE2 4.47Å; T244-Y277 WeakPolarHBondContact CG2-OH 3.32Å; T244-Y277 WeakPolarHBondContact OG1-CE2 3.42Å; T244-Y277 PolarHBondContact OG1-OH 2.89Å
245	I	95.8	Very high	93.3	Very high	101 Å²	101	40.4 Å²	40.4	52%	0.518	22%	0.216	S	C	.	.	H	α-helix	trans	-60	-43.1	175.3	-68.5	166.1	0	0	0	110.1	L241 I242 S249	L241-I245 HydrophobicContact CD1-CD1 4.24Å; L241-I245 HydrophobicContact CG-CD1 4.05Å; L241-I245 VanDerWaalsContact O-CG1 3.27Å; L241-I245 WeakPolarHBondContact O-CG1 3.31Å; L241-I245 PolarHBondContact O-N 3.47Å; I242-I245 PolarHBondContact O-N 2.95Å; I245-S249 WeakPolarHBondContact O-CB 3.43Å; I245-S249 PolarHBondContact O-N 3.14Å; I245-S249 PolarHBondContact O-OG 3.43Å
246	E	94.5	Very high	92.9	Very high	7 Å²	7	40.4 Å²	40.4	3%	0.033	22%	0.221	C	C	.	.	H	α-helix	trans	-61.5	-45.3	175.9	-171.7	-168.4	150.3	0	0	112	F176 T192 I242 F243 T244 S249 R250 K305 R308	F176-E246 HydrophobicContact CE1-CG 4.32Å; T192-E246 HydrophobicContact CG2-CG 4.24Å; T192-E246 WeakPolarHBondContact CG2-OE2 3.48Å; I242-E246 WeakPolarHBondContact O-CB 3.32Å; I242-E246 PolarHBondContact O-N 3.23Å; F243-E246 PolarHBondContact O-N 2.77Å; T244-E246 VanDerWaalsContact C-N 3.28Å; T244-E246 PolarHBondContact O-N 2.98Å; E246-S249 WeakPolarHBondContact CA-OG 3.29Å; E246-S249 PolarHBondContact O-OG 2.88Å; E246-R250 WeakPolarHBondContact O-CB 3.41Å; E246-R250 WeakPolarHBondContact O-CG 3.36Å; E246-R250 PolarHBondContact O-N 3.38Å; E246-R250 IonicContact OE1-CZ 3.27Å; E246-R250 IonicContact OE1-NH1 3.2Å; E246-R250 PolarHBondContact OE1-NH1 3.16Å; E246-R250 IonicContact OE1-NH2 3.56Å; E246-R250 PolarHBondContact OE1-NH2 3.35Å; E246-K305 WeakPolarHBondContact OE1-CE 3.38Å; E246-K305 IonicContact OE1-NZ 3.76Å; E246-K305 PolarHBondContact OE1-NZ 2.82Å; E246-K305 WeakPolarHBondContact OE2-CE 3.33Å; E246-K305 IonicContact OE2-NZ 2.83Å; E246-K305 PolarHBondContact OE2-NZ 3.42Å; E246-R308 IonicContact OE1-CZ 2.9Å; E246-R308 IonicContact OE1-NE 3.12Å; E246-R308 IonicContact OE1-NH2 3.21Å; E246-R308 PolarHBondContact OE1-NH2 3.38Å
247	Y	94.6	Very high	92.6	Very high	24 Å²	24	45.9 Å²	45.9	9%	0.094	24%	0.241	C	C	.	.	H	α-helix	trans	-64.5	-47.5	178.1	176.8	-109.9	0	0	0	112.3	F243 T244 R250 L251 A266 D269 L270	F243-Y247 WeakPolarHBondContact O-CB 3.19Å; F243-Y247 PolarHBondContact O-N 3.22Å; T244-Y247 PolarHBondContact O-N 3.42Å; Y247-R250 PolarHBondContact O-N 2.89Å; Y247-L251 WeakPolarHBondContact O-CB 3.42Å; Y247-L251 PolarHBondContact O-N 3.02Å; Y247-A266 HydrophobicContact CE2-CB 4.23Å; Y247-D269 HydrophobicContact CD2-CB 3.42Å; Y247-D269 VanDerWaalsContact CD2-CB 3.42Å; Y247-D269 HydrophobicContact CE2-CB 4.09Å; Y247-D269 HydrophobicContact CG-CB 4.19Å; Y247-L270 HydrophobicContact CE1-CD1 4.43Å
248	I	94.7	Very high	92.4	Very high	98 Å²	98	48.3 Å²	48.3	50%	0.503	26%	0.258	S	S	.	.	H	α-helix	trans	-64.2	-44.2	179.4	-67.3	170.9	0	0	0	110.6	T244 R250 L251 Y252	T244-I248 HydrophobicContact CG2-CD1 3.62Å; T244-I248 HydrophobicContact CG2-CG1 4.26Å; T244-I248 WeakPolarHBondContact O-CB 3.39Å; T244-I248 VanDerWaalsContact O-CG1 3.32Å; T244-I248 WeakPolarHBondContact O-CG1 3.48Å; T244-I248 PolarHBondContact O-N 3.35Å; I248-R250 VanDerWaalsContact C-N 3.32Å; I248-R250 PolarHBondContact O-N 3.48Å; I248-L251 PolarHBondContact O-N 3.47Å; I248-Y252 WeakPolarHBondContact O-CB 3.4Å; I248-Y252 PolarHBondContact O-N 2.99Å
249	S	93.2	Very high	92	Very high	26 Å²	26	54.3 Å²	54.3	18%	0.182	28%	0.277	C	S	.	.	H	α-helix	trans	-62.8	-38.2	178.3	58.1	0	0	0	0	111.9	F176 I245 E246 Y252 A253	F176-S249 VanDerWaalsContact CZ-OG 3.27Å; F176-S249 WeakPolarHBondContact CZ-OG 3.26Å; I245-S249 WeakPolarHBondContact O-CB 3.43Å; I245-S249 PolarHBondContact O-N 3.14Å; I245-S249 PolarHBondContact O-OG 3.43Å; E246-S249 WeakPolarHBondContact CA-OG 3.29Å; E246-S249 PolarHBondContact O-OG 2.88Å; S249-Y252 PolarHBondContact O-N 3.45Å; S249-A253 WeakPolarHBondContact O-CB 3.43Å; S249-A253 PolarHBondContact O-N 3.22Å
250	R	92	Very high	91.6	Very high	19 Å²	19	55.2 Å²	55.2	7%	0.072	28%	0.28	C	S	.	.	H	α-helix	trans	-67.3	-42.9	171.8	-75.5	-160.8	-172.8	103.2	8.8	113.4	F176 E246 Y247 I248 Y252 A253 S254 Y260 D269 R308	F176-R250 HydrophobicContact CB-CG 4.36Å; F176-R250 HydrophobicContact CD1-CG 4.13Å; F176-R250 HydrophobicContact CD2-CG 3.69Å; F176-R250 HydrophobicContact CE1-CG 4.33Å; F176-R250 HydrophobicContact CE2-CG 3.9Å; F176-R250 HydrophobicContact CG-CG 3.81Å; F176-R250 HydrophobicContact CZ-CG 4.22Å; E246-R250 WeakPolarHBondContact O-CB 3.41Å; E246-R250 WeakPolarHBondContact O-CG 3.36Å; E246-R250 PolarHBondContact O-N 3.38Å; E246-R250 IonicContact OE1-CZ 3.27Å; E246-R250 IonicContact OE1-NH1 3.2Å; E246-R250 PolarHBondContact OE1-NH1 3.16Å; E246-R250 IonicContact OE1-NH2 3.56Å; E246-R250 PolarHBondContact OE1-NH2 3.35Å; Y247-R250 PolarHBondContact O-N 2.89Å; I248-R250 VanDerWaalsContact C-N 3.32Å; I248-R250 PolarHBondContact O-N 3.48Å; R250-Y252 VanDerWaalsContact C-N 3.26Å; R250-Y252 PolarHBondContact O-N 3.46Å; R250-A253 PolarHBondContact O-N 2.87Å; R250-S254 WeakPolarHBondContact O-CB 3.41Å; R250-S254 PolarHBondContact O-N 3.42Å; R250-Y260 HydrophobicContact CB-CE1 4.1Å; R250-Y260 WeakPolarHBondContact CB-OH 3.33Å; R250-Y260 WeakPolarHBondContact CD-OH 3.46Å; R250-D269 IonicContact NH1-OD1 2.98Å; R250-D269 IonicContact NH1-OD2 2.77Å; R250-D269 PolarHBondContact NH1-OD2 3.46Å; R250-R308 VanDerWaalsContact CZ-NE 3.31Å; R250-R308 VanDerWaalsContact NH1-NE 3.11Å
251	L	92.6	Very high	91.4	Very high	44 Å²	44	59.9 Å²	59.9	23%	0.23	30%	0.303	C	S	.	.	H	α-helix	trans	-62.3	-37.3	176.8	-176	63.5	0	0	0	111.4	Y247 I248 R257 Y260	Y247-L251 WeakPolarHBondContact O-CB 3.42Å; Y247-L251 PolarHBondContact O-N 3.02Å; I248-L251 PolarHBondContact O-N 3.47Å; L251-R257 HydrophobicContact CD1-CB 3.98Å; L251-R257 HydrophobicContact CD1-CG 4.31Å; L251-Y260 HydrophobicContact CD1-CD1 3.99Å
252	Y	91.3	Very high	91.2	Very high	123 Å²	123	65.3 Å²	65.3	48%	0.482	32%	0.317	S	S	.	.	H	α-helix	trans	-67.9	-43.8	173.5	177.6	-95.4	0	0	0	112.3	F168 R169 L172 I248 S249 R250 S254	F168-Y252 HydrophobicContact CD1-CE1 4.45Å; R169-Y252 HydrophobicContact CB-CE1 4.21Å; R169-Y252 VanDerWaalsContact CD-O 3.27Å; R169-Y252 WeakPolarHBondContact CD-O 3.46Å; R169-Y252 HydrophobicContact CG-CD1 4.4Å; R169-Y252 HydrophobicContact CG-CE1 4.21Å; R169-Y252 VanDerWaalsContact CG-O 3.31Å; R169-Y252 WeakPolarHBondContact CG-O 3.38Å; L172-Y252 HydrophobicContact CD2-CD1 4.34Å; I248-Y252 WeakPolarHBondContact O-CB 3.4Å; I248-Y252 PolarHBondContact O-N 2.99Å; S249-Y252 PolarHBondContact O-N 3.45Å; R250-Y252 VanDerWaalsContact C-N 3.26Å; R250-Y252 PolarHBondContact O-N 3.46Å; Y252-S254 VanDerWaalsContact C-N 3.33Å; Y252-S254 PolarHBondContact O-N 3.02Å
253	A	88.8	Confident	91	Very high	1 Å²	1	64.9 Å²	64.9	1%	0.008	32%	0.318	C	S	.	.	H	α-helix	trans	-66.4	-32.6	179.5	0	0	0	0	0	112.9	L172 W173 S249 R250	L172-A253 HydrophobicContact CB-CB 4.16Å; L172-A253 HydrophobicContact CD2-CB 4.06Å; L172-A253 HydrophobicContact CG-CB 3.99Å; W173-A253 HydrophobicContact CB-CB 3.95Å; W173-A253 HydrophobicContact CE3-CB 4.06Å; S249-A253 WeakPolarHBondContact O-CB 3.43Å; S249-A253 PolarHBondContact O-N 3.22Å; R250-A253 PolarHBondContact O-N 2.87Å
254	S	87.3	Confident	90.7	Very high	4 Å²	4	70 Å²	70	3%	0.028	35%	0.349	C	S	.	.			trans	-63.5	135.6	-174	-168.6	0	0	0	0	113.2	R250 Y252 S256 Y260	R250-S254 WeakPolarHBondContact O-CB 3.41Å; R250-S254 PolarHBondContact O-N 3.42Å; Y252-S254 VanDerWaalsContact C-N 3.33Å; Y252-S254 PolarHBondContact O-N 3.02Å; S254-S256 VanDerWaalsContact C-N 3.33Å; S254-S256 PolarHBondContact O-N 3.47Å; S254-Y260 VanDerWaalsContact OG-CB 3.28Å; S254-Y260 WeakPolarHBondContact OG-CB 3.17Å
255	P	83.1	Confident	90.5	Very high	90 Å²	90	71.1 Å²	71.1	58%	0.584	35%	0.353	S	S	*	.	S	Bend	trans	-60.5	-37.7	176.9	-24.4	33	0	0	0	114
256	S	86.2	Confident	90.4	Very high	56 Å²	56	66.3 Å²	66.3	39%	0.392	33%	0.329	S	S	.	.			trans	-130.7	90.6	-173.7	59.4	0	0	0	0	111.3	S254 C258 K259 Y260	S254-S256 VanDerWaalsContact C-N 3.33Å; S254-S256 PolarHBondContact O-N 3.47Å; S256-C258 PolarHBondContact O-N 2.93Å; S256-K259 PolarHBondContact O-N 3.49Å; S256-K259 WeakPolarHBondContact OG-CB 3.03Å; S256-Y260 PolarHBondContact O-N 3.1Å
257	R	86.5	Confident	90.3	Very high	127 Å²	127	69.1 Å²	69.1	48%	0.479	35%	0.346	S	S	.	.	H	α-helix	trans	-55.9	-48.1	-171.1	-61.5	178.9	-174.1	87.6	-0.9	114.2	L251 K259 Y260 M261	L251-R257 HydrophobicContact CD1-CB 3.98Å; L251-R257 HydrophobicContact CD1-CG 4.31Å; R257-K259 PolarHBondContact O-N 3.21Å; R257-Y260 PolarHBondContact O-N 3.03Å; R257-M261 WeakPolarHBondContact O-CB 3.44Å; R257-M261 PolarHBondContact O-N 3.3Å
258	C	89.5	Confident	90.2	Very high	91 Å²	91	69.3 Å²	69.3	62%	0.615	35%	0.349	S	S	*	.	H	α-helix	trans	-64.8	-39.1	-179.4	-70.7	0	0	0	0	112.4	S256 R262	S256-C258 PolarHBondContact O-N 2.93Å; C258-R262 WeakPolarHBondContact O-CG 3.17Å; C258-R262 PolarHBondContact O-N 2.9Å
259	K	87.5	Confident	90.2	Very high	166 Å²	166	64.7 Å²	64.7	72%	0.722	33%	0.325	S	S	*	.	H	α-helix	trans	-69.2	-39.4	176.5	-175.1	178.5	-179.8	177.2	0	111.1	S256 R257 R262 S263	S256-K259 PolarHBondContact O-N 3.49Å; S256-K259 WeakPolarHBondContact OG-CB 3.03Å; R257-K259 PolarHBondContact O-N 3.21Å; K259-R262 PolarHBondContact O-N 3.42Å; K259-S263 PolarHBondContact O-N 3.43Å
260	Y	88.7	Confident	90.3	Very high	21 Å²	21	66.9 Å²	66.9	8%	0.082	33%	0.334	C	S	.	.	H	α-helix	trans	-65.7	-45.2	176.4	-179.6	-104.8	0	0	0	112	W173 R250 L251 S254 S256 R257 R262 S263 A266	W173-Y260 AromaticContact CH2-CD2 3.86Å; W173-Y260 HydrophobicContact CH2-CD2 3.86Å; W173-Y260 AromaticContact CH2-CE2 3.85Å; W173-Y260 HydrophobicContact CH2-CE2 3.85Å; W173-Y260 HydrophobicContact CZ3-CD2 4.12Å; W173-Y260 AromaticContact CZ3-CE2 3.97Å; W173-Y260 HydrophobicContact CZ3-CE2 3.97Å; R250-Y260 HydrophobicContact CB-CE1 4.1Å; R250-Y260 WeakPolarHBondContact CB-OH 3.33Å; R250-Y260 WeakPolarHBondContact CD-OH 3.46Å; L251-Y260 HydrophobicContact CD1-CD1 3.99Å; S254-Y260 VanDerWaalsContact OG-CB 3.28Å; S254-Y260 WeakPolarHBondContact OG-CB 3.17Å; S256-Y260 PolarHBondContact O-N 3.1Å; R257-Y260 PolarHBondContact O-N 3.03Å; Y260-R262 PolarHBondContact O-N 3.01Å; Y260-S263 WeakPolarHBondContact O-CB 3.35Å; Y260-S263 PolarHBondContact O-N 3.47Å; Y260-S263 PolarHBondContact O-OG 3.08Å; Y260-A266 HydrophobicContact CD1-CB 4.09Å; Y260-A266 HydrophobicContact CE1-CB 3.81Å; Y260-A266 HydrophobicContact CE2-CB 4.48Å; Y260-A266 WeakPolarHBondContact O-CB 3.31Å
261	M	90.5	Very high	90.3	Very high	97 Å²	97	67.9 Å²	67.9	48%	0.478	34%	0.343	S	S	.	.	H	α-helix	trans	-58.7	-30.7	178.1	-169	176.3	73.8	0	0	112.6	R257 S263	R257-M261 WeakPolarHBondContact O-CB 3.44Å; R257-M261 PolarHBondContact O-N 3.3Å; M261-S263 VanDerWaalsContact C-N 3.33Å
262	R	91	Very high	90.3	Very high	211 Å²	211	65.8 Å²	65.8	80%	0.796	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-4.2	174.2	-67.4	179.4	-176.4	173.7	1.4	114.1	C258 K259 Y260	C258-R262 WeakPolarHBondContact O-CG 3.17Å; C258-R262 PolarHBondContact O-N 2.9Å; K259-R262 PolarHBondContact O-N 3.42Å; Y260-R262 PolarHBondContact O-N 3.01Å
263	S	91	Very high	90.5	Very high	38 Å²	38	60.3 Å²	60.3	27%	0.266	31%	0.311	S	S	.	.	S	Bend	trans	-73.5	144.2	178.4	76.2	0	0	0	0	111	K259 Y260 M261 M265 A266 V267	K259-S263 PolarHBondContact O-N 3.43Å; Y260-S263 WeakPolarHBondContact O-CB 3.35Å; Y260-S263 PolarHBondContact O-N 3.47Å; Y260-S263 PolarHBondContact O-OG 3.08Å; M261-S263 VanDerWaalsContact C-N 3.33Å; S263-M265 PolarHBondContact O-N 3.46Å; S263-M265 VanDerWaalsContact O-N 3.13Å; S263-A266 PolarHBondContact O-N 3.44Å; S263-A266 WeakPolarHBondContact OG-CB 3.44Å; S263-A266 PolarHBondContact OG-N 3.45Å; S263-V267 WeakPolarHBondContact O-CG2 3.37Å; S263-V267 PolarHBondContact O-N 2.98Å
264	V	90.8	Very high	90.6	Very high	107 Å²	107	64 Å²	64	65%	0.648	33%	0.33	S	S	*	.	H	α-helix	trans	-52.9	-38.3	178.3	178.1	0	0	0	0	111.5	V267 I268	V264-V267 PolarHBondContact O-N 2.94Å; V264-I268 HydrophobicContact CG1-CD1 4.05Å; V264-I268 VanDerWaalsContact O-CG1 3.29Å; V264-I268 WeakPolarHBondContact O-CG1 3.36Å; V264-I268 PolarHBondContact O-N 2.87Å
265	M	90.4	Very high	90.7	Very high	42 Å²	42	64.3 Å²	64.3	21%	0.207	33%	0.332	C	S	.	.	H	α-helix	trans	-68.3	-36.8	179.9	-64.9	-61.1	160.7	0	0	113.4	S263 D269 R308 R314	S263-M265 PolarHBondContact O-N 3.46Å; S263-M265 VanDerWaalsContact O-N 3.13Å; M265-D269 PolarHBondContact O-N 3.12Å; M265-R308 PolarHBondContact O-NH1 3.43Å; M265-R308 HydrophobicContact SD-CG 3.67Å; M265-R314 HydrophobicContact CE-CB 4.44Å; M265-R314 HydrophobicContact CE-CG 3.6Å
266	A	93.3	Very high	91	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-74.1	-37.1	176.3	0	0	0	0	0	111.7	Y247 Y260 S263 I268 D269 L270	Y247-A266 HydrophobicContact CE2-CB 4.23Å; Y260-A266 HydrophobicContact CD1-CB 4.09Å; Y260-A266 HydrophobicContact CE1-CB 3.81Å; Y260-A266 HydrophobicContact CE2-CB 4.48Å; Y260-A266 WeakPolarHBondContact O-CB 3.31Å; S263-A266 PolarHBondContact O-N 3.44Å; S263-A266 WeakPolarHBondContact OG-CB 3.44Å; S263-A266 PolarHBondContact OG-N 3.45Å; A266-I268 VanDerWaalsContact C-N 3.34Å; A266-D269 WeakPolarHBondContact O-CB 3.35Å; A266-D269 PolarHBondContact O-N 2.86Å; A266-L270 WeakPolarHBondContact O-CB 3.37Å; A266-L270 PolarHBondContact O-N 3.26Å
267	V	93.5	Very high	91.2	Very high	67 Å²	67	62.7 Å²	62.7	41%	0.406	31%	0.306	S	S	.	.	H	α-helix	trans	-61.5	-44.2	173.5	175.1	0	0	0	0	110.3	S263 V264 D269 L270 T271	S263-V267 WeakPolarHBondContact O-CG2 3.37Å; S263-V267 PolarHBondContact O-N 2.98Å; V264-V267 PolarHBondContact O-N 2.94Å; V267-D269 VanDerWaalsContact C-N 3.33Å; V267-D269 PolarHBondContact O-N 3.25Å; V267-L270 PolarHBondContact O-N 2.96Å; V267-T271 HydrophobicContact CG1-CG2 4.2Å; V267-T271 VanDerWaalsContact O-CG2 3.28Å; V267-T271 WeakPolarHBondContact O-CG2 3.42Å; V267-T271 PolarHBondContact O-N 3.48Å; V267-T271 PolarHBondContact O-OG1 3.44Å
268	I	93.4	Very high	91.2	Very high	28 Å²	28	59.4 Å²	59.4	14%	0.144	30%	0.298	C	S	.	.	H	α-helix	trans	-57.9	-45.5	174.3	-71.1	168	0	0	0	111.1	V264 A266 L270 T271 A272 F304 K305	V264-I268 HydrophobicContact CG1-CD1 4.05Å; V264-I268 VanDerWaalsContact O-CG1 3.29Å; V264-I268 WeakPolarHBondContact O-CG1 3.36Å; V264-I268 PolarHBondContact O-N 2.87Å; A266-I268 VanDerWaalsContact C-N 3.34Å; I268-L270 VanDerWaalsContact C-N 3.35Å; I268-L270 PolarHBondContact O-N 3.15Å; I268-T271 WeakPolarHBondContact CA-OG1 3.41Å; I268-T271 PolarHBondContact O-N 3.16Å; I268-T271 PolarHBondContact O-OG1 3.47Å; I268-A272 WeakPolarHBondContact O-CB 3.46Å; I268-A272 PolarHBondContact O-N 3.25Å; I268-F304 HydrophobicContact CG1-CB 4.45Å; I268-F304 VanDerWaalsContact CG2-C 3.47Å; I268-F304 HydrophobicContact CG2-CB 3.89Å; I268-K305 HydrophobicContact CG2-CB 4.36Å
269	D	94.1	Very high	90.9	Very high	0 Å²	0	58 Å²	58	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-59	-45.1	175.5	-94.1	-20.3	0	0	0	113.3	Y247 R250 M265 A266 V267 A272 V273 K305 R308	Y247-D269 HydrophobicContact CD2-CB 3.42Å; Y247-D269 VanDerWaalsContact CD2-CB 3.42Å; Y247-D269 HydrophobicContact CE2-CB 4.09Å; Y247-D269 HydrophobicContact CG-CB 4.19Å; R250-D269 IonicContact NH1-OD1 2.98Å; R250-D269 IonicContact NH1-OD2 2.77Å; R250-D269 PolarHBondContact NH1-OD2 3.46Å; M265-D269 PolarHBondContact O-N 3.12Å; A266-D269 WeakPolarHBondContact O-CB 3.35Å; A266-D269 PolarHBondContact O-N 2.86Å; V267-D269 VanDerWaalsContact C-N 3.33Å; V267-D269 PolarHBondContact O-N 3.25Å; D269-A272 WeakPolarHBondContact O-CB 3.38Å; D269-A272 PolarHBondContact O-N 3.44Å; D269-V273 PolarHBondContact O-N 3.29Å; D269-K305 IonicContact OD1-NZ 4Å; D269-K305 PolarHBondContact OD1-NZ 2.98Å; D269-R308 VanDerWaalsContact CG-CZ 3.47Å; D269-R308 IonicContact OD1-CZ 2.81Å; D269-R308 IonicContact OD1-NH1 3.33Å; D269-R308 PolarHBondContact OD1-NH1 3.41Å; D269-R308 IonicContact OD1-NH2 2.86Å; D269-R308 PolarHBondContact OD1-NH2 2.65Å; D269-R308 IonicContact OD2-CZ 2.62Å; D269-R308 VanDerWaalsContact OD2-CZ 3.25Å; D269-R308 IonicContact OD2-NH1 2.65Å; D269-R308 PolarHBondContact OD2-NH1 3.16Å; D269-R308 IonicContact OD2-NH2 3.74Å; D269-R308 PolarHBondContact OD2-NH2 3.28Å
270	L	94.6	Very high	90.7	Very high	73 Å²	73	54.8 Å²	54.8	38%	0.382	28%	0.279	S	S	.	.	H	α-helix	trans	-63	-48.6	179.6	-177.4	63	0	0	0	110.6	Y247 A266 V267 I268 A272 V273 L274	Y247-L270 HydrophobicContact CE1-CD1 4.43Å; A266-L270 WeakPolarHBondContact O-CB 3.37Å; A266-L270 PolarHBondContact O-N 3.26Å; V267-L270 PolarHBondContact O-N 2.96Å; I268-L270 VanDerWaalsContact C-N 3.35Å; I268-L270 PolarHBondContact O-N 3.15Å; L270-A272 PolarHBondContact O-N 3.14Å; L270-V273 VanDerWaalsContact O-CG2 3.32Å; L270-V273 WeakPolarHBondContact O-CG2 3.38Å; L270-V273 PolarHBondContact O-N 3.2Å; L270-L274 VanDerWaalsContact O-CB 3.23Å; L270-L274 WeakPolarHBondContact O-CB 3.47Å; L270-L274 PolarHBondContact O-N 3.41Å
271	T	92.5	Very high	90.5	Very high	40 Å²	40	60.4 Å²	60.4	25%	0.245	31%	0.309	C	S	.	.	H	α-helix	trans	-63	-25.8	178.6	61.9	0	0	0	0	113.2	V267 I268 P275	V267-T271 HydrophobicContact CG1-CG2 4.2Å; V267-T271 VanDerWaalsContact O-CG2 3.28Å; V267-T271 WeakPolarHBondContact O-CG2 3.42Å; V267-T271 PolarHBondContact O-N 3.48Å; V267-T271 PolarHBondContact O-OG1 3.44Å; I268-T271 WeakPolarHBondContact CA-OG1 3.41Å; I268-T271 PolarHBondContact O-N 3.16Å; I268-T271 PolarHBondContact O-OG1 3.47Å; T271-P275 WeakPolarHBondContact O-CD 3.45Å
272	A	93.5	Very high	89.9	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-70.5	-35.5	176.6	0	0	0	0	0	112.7	I268 D269 L270 R302 K305	I268-A272 WeakPolarHBondContact O-CB 3.46Å; I268-A272 PolarHBondContact O-N 3.25Å; D269-A272 WeakPolarHBondContact O-CB 3.38Å; D269-A272 PolarHBondContact O-N 3.44Å; L270-A272 PolarHBondContact O-N 3.14Å; A272-R302 HydrophobicContact CB-CB 4.34Å; A272-R302 HydrophobicContact CB-CG 3.87Å; A272-R302 WeakPolarHBondContact O-CG 3.41Å; A272-R302 PolarHBondContact O-NE 3.38Å; A272-K305 HydrophobicContact CB-CD 4.5Å
273	V	94.2	Very high	88.7	Confident	7 Å²	7	51 Å²	51	4%	0.042	28%	0.282	C	S	.	.	H	α-helix	trans	-94.4	-27.3	-178.9	-61.2	0	0	0	0	113.3	V240 F243 D269 L270 P275 Y276 Y277	V240-V273 HydrophobicContact CG1-CB 4.21Å; V240-V273 HydrophobicContact CG1-CG1 4.33Å; F243-V273 HydrophobicContact CB-CG1 3.5Å; D269-V273 PolarHBondContact O-N 3.29Å; L270-V273 VanDerWaalsContact O-CG2 3.32Å; L270-V273 WeakPolarHBondContact O-CG2 3.38Å; L270-V273 PolarHBondContact O-N 3.2Å; V273-P275 VanDerWaalsContact C-CD 3.46Å; V273-Y276 PolarHBondContact O-N 2.99Å; V273-Y277 HydrophobicContact CB-CD2 4.35Å; V273-Y277 HydrophobicContact CB-CE2 4.14Å; V273-Y277 HydrophobicContact CG2-CE2 4.41Å; V273-Y277 WeakPolarHBondContact O-CD2 3.24Å
274	L	91.3	Very high	87.4	Confident	78 Å²	78	53.4 Å²	53.4	41%	0.408	30%	0.304	S	S	.	.	H	α-helix	trans	-54	-43.6	-173.1	-174.2	71.4	0	0	0	114.7	L270 Y276 Y277 I278	L270-L274 VanDerWaalsContact O-CB 3.23Å; L270-L274 WeakPolarHBondContact O-CB 3.47Å; L270-L274 PolarHBondContact O-N 3.41Å; L274-Y276 PolarHBondContact O-N 3.15Å; L274-Y276 VanDerWaalsContact O-N 3.17Å; L274-Y277 PolarHBondContact O-N 3.4Å; L274-I278 HydrophobicContact CD1-CD1 4.1Å; L274-I278 HydrophobicContact CD1-CG1 4.13Å; L274-I278 HydrophobicContact CD2-CD1 4Å; L274-I278 HydrophobicContact CG-CD1 3.62Å; L274-I278 HydrophobicContact CG-CG1 4.06Å; L274-I278 WeakPolarHBondContact O-CG1 3.22Å; L274-I278 PolarHBondContact O-N 2.97Å
275	P	89.3	Confident	85.9	Confident	11 Å²	11	52.2 Å²	52.2	7%	0.071	31%	0.313	C	S	.	.	H	α-helix	trans	-58.2	-34.2	-177.5	-25.7	34.8	0	0	0	113.6	T271 V273 S279 F298 R299	T271-P275 WeakPolarHBondContact O-CD 3.45Å; V273-P275 VanDerWaalsContact C-CD 3.46Å; P275-S279 WeakPolarHBondContact O-CB 3.25Å; P275-S279 PolarHBondContact O-N 2.77Å; P275-S279 VanDerWaalsContact O-N 3.11Å; P275-F298 HydrophobicContact CB-CB 4.17Å; P275-F298 HydrophobicContact CG-CB 3.66Å; P275-R299 HydrophobicContact CB-CG 4.25Å
276	Y	89.4	Confident	84.3	Confident	26 Å²	26	55.2 Å²	55.2	10%	0.102	33%	0.329	C	S	.	.	H	α-helix	trans	-70.9	-46.6	178.8	177	-91.7	0	0	0	111.7	F233 T237 V240 V273 L274 I278 S279 L280	F233-Y276 HydrophobicContact CE2-CE2 4.15Å; T237-Y276 WeakPolarHBondContact CG2-OH 3.37Å; T237-Y276 PolarHBondContact OG1-OH 3.46Å; T237-Y276 VanDerWaalsContact OG1-OH 3.12Å; V240-Y276 HydrophobicContact CB-CD1 4.21Å; V240-Y276 HydrophobicContact CB-CG 4.12Å; V240-Y276 HydrophobicContact CG1-CD1 3.62Å; V240-Y276 HydrophobicContact CG1-CE1 4.33Å; V240-Y276 HydrophobicContact CG1-CG 3.88Å; V240-Y276 HydrophobicContact CG2-CD1 4.41Å; V240-Y276 HydrophobicContact CG2-CD2 4.16Å; V240-Y276 HydrophobicContact CG2-CG 3.83Å; V273-Y276 PolarHBondContact O-N 2.99Å; L274-Y276 PolarHBondContact O-N 3.15Å; L274-Y276 VanDerWaalsContact O-N 3.17Å; Y276-I278 PolarHBondContact O-N 3.44Å; Y276-S279 WeakPolarHBondContact O-CB 3.26Å; Y276-S279 PolarHBondContact O-N 3.19Å; Y276-S279 VanDerWaalsContact O-N 3.15Å; Y276-L280 HydrophobicContact CD1-CD1 3.98Å; Y276-L280 HydrophobicContact CD1-CG 4.49Å; Y276-L280 HydrophobicContact CE1-CD1 3.37Å; Y276-L280 HydrophobicContact CE1-CG 4.09Å; Y276-L280 PolarHBondContact O-N 3.41Å; Y276-L280 VanDerWaalsContact O-N 3.13Å
277	Y	90.9	Very high	82.4	Confident	87 Å²	87	59.3 Å²	59.3	34%	0.341	35%	0.348	S	S	.	.	H	α-helix	trans	-66.6	-37.4	178.3	-71.7	-71.2	0	0	0	112.7	V240 T244 V273 L274 S279 L280 I281	V240-Y277 HydrophobicContact CG1-CE2 3.97Å; T244-Y277 HydrophobicContact CG2-CE2 4.47Å; T244-Y277 WeakPolarHBondContact CG2-OH 3.32Å; T244-Y277 WeakPolarHBondContact OG1-CE2 3.42Å; T244-Y277 PolarHBondContact OG1-OH 2.89Å; V273-Y277 HydrophobicContact CB-CD2 4.35Å; V273-Y277 HydrophobicContact CB-CE2 4.14Å; V273-Y277 HydrophobicContact CG2-CE2 4.41Å; V273-Y277 WeakPolarHBondContact O-CD2 3.24Å; L274-Y277 PolarHBondContact O-N 3.4Å; Y277-S279 VanDerWaalsContact C-N 3.28Å; Y277-S279 PolarHBondContact O-N 3.1Å; Y277-L280 HydrophobicContact CD1-CD1 4.44Å; Y277-L280 PolarHBondContact O-N 3.14Å; Y277-I281 WeakPolarHBondContact O-CG1 3.37Å; Y277-I281 PolarHBondContact O-N 3.43Å; Y277-I281 VanDerWaalsContact O-N 3.1Å
278	I	87	Confident	80.4	Confident	58 Å²	58	63.9 Å²	63.9	30%	0.297	36%	0.363	S	S	.	.	H	α-helix	trans	-59.5	-44.1	171.9	-66.4	174.7	0	0	0	109.7	L274 Y276 L280 I281 V282 L295	L274-I278 HydrophobicContact CD1-CD1 4.1Å; L274-I278 HydrophobicContact CD1-CG1 4.13Å; L274-I278 HydrophobicContact CD2-CD1 4Å; L274-I278 HydrophobicContact CG-CD1 3.62Å; L274-I278 HydrophobicContact CG-CG1 4.06Å; L274-I278 WeakPolarHBondContact O-CG1 3.22Å; L274-I278 PolarHBondContact O-N 2.97Å; Y276-I278 PolarHBondContact O-N 3.44Å; I278-L280 PolarHBondContact O-N 2.98Å; I278-I281 PolarHBondContact O-N 3Å; I278-V282 HydrophobicContact CG2-CG2 4.19Å; I278-V282 WeakPolarHBondContact O-CG2 3.26Å; I278-V282 PolarHBondContact O-N 2.93Å; I278-V282 VanDerWaalsContact O-N 3.11Å; I278-L295 HydrophobicContact CG2-CD1 3.65Å
279	S	82.5	Confident	78.6	Confident	61 Å²	61	68.3 Å²	68.3	43%	0.427	40%	0.397	S	S	.	.	H	α-helix	trans	-63.5	-23.4	178.2	-171.3	0	0	0	0	114.2	P275 Y276 Y277	P275-S279 WeakPolarHBondContact O-CB 3.25Å; P275-S279 PolarHBondContact O-N 2.77Å; P275-S279 VanDerWaalsContact O-N 3.11Å; Y276-S279 WeakPolarHBondContact O-CB 3.26Å; Y276-S279 PolarHBondContact O-N 3.19Å; Y276-S279 VanDerWaalsContact O-N 3.15Å; Y277-S279 VanDerWaalsContact C-N 3.28Å; Y277-S279 PolarHBondContact O-N 3.1Å
280	L	83.9	Confident	76.9	Confident	98 Å²	98	70.5 Å²	70.5	51%	0.513	42%	0.419	S	S	.	.	H	α-helix	trans	-84.2	-37.2	176.2	-72.5	177.3	0	0	0	112.9	Y276 Y277 I278	Y276-L280 HydrophobicContact CD1-CD1 3.98Å; Y276-L280 HydrophobicContact CD1-CG 4.49Å; Y276-L280 HydrophobicContact CE1-CD1 3.37Å; Y276-L280 HydrophobicContact CE1-CG 4.09Å; Y276-L280 PolarHBondContact O-N 3.41Å; Y276-L280 VanDerWaalsContact O-N 3.13Å; Y277-L280 HydrophobicContact CD1-CD1 4.44Å; Y277-L280 PolarHBondContact O-N 3.14Å; I278-L280 PolarHBondContact O-N 2.98Å
281	I	83.4	Confident	75	Confident	139 Å²	139	70.9 Å²	70.9	71%	0.713	43%	0.428	S	S	*	.	H	α-helix	trans	-73.7	-34.8	-177.9	-65.8	166.1	0	0	0	110.6	Y277 I278 P283	Y277-I281 WeakPolarHBondContact O-CG1 3.37Å; Y277-I281 PolarHBondContact O-N 3.43Å; Y277-I281 VanDerWaalsContact O-N 3.1Å; I278-I281 PolarHBondContact O-N 3Å; I281-P283 VanDerWaalsContact O-CD 3.26Å; I281-P283 WeakPolarHBondContact O-CD 3.34Å
282	V	78.9	Confident	73.6	Confident	38 Å²	38	71 Å²	71	23%	0.23	43%	0.427	C	S	.	.	S	Bend	trans	-73.8	117.2	-180	-176.2	0	0	0	0	110	I278 L292	I278-V282 HydrophobicContact CG2-CG2 4.19Å; I278-V282 WeakPolarHBondContact O-CG2 3.26Å; I278-V282 PolarHBondContact O-N 2.93Å; I278-V282 VanDerWaalsContact O-N 3.11Å; V282-L292 HydrophobicContact CB-CD1 4.19Å; V282-L292 HydrophobicContact CG1-CD1 3.3Å; V282-L292 HydrophobicContact CG1-CD2 4.17Å; V282-L292 HydrophobicContact CG1-CG 4.38Å; V282-L292 HydrophobicContact CG2-CD2 4.39Å
283	P	66	Low	72.4	Confident	74 Å²	74	74.4 Å²	74.4	48%	0.481	45%	0.448	S	S	.	.			trans	-60.4	142.7	-177.8	-21.9	32.5	0	0	0	112.1	I281 G285 L286	I281-P283 VanDerWaalsContact O-CD 3.26Å; I281-P283 WeakPolarHBondContact O-CD 3.34Å; P283-G285 PolarHBondContact O-N 3.02Å; P283-L286 HydrophobicContact CG-CD1 4.38Å; P283-L286 PolarHBondContact O-N 3.05Å
284	A	63.2	Low	71.4	Confident	88 Å²	88	78.1 Å²	78.1	73%	0.727	47%	0.47	S	S	*	.	G	3₁₀ helix	trans	-53.4	-28	175.6	0	0	0	0	0	113.5	Q287	A284-Q287 WeakPolarHBondContact O-CG 3.3Å
285	G	58.6	Low	70.8	Confident	81 Å²	81	76.5 Å²	76.5	84%	0.835	46%	0.462	S	S	*	.	G	3₁₀ helix	trans	-81.5	-20.2	177.6	0	0	0	0	0	115.6	P283 Q287	P283-G285 PolarHBondContact O-N 3.02Å; G285-Q287 VanDerWaalsContact C-N 3.32Å
286	L	56.7	Low	70.3	Confident	105 Å²	105	80.9 Å²	80.9	55%	0.55	48%	0.477	S	S	.	.	G	3₁₀ helix	trans	-92.3	5.1	175.3	-101.7	166.4	0	0	0	112.4	P283 F288	P283-L286 HydrophobicContact CG-CD1 4.38Å; P283-L286 PolarHBondContact O-N 3.05Å; L286-F288 HydrophobicContact CD2-CE2 4.12Å; L286-F288 PolarHBondContact O-N 3.24Å
287	Q	53	Low	70.1	Confident	86 Å²	86	84.3 Å²	84.3	40%	0.402	50%	0.5	S	S	.	.			trans	-69.3	79.1	167.1	-49.2	-159.8	4.3	0	0	109.2	A284 G285 S289 L292	A284-Q287 WeakPolarHBondContact O-CG 3.3Å; G285-Q287 VanDerWaalsContact C-N 3.32Å; Q287-S289 VanDerWaalsContact C-N 3.34Å; Q287-S289 WeakPolarHBondContact O-CA 3.31Å; Q287-S289 PolarHBondContact O-N 2.73Å; Q287-L292 HydrophobicContact CB-CD1 3.91Å; Q287-L292 HydrophobicContact CG-CD1 3.64Å
288	F	52.4	Low	70	Confident	163 Å²	163	84.5 Å²	84.5	72%	0.715	50%	0.503	S	S	*	.			trans	-46.4	108.7	153.5	-77	-82.3	0	0	0	106	L286 G290 S291	L286-F288 HydrophobicContact CD2-CE2 4.12Å; L286-F288 PolarHBondContact O-N 3.24Å; F288-G290 PolarHBondContact O-N 3.36Å; F288-S291 PolarHBondContact O-N 3.29Å
289	S	55.2	Low	70.1	Confident	122 Å²	122	83.3 Å²	83.3	85%	0.853	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	0.9	-153.7	-79.9	0	0	0	0	117.4	Q287	Q287-S289 VanDerWaalsContact C-N 3.34Å; Q287-S289 WeakPolarHBondContact O-CA 3.31Å; Q287-S289 PolarHBondContact O-N 2.73Å
290	G	57.8	Low	70.4	Confident	45 Å²	45	84.1 Å²	84.1	46%	0.464	50%	0.497	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.3	-32.9	172.4	0	0	0	0	0	115.4	F288 L292 V293	F288-G290 PolarHBondContact O-N 3.36Å; G290-L292 PolarHBondContact O-N 3.47Å; G290-V293 PolarHBondContact O-N 3.02Å
291	S	56	Low	70.7	Confident	82 Å²	82	82.9 Å²	82.9	57%	0.573	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-20.6	-166.2	-174.4	0	0	0	0	114.6	F288 T294	F288-S291 PolarHBondContact O-N 3.29Å; S291-T294 PolarHBondContact O-OG1 3.07Å
292	L	63.4	Low	71.1	Confident	43 Å²	43	76.4 Å²	76.4	23%	0.225	45%	0.454	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-18.7	175.7	-62.6	172.2	0	0	0	112.4	V282 Q287 G290 T294 L295	V282-L292 HydrophobicContact CB-CD1 4.19Å; V282-L292 HydrophobicContact CG1-CD1 3.3Å; V282-L292 HydrophobicContact CG1-CD2 4.17Å; V282-L292 HydrophobicContact CG1-CG 4.38Å; V282-L292 HydrophobicContact CG2-CD2 4.39Å; Q287-L292 HydrophobicContact CB-CD1 3.91Å; Q287-L292 HydrophobicContact CG-CD1 3.64Å; G290-L292 PolarHBondContact O-N 3.47Å; L292-T294 PolarHBondContact O-N 3.19Å; L292-L295 HydrophobicContact CD2-CD1 3.5Å; L292-L295 HydrophobicContact CD2-CG 4.25Å; L292-L295 VanDerWaalsContact O-CB 3.29Å; L292-L295 WeakPolarHBondContact O-CB 3.5Å; L292-L295 PolarHBondContact O-N 3.28Å
293	V	68.4	Low	71.8	Confident	71 Å²	71	78.3 Å²	78.3	43%	0.43	46%	0.462	S	S	.	.	G	3₁₀ helix	trans	-62.3	-33.8	171.3	-176.7	0	0	0	0	109.7	G290 L295 R296	G290-V293 PolarHBondContact O-N 3.02Å; V293-L295 PolarHBondContact O-N 3.43Å; V293-R296 WeakPolarHBondContact O-CB 3.48Å; V293-R296 WeakPolarHBondContact O-CG 3.48Å; V293-R296 PolarHBondContact O-N 3.09Å
294	T	72.7	Confident	73.1	Confident	85 Å²	85	80 Å²	80	52%	0.521	46%	0.463	S	S	.	.	G	3₁₀ helix	trans	-64.1	-26.6	174.2	62.5	0	0	0	0	112.9	S291 L292 R296 V297	S291-T294 PolarHBondContact O-OG1 3.07Å; L292-T294 PolarHBondContact O-N 3.19Å; T294-R296 PolarHBondContact O-N 3.49Å; T294-V297 VanDerWaalsContact O-CB 3.27Å; T294-V297 WeakPolarHBondContact O-CB 3.17Å; T294-V297 WeakPolarHBondContact O-CG2 3.46Å; T294-V297 PolarHBondContact O-N 3.41Å
295	L	77.6	Confident	74.4	Confident	43 Å²	43	75.9 Å²	75.9	23%	0.225	43%	0.428	C	S	.	.	G	3₁₀ helix	trans	-63.5	-22.3	173.7	-61.9	-177.5	0	0	0	112.5	I278 L292 V293 V297 F298	I278-L295 HydrophobicContact CG2-CD1 3.65Å; L292-L295 HydrophobicContact CD2-CD1 3.5Å; L292-L295 HydrophobicContact CD2-CG 4.25Å; L292-L295 VanDerWaalsContact O-CB 3.29Å; L292-L295 WeakPolarHBondContact O-CB 3.5Å; L292-L295 PolarHBondContact O-N 3.28Å; V293-L295 PolarHBondContact O-N 3.43Å; L295-V297 PolarHBondContact O-N 3.35Å; L295-F298 HydrophobicContact CB-CD2 4.35Å; L295-F298 HydrophobicContact CD2-CD2 3.74Å; L295-F298 HydrophobicContact CD2-CE2 3.54Å; L295-F298 WeakPolarHBondContact O-CB 3.44Å; L295-F298 PolarHBondContact O-N 3.18Å
296	R	80.3	Confident	76	Confident	104 Å²	104	76.1 Å²	76.1	39%	0.392	41%	0.406	S	S	.	.	G	3₁₀ helix	trans	-61.1	-28	174	-60.9	-172.7	-174	-175.5	12.9	111.7	E206 V293 T294 F298 R299	E206-R296 IonicContact OE1-CZ 3.9Å; E206-R296 IonicContact OE1-NH1 3.84Å; E206-R296 PolarHBondContact OE1-NH1 3.31Å; V293-R296 WeakPolarHBondContact O-CB 3.48Å; V293-R296 WeakPolarHBondContact O-CG 3.48Å; V293-R296 PolarHBondContact O-N 3.09Å; T294-R296 PolarHBondContact O-N 3.49Å; R296-F298 PolarHBondContact O-N 3.49Å; R296-R299 WeakPolarHBondContact O-CB 3.06Å; R296-R299 VanDerWaalsContact O-CG 3.32Å; R296-R299 WeakPolarHBondContact O-CG 3.15Å; R296-R299 PolarHBondContact O-N 3.46Å
297	V	83.7	Confident	77.6	Confident	98 Å²	98	71.9 Å²	71.9	59%	0.594	39%	0.385	S	S	*	.	G	3₁₀ helix	trans	-58.3	-36.2	175.2	179	0	0	0	0	110.7	T294 L295 R299 V300	T294-V297 VanDerWaalsContact O-CB 3.27Å; T294-V297 WeakPolarHBondContact O-CB 3.17Å; T294-V297 WeakPolarHBondContact O-CG2 3.46Å; T294-V297 PolarHBondContact O-N 3.41Å; L295-V297 PolarHBondContact O-N 3.35Å; V297-R299 PolarHBondContact O-N 3.4Å; V297-R299 VanDerWaalsContact O-N 3.13Å; V297-V300 WeakPolarHBondContact O-CB 3.15Å; V297-V300 WeakPolarHBondContact O-CG1 3.21Å; V297-V300 PolarHBondContact O-N 2.91Å
298	F	88.5	Confident	79.2	Confident	90 Å²	90	69.2 Å²	69.2	40%	0.395	37%	0.371	S	S	.	.	G	3₁₀ helix	trans	-65.4	-16.6	178.6	-62.3	-50.2	0	0	0	114	P275 L295 R296 V300 F301	P275-F298 HydrophobicContact CB-CB 4.17Å; P275-F298 HydrophobicContact CG-CB 3.66Å; L295-F298 HydrophobicContact CB-CD2 4.35Å; L295-F298 HydrophobicContact CD2-CD2 3.74Å; L295-F298 HydrophobicContact CD2-CE2 3.54Å; L295-F298 WeakPolarHBondContact O-CB 3.44Å; L295-F298 PolarHBondContact O-N 3.18Å; R296-F298 PolarHBondContact O-N 3.49Å; F298-V300 PolarHBondContact O-N 3.2Å; F298-F301 HydrophobicContact CB-CD2 4.15Å; F298-F301 HydrophobicContact CB-CE2 4.32Å; F298-F301 AromaticContact CD1-CD2 3.88Å; F298-F301 HydrophobicContact CD1-CD2 3.88Å; F298-F301 AromaticContact CD1-CE2 3.19Å; F298-F301 HydrophobicContact CD1-CE2 3.19Å; F298-F301 AromaticContact CD1-CZ 3.64Å; F298-F301 HydrophobicContact CD1-CZ 3.64Å; F298-F301 AromaticContact CE1-CE2 3.76Å; F298-F301 HydrophobicContact CE1-CE2 3.76Å; F298-F301 AromaticContact CE1-CZ 3.99Å; F298-F301 HydrophobicContact CE1-CZ 3.99Å; F298-F301 HydrophobicContact CG-CD2 4.44Å; F298-F301 HydrophobicContact CG-CE2 4.12Å; F298-F301 VanDerWaalsContact O-CB 3.31Å; F298-F301 WeakPolarHBondContact O-CB 3.38Å; F298-F301 PolarHBondContact O-N 2.79Å
299	R	88.9	Confident	80.9	Confident	34 Å²	34	62.4 Å²	62.4	13%	0.128	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-59.1	-25.6	170.6	-63.1	177.1	176.7	160.1	0.3	111.8	N203 E206 D236 P275 R296 V297 F301 R302	N203-R299 PolarHBondContact ND2-O 2.76Å; E206-R299 VanDerWaalsContact CD-NH1 3.28Å; E206-R299 IonicContact OE1-NH1 2.61Å; E206-R299 PolarHBondContact OE1-NH1 3.38Å; E206-R299 IonicContact OE2-CZ 2.89Å; E206-R299 IonicContact OE2-NH1 3.67Å; E206-R299 PolarHBondContact OE2-NH1 3.5Å; D236-R299 IonicContact OD2-CZ 2.71Å; D236-R299 IonicContact OD2-NE 3.05Å; D236-R299 IonicContact OD2-NH2 3.92Å; P275-R299 HydrophobicContact CB-CG 4.25Å; R296-R299 WeakPolarHBondContact O-CB 3.06Å; R296-R299 VanDerWaalsContact O-CG 3.32Å; R296-R299 WeakPolarHBondContact O-CG 3.15Å; R296-R299 PolarHBondContact O-N 3.46Å; V297-R299 PolarHBondContact O-N 3.4Å; V297-R299 VanDerWaalsContact O-N 3.13Å; R299-F301 PolarHBondContact O-N 2.86Å; R299-R302 WeakPolarHBondContact O-CB 3.29Å; R299-R302 VanDerWaalsContact O-CG 3.32Å; R299-R302 WeakPolarHBondContact O-CG 3.38Å; R299-R302 PolarHBondContact O-N 2.72Å
300	V	89.8	Confident	82.4	Confident	77 Å²	77	58 Å²	58	47%	0.467	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-61.7	-28.8	176.1	83.8	0	0	0	0	111.9	V297 F298 R302 I303	V297-V300 WeakPolarHBondContact O-CB 3.15Å; V297-V300 WeakPolarHBondContact O-CG1 3.21Å; V297-V300 PolarHBondContact O-N 2.91Å; F298-V300 PolarHBondContact O-N 3.2Å; V300-R302 PolarHBondContact O-N 2.94Å; V300-I303 WeakPolarHBondContact O-CB 3.32Å; V300-I303 WeakPolarHBondContact O-CG2 3.43Å; V300-I303 PolarHBondContact O-N 2.85Å
301	F	91	Very high	83.5	Confident	73 Å²	73	60.2 Å²	60.2	32%	0.32	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-61.7	-19.1	-179.4	-66	-21.3	0	0	0	113.6	F298 R299 I303 F304	F298-F301 HydrophobicContact CB-CD2 4.15Å; F298-F301 HydrophobicContact CB-CE2 4.32Å; F298-F301 AromaticContact CD1-CD2 3.88Å; F298-F301 HydrophobicContact CD1-CD2 3.88Å; F298-F301 AromaticContact CD1-CE2 3.19Å; F298-F301 HydrophobicContact CD1-CE2 3.19Å; F298-F301 AromaticContact CD1-CZ 3.64Å; F298-F301 HydrophobicContact CD1-CZ 3.64Å; F298-F301 AromaticContact CE1-CE2 3.76Å; F298-F301 HydrophobicContact CE1-CE2 3.76Å; F298-F301 AromaticContact CE1-CZ 3.99Å; F298-F301 HydrophobicContact CE1-CZ 3.99Å; F298-F301 HydrophobicContact CG-CD2 4.44Å; F298-F301 HydrophobicContact CG-CE2 4.12Å; F298-F301 VanDerWaalsContact O-CB 3.31Å; F298-F301 WeakPolarHBondContact O-CB 3.38Å; F298-F301 PolarHBondContact O-N 2.79Å; R299-F301 PolarHBondContact O-N 2.86Å; F301-I303 PolarHBondContact O-N 3.47Å; F301-I303 VanDerWaalsContact O-N 3.15Å; F301-F304 HydrophobicContact CB-CD2 4.09Å; F301-F304 HydrophobicContact CB-CE2 4.46Å; F301-F304 HydrophobicContact CD1-CD2 4.05Å; F301-F304 AromaticContact CD1-CE2 3.55Å; F301-F304 HydrophobicContact CD1-CE2 3.55Å; F301-F304 HydrophobicContact CE1-CE2 4.13Å; F301-F304 HydrophobicContact CG-CD2 4.39Å; F301-F304 HydrophobicContact CG-CE2 4.31Å; F301-F304 WeakPolarHBondContact O-CB 3.45Å; F301-F304 WeakPolarHBondContact O-CD2 3.43Å; F301-F304 PolarHBondContact O-N 2.94Å
302	R	91.9	Very high	84.8	Confident	2 Å²	2	58.3 Å²	58.3	1%	0.008	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-55.3	-28.9	169.8	-66.2	176.1	-172.4	174.2	7	112.8	D236 A272 R299 V300 F304 K305	D236-R302 IonicContact OD1-CZ 2.71Å; D236-R302 IonicContact OD1-NH1 2.89Å; D236-R302 PolarHBondContact OD1-NH1 2.94Å; D236-R302 IonicContact OD1-NH2 3.35Å; D236-R302 PolarHBondContact OD1-NH2 2.73Å; D236-R302 IonicContact OD2-NH2 3.25Å; A272-R302 HydrophobicContact CB-CB 4.34Å; A272-R302 HydrophobicContact CB-CG 3.87Å; A272-R302 WeakPolarHBondContact O-CG 3.41Å; A272-R302 PolarHBondContact O-NE 3.38Å; R299-R302 WeakPolarHBondContact O-CB 3.29Å; R299-R302 VanDerWaalsContact O-CG 3.32Å; R299-R302 WeakPolarHBondContact O-CG 3.38Å; R299-R302 PolarHBondContact O-N 2.72Å; V300-R302 PolarHBondContact O-N 2.94Å; R302-F304 PolarHBondContact O-N 2.97Å; R302-K305 WeakPolarHBondContact O-CB 3.44Å; R302-K305 PolarHBondContact O-N 3.41Å
303	I	92.9	Very high	85.8	Confident	79 Å²	79	59.8 Å²	59.8	41%	0.405	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-59.7	-31.1	176	-159.1	169.6	0	0	0	112	V200 V300 F301 K305 F306	V200-I303 HydrophobicContact CG1-CD1 4.38Å; V200-I303 HydrophobicContact CG2-CB 4.03Å; V200-I303 HydrophobicContact CG2-CD1 4.47Å; V200-I303 HydrophobicContact CG2-CG1 4.06Å; V300-I303 WeakPolarHBondContact O-CB 3.32Å; V300-I303 WeakPolarHBondContact O-CG2 3.43Å; V300-I303 PolarHBondContact O-N 2.85Å; F301-I303 PolarHBondContact O-N 3.47Å; F301-I303 VanDerWaalsContact O-N 3.15Å; I303-K305 PolarHBondContact O-N 2.91Å; I303-F306 WeakPolarHBondContact O-CB 3.44Å; I303-F306 PolarHBondContact O-N 3.33Å
304	F	92.2	Very high	86.7	Confident	110 Å²	110	60.3 Å²	60.3	48%	0.482	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-66.7	-22	178.5	-64.9	-55.2	0	0	0	112.7	I268 F301 R302 F306 S307	I268-F304 HydrophobicContact CG1-CB 4.45Å; I268-F304 VanDerWaalsContact CG2-C 3.47Å; I268-F304 HydrophobicContact CG2-CB 3.89Å; F301-F304 HydrophobicContact CB-CD2 4.09Å; F301-F304 HydrophobicContact CB-CE2 4.46Å; F301-F304 HydrophobicContact CD1-CD2 4.05Å; F301-F304 AromaticContact CD1-CE2 3.55Å; F301-F304 HydrophobicContact CD1-CE2 3.55Å; F301-F304 HydrophobicContact CE1-CE2 4.13Å; F301-F304 HydrophobicContact CG-CD2 4.39Å; F301-F304 HydrophobicContact CG-CE2 4.31Å; F301-F304 WeakPolarHBondContact O-CB 3.45Å; F301-F304 WeakPolarHBondContact O-CD2 3.43Å; F301-F304 PolarHBondContact O-N 2.94Å; R302-F304 PolarHBondContact O-N 2.97Å; F304-F306 PolarHBondContact O-N 2.94Å; F304-F306 VanDerWaalsContact O-N 3.16Å; F304-S307 WeakPolarHBondContact O-CB 3.32Å; F304-S307 PolarHBondContact O-N 2.84Å; F304-S307 PolarHBondContact O-OG 3.15Å
305	K	92.4	Very high	87.1	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-58.6	-26.2	172.1	-167.5	174	162.9	136.3	0	112	I196 F243 E246 I268 D269 A272 R302 I303 S307 R308	I196-K305 HydrophobicContact CD1-CB 3.89Å; I196-K305 HydrophobicContact CD1-CD 4Å; I196-K305 HydrophobicContact CD1-CG 3.7Å; I196-K305 HydrophobicContact CG1-CB 4.26Å; I196-K305 HydrophobicContact CG1-CD 4.05Å; I196-K305 HydrophobicContact CG1-CG 4.24Å; F243-K305 HydrophobicContact CD1-CD 4.09Å; F243-K305 VanDerWaalsContact CD1-CE 3.47Å; F243-K305 HydrophobicContact CD2-CD 4.3Å; F243-K305 HydrophobicContact CE1-CD 4.09Å; F243-K305 HydrophobicContact CE2-CD 4.32Å; F243-K305 HydrophobicContact CG-CD 4.19Å; F243-K305 HydrophobicContact CZ-CD 4.22Å; E246-K305 WeakPolarHBondContact OE1-CE 3.38Å; E246-K305 IonicContact OE1-NZ 3.76Å; E246-K305 PolarHBondContact OE1-NZ 2.82Å; E246-K305 WeakPolarHBondContact OE2-CE 3.33Å; E246-K305 IonicContact OE2-NZ 2.83Å; E246-K305 PolarHBondContact OE2-NZ 3.42Å; I268-K305 HydrophobicContact CG2-CB 4.36Å; D269-K305 IonicContact OD1-NZ 4Å; D269-K305 PolarHBondContact OD1-NZ 2.98Å; A272-K305 HydrophobicContact CB-CD 4.5Å; R302-K305 WeakPolarHBondContact O-CB 3.44Å; R302-K305 PolarHBondContact O-N 3.41Å; I303-K305 PolarHBondContact O-N 2.91Å; K305-S307 PolarHBondContact O-N 3.04Å; K305-S307 VanDerWaalsContact O-N 3.11Å; K305-R308 VanDerWaalsContact CG-NH2 3.29Å; K305-R308 PolarHBondContact O-N 2.91Å
306	F	91.6	Very high	87.5	Confident	87 Å²	87	58.7 Å²	58.7	38%	0.382	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-58.2	-22.3	172.2	-165.8	-104.9	0	0	0	113.1	I196 I303 F304 R308 H309 S310 L313	I196-F306 HydrophobicContact CG2-CB 4.37Å; I303-F306 WeakPolarHBondContact O-CB 3.44Å; I303-F306 PolarHBondContact O-N 3.33Å; F304-F306 PolarHBondContact O-N 2.94Å; F304-F306 VanDerWaalsContact O-N 3.16Å; F306-R308 PolarHBondContact O-N 2.63Å; F306-H309 HydrophobicContact CD2-CB 4.29Å; F306-H309 HydrophobicContact CE2-CB 4.41Å; F306-H309 CarbonylContact O-C 3.51Å; F306-H309 WeakPolarHBondContact O-CA 3.29Å; F306-H309 PolarHBondContact O-N 3.35Å; F306-S310 PolarHBondContact O-N 3.14Å; F306-S310 VanDerWaalsContact O-N 3.14Å; F306-L313 HydrophobicContact CD1-CD1 3.53Å; F306-L313 HydrophobicContact CE1-CD1 4.09Å
307	S	89.3	Confident	87.8	Confident	15 Å²	15	55.6 Å²	55.6	11%	0.105	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-56.9	-29.4	173.1	65.5	0	0	0	0	113.3	F304 K305 H309 S310 R314	F304-S307 WeakPolarHBondContact O-CB 3.32Å; F304-S307 PolarHBondContact O-N 2.84Å; F304-S307 PolarHBondContact O-OG 3.15Å; K305-S307 PolarHBondContact O-N 3.04Å; K305-S307 VanDerWaalsContact O-N 3.11Å; S307-H309 VanDerWaalsContact C-N 3.35Å; S307-S310 PolarHBondContact O-N 3.29Å; S307-R314 WeakPolarHBondContact O-CG 3.42Å
308	R	87.4	Confident	87.8	Confident	30 Å²	30	58.5 Å²	58.5	11%	0.113	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-73.3	-29.7	173.5	-74.4	-153.2	-59.3	-82.4	-5.9	113.5	E246 R250 M265 D269 K305 F306 S310	E246-R308 IonicContact OE1-CZ 2.9Å; E246-R308 IonicContact OE1-NE 3.12Å; E246-R308 IonicContact OE1-NH2 3.21Å; E246-R308 PolarHBondContact OE1-NH2 3.38Å; R250-R308 VanDerWaalsContact CZ-NE 3.31Å; R250-R308 VanDerWaalsContact NH1-NE 3.11Å; M265-R308 PolarHBondContact O-NH1 3.43Å; M265-R308 HydrophobicContact SD-CG 3.67Å; D269-R308 VanDerWaalsContact CG-CZ 3.47Å; D269-R308 IonicContact OD1-CZ 2.81Å; D269-R308 IonicContact OD1-NH1 3.33Å; D269-R308 PolarHBondContact OD1-NH1 3.41Å; D269-R308 IonicContact OD1-NH2 2.86Å; D269-R308 PolarHBondContact OD1-NH2 2.65Å; D269-R308 IonicContact OD2-CZ 2.62Å; D269-R308 VanDerWaalsContact OD2-CZ 3.25Å; D269-R308 IonicContact OD2-NH1 2.65Å; D269-R308 PolarHBondContact OD2-NH1 3.16Å; D269-R308 IonicContact OD2-NH2 3.74Å; D269-R308 PolarHBondContact OD2-NH2 3.28Å; K305-R308 VanDerWaalsContact CG-NH2 3.29Å; K305-R308 PolarHBondContact O-N 2.91Å; F306-R308 PolarHBondContact O-N 2.63Å; R308-S310 VanDerWaalsContact C-N 3.25Å
309	H	87.8	Confident	87.5	Confident	20 Å²	20	54.4 Å²	54.4	9%	0.093	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-85.5	0.6	177.5	-57.6	-75.2	0	0	0	113.1	Y189 T192 I196 F306 S307	Y189-H309 AromaticContact CD2-CE1 3.86Å; Y189-H309 AromaticContact CD2-ND1 3.38Å; Y189-H309 WeakPolarHBondContact CD2-ND1 3.3Å; Y189-H309 HydrophobicContact CE2-CB 4.14Å; Y189-H309 AromaticContact CE2-CG 3.97Å; Y189-H309 AromaticContact CE2-ND1 3.17Å; Y189-H309 WeakPolarHBondContact CE2-ND1 3.33Å; Y189-H309 AromaticContact CG-ND1 3.91Å; Y189-H309 AromaticContact CZ-ND1 3.53Å; Y189-H309 PolarHBondContact O-CE1 3.18Å; Y189-H309 VanDerWaalsContact O-CE1 3.25Å; Y189-H309 PolarHBondContact O-ND1 2.93Å; Y189-H309 WeakPolarHBondContact OH-CA 3.4Å; Y189-H309 PolarHBondContact OH-O 3.11Å; T192-H309 PolarHBondContact OG1-CE1 3.07Å; I196-H309 WeakPolarHBondContact CD1-CD2 3.28Å; I196-H309 WeakPolarHBondContact CD1-NE2 3.4Å; F306-H309 HydrophobicContact CD2-CB 4.29Å; F306-H309 HydrophobicContact CE2-CB 4.41Å; F306-H309 CarbonylContact O-C 3.51Å; F306-H309 WeakPolarHBondContact O-CA 3.29Å; F306-H309 PolarHBondContact O-N 3.35Å; S307-H309 VanDerWaalsContact C-N 3.35Å
310	S	87.4	Confident	87.4	Confident	31 Å²	31	57.1 Å²	57.1	22%	0.217	29%	0.293	C	S	.	.			trans	-135.1	105.5	179.1	175.9	0	0	0	0	110.2	F306 S307 R308 G312 L313 R314	F306-S310 PolarHBondContact O-N 3.14Å; F306-S310 VanDerWaalsContact O-N 3.14Å; S307-S310 PolarHBondContact O-N 3.29Å; R308-S310 VanDerWaalsContact C-N 3.25Å; S310-G312 PolarHBondContact O-N 3.2Å; S310-G312 PolarHBondContact OG-N 2.98Å; S310-L313 PolarHBondContact O-N 3.44Å; S310-L313 PolarHBondContact OG-N 3.31Å; S310-L313 VanDerWaalsContact OG-N 3.15Å; S310-R314 PolarHBondContact O-N 2.89Å
311	Q	80.2	Confident	87.2	Confident	91 Å²	91	61.5 Å²	61.5	43%	0.425	31%	0.306	S	S	.	.	H	α-helix	trans	-56.4	-34.3	169.9	-171	178.8	8.4	0	0	111.5	R314 I315 N423	Q311-R314 PolarHBondContact O-N 3.43Å; Q311-I315 HydrophobicContact CG-CD1 3.98Å; Q311-I315 HydrophobicContact CG-CG1 4.48Å; Q311-I315 VanDerWaalsContact O-CG1 3.32Å; Q311-I315 WeakPolarHBondContact O-CG1 3.33Å; Q311-I315 PolarHBondContact O-N 2.91Å; Q311-N423 PolarHBondContact NE2-ND2 3.26Å
312	G	82.4	Confident	86.8	Confident	41 Å²	41	61.6 Å²	61.6	42%	0.423	32%	0.316	S	S	.	.	H	α-helix	trans	-60.7	-44.7	176.6	0	0	0	0	0	113	S310 R314 I315 L316	S310-G312 PolarHBondContact O-N 3.2Å; S310-G312 PolarHBondContact OG-N 2.98Å; G312-R314 VanDerWaalsContact C-N 3.33Å; G312-R314 PolarHBondContact O-N 3.23Å; G312-I315 PolarHBondContact O-N 3.5Å; G312-L316 WeakPolarHBondContact O-CB 3.39Å; G312-L316 PolarHBondContact O-N 2.96Å
313	L	86	Confident	86.5	Confident	74 Å²	74	61.9 Å²	61.9	39%	0.387	32%	0.318	S	S	.	.	H	α-helix	trans	-64.7	-36.8	176.6	-83	162.2	0	0	0	112.3	F306 S310 L316 G317	F306-L313 HydrophobicContact CD1-CD1 3.53Å; F306-L313 HydrophobicContact CE1-CD1 4.09Å; S310-L313 PolarHBondContact O-N 3.44Å; S310-L313 PolarHBondContact OG-N 3.31Å; S310-L313 VanDerWaalsContact OG-N 3.15Å; L313-L316 PolarHBondContact O-N 3.11Å; L313-G317 PolarHBondContact O-N 3Å
314	R	85.6	Confident	86.2	Confident	83 Å²	83	60.6 Å²	60.6	31%	0.313	32%	0.319	S	S	.	.	H	α-helix	trans	-63.6	-47.1	173.9	-60.7	-171.2	-81.7	165.9	-3.1	111.3	M265 S307 S310 Q311 G312 L316 G317 Y318	M265-R314 HydrophobicContact CE-CB 4.44Å; M265-R314 HydrophobicContact CE-CG 3.6Å; S307-R314 WeakPolarHBondContact O-CG 3.42Å; S310-R314 PolarHBondContact O-N 2.89Å; Q311-R314 PolarHBondContact O-N 3.43Å; G312-R314 VanDerWaalsContact C-N 3.33Å; G312-R314 PolarHBondContact O-N 3.23Å; R314-L316 VanDerWaalsContact C-N 3.32Å; R314-L316 PolarHBondContact O-N 2.83Å; R314-G317 PolarHBondContact O-N 2.84Å; R314-Y318 HydrophobicContact CB-CE2 4.4Å; R314-Y318 WeakPolarHBondContact O-CD2 3.5Å; R314-Y318 PolarHBondContact O-N 3.5Å
315	I	81.6	Confident	86	Confident	22 Å²	22	63.5 Å²	63.5	11%	0.113	33%	0.334	C	S	.	.	H	α-helix	trans	-61.7	-42.4	177.6	-66.7	166.5	0	0	0	110.6	Q311 G312 G317 Y318 T319 Y416 K419	Q311-I315 HydrophobicContact CG-CD1 3.98Å; Q311-I315 HydrophobicContact CG-CG1 4.48Å; Q311-I315 VanDerWaalsContact O-CG1 3.32Å; Q311-I315 WeakPolarHBondContact O-CG1 3.33Å; Q311-I315 PolarHBondContact O-N 2.91Å; G312-I315 PolarHBondContact O-N 3.5Å; I315-G317 PolarHBondContact O-N 3.15Å; I315-Y318 PolarHBondContact O-N 3.25Å; I315-T319 WeakPolarHBondContact O-CB 3.5Å; I315-T319 PolarHBondContact O-N 3.41Å; I315-T319 PolarHBondContact O-OG1 3.38Å; I315-Y416 HydrophobicContact CG2-CD2 4.23Å; I315-K419 HydrophobicContact CD1-CG 4.08Å; I315-K419 HydrophobicContact CG1-CG 4.39Å
316	L	85.5	Confident	85.8	Confident	72 Å²	72	67.1 Å²	67.1	38%	0.377	35%	0.351	S	S	.	.	H	α-helix	trans	-58	-48.4	174.5	179.9	63.8	0	0	0	111.3	G312 L313 R314 Y318 T319 L320 F412	G312-L316 WeakPolarHBondContact O-CB 3.39Å; G312-L316 PolarHBondContact O-N 2.96Å; L313-L316 PolarHBondContact O-N 3.11Å; R314-L316 VanDerWaalsContact C-N 3.32Å; R314-L316 PolarHBondContact O-N 2.83Å; L316-Y318 PolarHBondContact O-N 3.33Å; L316-T319 PolarHBondContact O-N 3.47Å; L316-T319 VanDerWaalsContact O-N 3.12Å; L316-L320 HydrophobicContact CD1-CD1 4.48Å; L316-L320 HydrophobicContact CD1-CG 4.36Å; L316-L320 HydrophobicContact CG-CD1 4.25Å; L316-L320 WeakPolarHBondContact O-CG 3.41Å; L316-L320 PolarHBondContact O-N 3.25Å; L316-F412 HydrophobicContact CB-CE2 4.49Å; L316-F412 HydrophobicContact CD1-CD2 4.25Å; L316-F412 HydrophobicContact CD1-CE2 3.72Å
317	G	87.1	Confident	85.6	Confident	39 Å²	39	66 Å²	66	40%	0.402	35%	0.349	S	S	.	.	H	α-helix	trans	-59.4	-43.8	176.9	0	0	0	0	0	113.3	L313 R314 I315 T319 L320 K321	L313-G317 PolarHBondContact O-N 3Å; R314-G317 PolarHBondContact O-N 2.84Å; I315-G317 PolarHBondContact O-N 3.15Å; G317-T319 VanDerWaalsContact C-N 3.3Å; G317-T319 PolarHBondContact O-N 3.32Å; G317-L320 PolarHBondContact O-N 2.97Å; G317-K321 PolarHBondContact O-N 3.48Å
318	Y	83.9	Confident	85.6	Confident	159 Å²	159	67 Å²	67	62%	0.624	36%	0.362	S	S	*	.	H	α-helix	trans	-63.3	-37.5	174.3	-73.6	-60.7	0	0	0	112.5	R314 I315 L316 K321 S322	R314-Y318 HydrophobicContact CB-CE2 4.4Å; R314-Y318 WeakPolarHBondContact O-CD2 3.5Å; R314-Y318 PolarHBondContact O-N 3.5Å; I315-Y318 PolarHBondContact O-N 3.25Å; L316-Y318 PolarHBondContact O-N 3.33Å; Y318-K321 PolarHBondContact O-N 3.02Å; Y318-S322 WeakPolarHBondContact O-CB 3.28Å; Y318-S322 PolarHBondContact O-N 2.96Å
319	T	83.3	Confident	85.7	Confident	4 Å²	4	72.5 Å²	72.5	3%	0.025	39%	0.387	C	S	.	.	H	α-helix	trans	-70	-43.2	179.4	-48.3	0	0	0	0	111.4	I315 L316 G317 K321 S322 C323 F412 I415	I315-T319 WeakPolarHBondContact O-CB 3.5Å; I315-T319 PolarHBondContact O-N 3.41Å; I315-T319 PolarHBondContact O-OG1 3.38Å; L316-T319 PolarHBondContact O-N 3.47Å; L316-T319 VanDerWaalsContact O-N 3.12Å; G317-T319 VanDerWaalsContact C-N 3.3Å; G317-T319 PolarHBondContact O-N 3.32Å; T319-K321 VanDerWaalsContact C-N 3.29Å; T319-K321 PolarHBondContact O-N 3.35Å; T319-S322 CarbonylContact O-C 3.57Å; T319-S322 WeakPolarHBondContact O-CB 3.05Å; T319-S322 PolarHBondContact O-N 3.08Å; T319-S322 VanDerWaalsContact O-N 3.08Å; T319-C323 PolarHBondContact O-N 3.36Å; T319-C323 PolarHBondContact O-SG 3.04Å; T319-F412 HydrophobicContact CG2-CB 3.93Å; T319-F412 HydrophobicContact CG2-CD2 3.55Å; T319-F412 HydrophobicContact CG2-CE2 4.49Å; T319-F412 HydrophobicContact CG2-CG 4.15Å; T319-I415 HydrophobicContact CG2-CB 4.44Å; T319-I415 HydrophobicContact CG2-CD1 3.71Å
320	L	85.9	Confident	85.8	Confident	91 Å²	91	72.6 Å²	72.6	48%	0.476	39%	0.388	S	S	.	.	H	α-helix	trans	-59.9	-41.5	174.2	-71.2	174.6	0	0	0	111.3	L316 G317 S322 C323 A324	L316-L320 HydrophobicContact CD1-CD1 4.48Å; L316-L320 HydrophobicContact CD1-CG 4.36Å; L316-L320 HydrophobicContact CG-CD1 4.25Å; L316-L320 WeakPolarHBondContact O-CG 3.41Å; L316-L320 PolarHBondContact O-N 3.25Å; G317-L320 PolarHBondContact O-N 2.97Å; L320-S322 VanDerWaalsContact C-N 3.32Å; L320-S322 PolarHBondContact O-N 2.92Å; L320-C323 CarbonylContact O-C 3.47Å; L320-C323 PolarHBondContact O-N 3.23Å; L320-A324 WeakPolarHBondContact O-CA 3.13Å; L320-A324 PolarHBondContact O-N 3.49Å
321	K	86.5	Confident	86	Confident	168 Å²	168	75.5 Å²	75.5	73%	0.73	40%	0.4	S	S	*	.	H	α-helix	trans	-61.8	-40.8	173.3	-176.3	178.8	178	-177.4	0	111.9	G317 Y318 T319 C323 A324	G317-K321 PolarHBondContact O-N 3.48Å; Y318-K321 PolarHBondContact O-N 3.02Å; T319-K321 VanDerWaalsContact C-N 3.29Å; T319-K321 PolarHBondContact O-N 3.35Å; K321-C323 VanDerWaalsContact C-N 3.3Å; K321-A324 WeakPolarHBondContact O-CB 3.36Å; K321-A324 PolarHBondContact O-N 2.69Å
322	S	82.6	Confident	86.6	Confident	76 Å²	76	78 Å²	78	53%	0.531	41%	0.41	S	S	.	.	H	α-helix	trans	-70.2	-25.9	179	-172.5	0	0	0	0	113.4	Y318 T319 L320	Y318-S322 WeakPolarHBondContact O-CB 3.28Å; Y318-S322 PolarHBondContact O-N 2.96Å; T319-S322 CarbonylContact O-C 3.57Å; T319-S322 WeakPolarHBondContact O-CB 3.05Å; T319-S322 PolarHBondContact O-N 3.08Å; T319-S322 VanDerWaalsContact O-N 3.08Å; L320-S322 VanDerWaalsContact C-N 3.32Å; L320-S322 PolarHBondContact O-N 2.92Å
323	C	84.6	Confident	86.9	Confident	7 Å²	7	78 Å²	78	5%	0.047	40%	0.404	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107	18.5	178.9	-49.9	0	0	0	0	111.9	T319 L320 K321 E325 E326 L327	T319-C323 PolarHBondContact O-N 3.36Å; T319-C323 PolarHBondContact O-SG 3.04Å; L320-C323 CarbonylContact O-C 3.47Å; L320-C323 PolarHBondContact O-N 3.23Å; K321-C323 VanDerWaalsContact C-N 3.3Å; C323-E325 VanDerWaalsContact C-N 3.27Å; C323-E325 PolarHBondContact O-N 3.47Å; C323-E326 VanDerWaalsContact C-OE2 3.23Å; C323-E326 WeakPolarHBondContact CA-OE2 3.5Å; C323-E326 PolarHBondContact O-N 2.95Å; C323-L327 WeakPolarHBondContact O-CB 3.36Å; C323-L327 PolarHBondContact O-N 3.49Å
324	A	87.5	Confident	87.3	Confident	53 Å²	53	76.1 Å²	76.1	44%	0.438	39%	0.394	S	S	.	.	H	α-helix	trans	-67.6	-31.9	-171.7	0	0	0	0	0	111.7	L320 K321 G328	L320-A324 WeakPolarHBondContact O-CA 3.13Å; L320-A324 PolarHBondContact O-N 3.49Å; K321-A324 WeakPolarHBondContact O-CB 3.36Å; K321-A324 PolarHBondContact O-N 2.69Å; A324-G328 PolarHBondContact O-N 2.98Å
325	E	88.4	Confident	87.7	Confident	171 Å²	171	75.8 Å²	75.8	80%	0.799	40%	0.401	S	S	*	.	H	α-helix	trans	-68.1	-47.1	177.7	-171.8	176.1	173.9	0	0	111	C323 L327 G328 F329	C323-E325 VanDerWaalsContact C-N 3.27Å; C323-E325 PolarHBondContact O-N 3.47Å; E325-L327 PolarHBondContact O-N 3.44Å; E325-G328 PolarHBondContact O-N 3.29Å; E325-F329 PolarHBondContact O-N 3.36Å
326	E	86.3	Confident	88.3	Confident	75 Å²	75	78.8 Å²	78.8	35%	0.35	42%	0.417	S	S	.	.	H	α-helix	trans	-65.8	-38.8	177.1	-60.1	93.7	146.3	0	0	111.9	C323 F329 L330	C323-E326 VanDerWaalsContact C-OE2 3.23Å; C323-E326 WeakPolarHBondContact CA-OE2 3.5Å; C323-E326 PolarHBondContact O-N 2.95Å; E326-F329 PolarHBondContact O-N 3.43Å; E326-L330 PolarHBondContact O-N 3.45Å
327	L	88.2	Confident	88.8	Confident	63 Å²	63	76.3 Å²	76.3	33%	0.33	41%	0.405	S	S	.	.	H	α-helix	trans	-65.9	-39.5	174.1	-177.3	61.7	0	0	0	111.6	C323 E325 L330 L331	C323-L327 WeakPolarHBondContact O-CB 3.36Å; C323-L327 PolarHBondContact O-N 3.49Å; E325-L327 PolarHBondContact O-N 3.44Å; L327-L330 HydrophobicContact CD1-CD2 4.27Å; L327-L330 PolarHBondContact O-N 2.55Å; L327-L331 HydrophobicContact CD1-CD1 4.5Å; L327-L331 HydrophobicContact CD1-CG 4.41Å; L327-L331 HydrophobicContact CG-CD1 4.2Å; L327-L331 WeakPolarHBondContact O-CG 3.22Å; L327-L331 PolarHBondContact O-N 2.86Å
328	G	90.4	Very high	89.2	Confident	37 Å²	37	75 Å²	75	38%	0.381	39%	0.389	S	S	.	.	H	α-helix	trans	-61.2	-45.3	175.8	0	0	0	0	0	111.9	A324 E325 L331 F332	A324-G328 PolarHBondContact O-N 2.98Å; E325-G328 PolarHBondContact O-N 3.29Å; G328-L331 PolarHBondContact O-N 3.43Å; G328-F332 WeakPolarHBondContact O-CB 3.18Å; G328-F332 PolarHBondContact O-N 2.88Å
329	F	88.8	Confident	89.9	Confident	146 Å²	146	72.1 Å²	72.1	64%	0.64	38%	0.383	S	S	*	.	H	α-helix	trans	-62	-44.1	174.9	-178.6	-100.4	0	0	0	112.3	E325 E326 F332 S333	E325-F329 PolarHBondContact O-N 3.36Å; E326-F329 PolarHBondContact O-N 3.43Å; F329-F332 PolarHBondContact O-N 2.91Å; F329-S333 WeakPolarHBondContact O-CB 3.41Å; F329-S333 PolarHBondContact O-N 3.32Å
330	L	89.6	Confident	90.5	Very high	21 Å²	21	76.1 Å²	76.1	11%	0.11	40%	0.404	C	S	.	.	H	α-helix	trans	-58.2	-49.3	175.2	168.1	64.4	0	0	0	111.5	E326 L327 F332 S333 L334 P404 I408	E326-L330 PolarHBondContact O-N 3.45Å; L327-L330 HydrophobicContact CD1-CD2 4.27Å; L327-L330 PolarHBondContact O-N 2.55Å; L330-F332 VanDerWaalsContact C-N 3.34Å; L330-F332 PolarHBondContact O-N 3.33Å; L330-S333 PolarHBondContact O-N 3.31Å; L330-L334 VanDerWaalsContact O-CB 3.26Å; L330-L334 WeakPolarHBondContact O-CB 3.32Å; L330-L334 PolarHBondContact O-N 2.88Å; L330-P404 HydrophobicContact CB-CB 4.43Å; L330-P404 HydrophobicContact CD1-CB 4.18Å; L330-P404 HydrophobicContact CD1-CG 3.85Å; L330-P404 HydrophobicContact CD2-CB 4.26Å; L330-I408 HydrophobicContact CD2-CD1 4.34Å
331	L	91.2	Very high	91.1	Very high	93 Å²	93	73.2 Å²	73.2	49%	0.487	39%	0.387	S	S	.	.	H	α-helix	trans	-64.2	-39.4	-179.8	-72.2	173.4	0	0	0	112	L327 G328 T335	L327-L331 HydrophobicContact CD1-CD1 4.5Å; L327-L331 HydrophobicContact CD1-CG 4.41Å; L327-L331 HydrophobicContact CG-CD1 4.2Å; L327-L331 WeakPolarHBondContact O-CG 3.22Å; L327-L331 PolarHBondContact O-N 2.86Å; G328-L331 PolarHBondContact O-N 3.43Å; L331-T335 WeakPolarHBondContact O-CB 3.41Å; L331-T335 PolarHBondContact O-N 3.27Å; L331-T335 PolarHBondContact O-OG1 2.75Å
332	F	92.4	Very high	91.6	Very high	142 Å²	142	65.2 Å²	65.2	62%	0.623	35%	0.353	S	S	*	.	H	α-helix	trans	-63.6	-49.8	175.7	177	-102.7	0	0	0	111.6	G328 F329 L330 L334 T335 L336	G328-F332 WeakPolarHBondContact O-CB 3.18Å; G328-F332 PolarHBondContact O-N 2.88Å; F329-F332 PolarHBondContact O-N 2.91Å; L330-F332 VanDerWaalsContact C-N 3.34Å; L330-F332 PolarHBondContact O-N 3.33Å; F332-L334 VanDerWaalsContact C-N 3.33Å; F332-L334 PolarHBondContact O-N 3Å; F332-T335 PolarHBondContact O-N 2.74Å; F332-L336 PolarHBondContact O-N 2.97Å; F332-L336 VanDerWaalsContact O-N 3.07Å
333	S	90.5	Very high	92.4	Very high	42 Å²	42	63.7 Å²	63.7	29%	0.294	34%	0.34	S	S	.	.	H	α-helix	trans	-61.4	-41.4	177.4	-173.6	0	0	0	0	111.8	F329 L330 L336 V337	F329-S333 WeakPolarHBondContact O-CB 3.41Å; F329-S333 PolarHBondContact O-N 3.32Å; L330-S333 PolarHBondContact O-N 3.31Å; S333-L336 PolarHBondContact O-N 3.27Å; S333-V337 WeakPolarHBondContact O-CG2 3.4Å; S333-V337 PolarHBondContact O-N 2.85Å
334	L	92.6	Very high	93	Very high	34 Å²	34	66 Å²	66	18%	0.178	35%	0.354	C	S	.	.	H	α-helix	trans	-64	-44.1	177.5	-170.6	79.3	0	0	0	111.1	L330 F332 L336 V337 V338 M371 V400 I401	L330-L334 VanDerWaalsContact O-CB 3.26Å; L330-L334 WeakPolarHBondContact O-CB 3.32Å; L330-L334 PolarHBondContact O-N 2.88Å; F332-L334 VanDerWaalsContact C-N 3.33Å; F332-L334 PolarHBondContact O-N 3Å; L334-L336 VanDerWaalsContact C-N 3.34Å; L334-L336 PolarHBondContact O-N 3.38Å; L334-V337 PolarHBondContact O-N 3.37Å; L334-V338 HydrophobicContact CG-CG2 4.39Å; L334-V338 WeakPolarHBondContact O-CB 3.41Å; L334-V338 VanDerWaalsContact O-CG2 3.25Å; L334-V338 WeakPolarHBondContact O-CG2 3.43Å; L334-V338 PolarHBondContact O-N 3.45Å; L334-M371 HydrophobicContact CD1-CE 3.59Å; L334-M371 HydrophobicContact CD1-SD 4.49Å; L334-V400 HydrophobicContact CD1-CG1 4.16Å; L334-I401 HydrophobicContact CD1-CD1 4.08Å; L334-I401 HydrophobicContact CD1-CG1 3.91Å
335	T	94.7	Very high	93.4	Very high	77 Å²	77	63.6 Å²	63.6	47%	0.472	33%	0.334	S	S	.	.	H	α-helix	trans	-61.9	-42.3	179.7	-57.2	0	0	0	0	111.5	L331 F332 V338 I339	L331-T335 WeakPolarHBondContact O-CB 3.41Å; L331-T335 PolarHBondContact O-N 3.27Å; L331-T335 PolarHBondContact O-OG1 2.75Å; F332-T335 PolarHBondContact O-N 2.74Å; T335-V338 PolarHBondContact O-N 2.82Å; T335-I339 HydrophobicContact CG2-CD1 3.88Å; T335-I339 HydrophobicContact CG2-CG1 4.48Å; T335-I339 VanDerWaalsContact O-CG1 3.28Å; T335-I339 WeakPolarHBondContact O-CG1 3Å; T335-I339 PolarHBondContact O-N 3.44Å
336	L	94.9	Very high	93.8	Very high	84 Å²	84	57.1 Å²	57.1	44%	0.44	30%	0.302	S	S	.	.	H	α-helix	trans	-59.5	-49.1	176.4	-173.7	162.5	0	0	0	110.9	F332 S333 L334 V338 I339 I340	F332-L336 PolarHBondContact O-N 2.97Å; F332-L336 VanDerWaalsContact O-N 3.07Å; S333-L336 PolarHBondContact O-N 3.27Å; L334-L336 VanDerWaalsContact C-N 3.34Å; L334-L336 PolarHBondContact O-N 3.38Å; L336-V338 PolarHBondContact O-N 2.95Å; L336-I339 PolarHBondContact O-N 3.21Å; L336-I340 HydrophobicContact CD2-CD1 3.39Å; L336-I340 HydrophobicContact CD2-CG1 4.16Å; L336-I340 WeakPolarHBondContact O-CG1 3.47Å; L336-I340 PolarHBondContact O-N 3Å
337	V	95	Very high	94.3	Very high	20 Å²	20	60 Å²	60	12%	0.121	31%	0.311	C	S	.	.	H	α-helix	trans	-64.4	-41.1	179.9	177	0	0	0	0	111.3	S333 L334 I339 I340 F341 M371 V400	S333-V337 WeakPolarHBondContact O-CG2 3.4Å; S333-V337 PolarHBondContact O-N 2.85Å; L334-V337 PolarHBondContact O-N 3.37Å; V337-I339 PolarHBondContact O-N 3.19Å; V337-I340 PolarHBondContact O-N 3.41Å; V337-F341 HydrophobicContact CG1-CD2 3.51Å; V337-F341 HydrophobicContact CG1-CE2 3.57Å; V337-F341 WeakPolarHBondContact O-CD2 3.45Å; V337-F341 PolarHBondContact O-N 3.33Å; V337-M371 HydrophobicContact CB-CE 3.87Å; V337-M371 HydrophobicContact CB-SD 4.46Å; V337-M371 HydrophobicContact CG1-CE 3.33Å; V337-M371 HydrophobicContact CG1-SD 3.82Å; V337-V400 HydrophobicContact CG2-CG2 4.41Å
338	V	96.9	Very high	94.7	Very high	13 Å²	13	58.6 Å²	58.6	8%	0.079	30%	0.303	C	S	.	.	H	α-helix	trans	-58.4	-47.4	174.9	167.3	0	0	0	0	110.9	L334 T335 L336 I340 A342 T367 I368 M371	L334-V338 HydrophobicContact CG-CG2 4.39Å; L334-V338 WeakPolarHBondContact O-CB 3.41Å; L334-V338 VanDerWaalsContact O-CG2 3.25Å; L334-V338 WeakPolarHBondContact O-CG2 3.43Å; L334-V338 PolarHBondContact O-N 3.45Å; T335-V338 PolarHBondContact O-N 2.82Å; L336-V338 PolarHBondContact O-N 2.95Å; V338-I340 PolarHBondContact O-N 3.43Å; V338-A342 WeakPolarHBondContact O-CB 3.29Å; V338-A342 PolarHBondContact O-N 3.03Å; V338-T367 HydrophobicContact CB-CG2 4.27Å; V338-T367 HydrophobicContact CG1-CG2 4.26Å; V338-T367 HydrophobicContact CG2-CG2 4.22Å; V338-I368 HydrophobicContact CG1-CD1 4.28Å; V338-I368 HydrophobicContact CG1-CG1 3.84Å; V338-I368 HydrophobicContact CG2-CG1 3.9Å; V338-M371 HydrophobicContact CG2-SD 3.65Å
339	I	97.2	Very high	94.9	Very high	97 Å²	97	56.8 Å²	56.8	50%	0.497	29%	0.285	S	S	.	.	H	α-helix	trans	-63.3	-43.8	-179.5	-69.5	167.1	0	0	0	111.1	T335 L336 V337 T343	T335-I339 HydrophobicContact CG2-CD1 3.88Å; T335-I339 HydrophobicContact CG2-CG1 4.48Å; T335-I339 VanDerWaalsContact O-CG1 3.28Å; T335-I339 WeakPolarHBondContact O-CG1 3Å; T335-I339 PolarHBondContact O-N 3.44Å; L336-I339 PolarHBondContact O-N 3.21Å; V337-I339 PolarHBondContact O-N 3.19Å; I339-T343 VanDerWaalsContact O-CB 3.3Å; I339-T343 WeakPolarHBondContact O-CB 3.37Å; I339-T343 PolarHBondContact O-N 3.38Å; I339-T343 PolarHBondContact O-OG1 3.13Å
340	I	97.3	Very high	95.2	Very high	89 Å²	89	55.2 Å²	55.2	46%	0.456	28%	0.278	S	S	.	.	H	α-helix	trans	-60.6	-55.7	178.5	-68.6	178.9	0	0	0	110.6	L336 V337 V338 A342 T343 V344	L336-I340 HydrophobicContact CD2-CD1 3.39Å; L336-I340 HydrophobicContact CD2-CG1 4.16Å; L336-I340 WeakPolarHBondContact O-CG1 3.47Å; L336-I340 PolarHBondContact O-N 3Å; V337-I340 PolarHBondContact O-N 3.41Å; V338-I340 PolarHBondContact O-N 3.43Å; I340-A342 PolarHBondContact O-N 2.99Å; I340-T343 PolarHBondContact O-N 3.27Å; I340-V344 HydrophobicContact CG2-CG2 4.47Å; I340-V344 WeakPolarHBondContact O-CG2 3.37Å; I340-V344 PolarHBondContact O-N 3.28Å
341	F	97.5	Very high	95.2	Very high	29 Å²	29	62.5 Å²	62.5	13%	0.127	31%	0.309	C	S	.	.	H	α-helix	trans	-66.8	-37.8	-177.1	-78.9	-68.8	0	0	0	112.5	V337 T343 V344 I345 T367 I389 I392 C393 C396	V337-F341 HydrophobicContact CG1-CD2 3.51Å; V337-F341 HydrophobicContact CG1-CE2 3.57Å; V337-F341 WeakPolarHBondContact O-CD2 3.45Å; V337-F341 PolarHBondContact O-N 3.33Å; F341-T343 VanDerWaalsContact C-N 3.3Å; F341-T343 PolarHBondContact O-N 2.67Å; F341-V344 PolarHBondContact O-N 2.9Å; F341-I345 WeakPolarHBondContact O-CB 3.41Å; F341-I345 VanDerWaalsContact O-CG2 3.28Å; F341-I345 WeakPolarHBondContact O-CG2 3.28Å; F341-I345 PolarHBondContact O-N 3.5Å; F341-T367 HydrophobicContact CB-CG2 3.7Å; F341-I389 HydrophobicContact CD1-CG2 4.03Å; F341-I389 HydrophobicContact CE1-CG2 4.46Å; F341-I392 HydrophobicContact CE1-CG2 4.09Å; F341-I392 HydrophobicContact CZ-CG2 4.07Å; F341-C393 HydrophobicContact CB-CB 4.42Å; F341-C393 HydrophobicContact CD1-CB 3.65Å; F341-C393 HydrophobicContact CD2-CB 4.29Å; F341-C393 HydrophobicContact CE1-CB 3.89Å; F341-C393 HydrophobicContact CG-CB 3.88Å; F341-C393 HydrophobicContact CZ-CB 4.32Å; F341-C396 HydrophobicContact CE2-CB 3.91Å; F341-C396 HydrophobicContact CZ-CB 4.04Å
342	A	97.8	Very high	95.1	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-60.3	-40.5	174.2	0	0	0	0	0	111.9	V338 I340 I345 Y346 I360 A363 T367	V338-A342 WeakPolarHBondContact O-CB 3.29Å; V338-A342 PolarHBondContact O-N 3.03Å; I340-A342 PolarHBondContact O-N 2.99Å; A342-I345 WeakPolarHBondContact O-CG2 3.41Å; A342-Y346 WeakPolarHBondContact O-CB 3.34Å; A342-Y346 PolarHBondContact O-N 3.16Å; A342-Y346 VanDerWaalsContact O-N 3.07Å; A342-I360 HydrophobicContact CB-CG2 4.32Å; A342-A363 HydrophobicContact CB-CB 4.04Å; A342-A363 VanDerWaalsContact O-CB 3.28Å; A342-A363 WeakPolarHBondContact O-CB 3.28Å; A342-T367 WeakPolarHBondContact CA-OG1 3.42Å; A342-T367 PolarHBondContact N-OG1 2.95Å
343	T	97.9	Very high	94.8	Very high	44 Å²	44	62.8 Å²	62.8	27%	0.27	31%	0.311	S	S	.	.	H	α-helix	trans	-69	-46	178.5	-56.5	0	0	0	0	110.8	I339 I340 F341 Y346 Y347	I339-T343 VanDerWaalsContact O-CB 3.3Å; I339-T343 WeakPolarHBondContact O-CB 3.37Å; I339-T343 PolarHBondContact O-N 3.38Å; I339-T343 PolarHBondContact O-OG1 3.13Å; I340-T343 PolarHBondContact O-N 3.27Å; F341-T343 VanDerWaalsContact C-N 3.3Å; F341-T343 PolarHBondContact O-N 2.67Å; T343-Y346 PolarHBondContact O-N 2.85Å; T343-Y347 HydrophobicContact CG2-CD2 3.87Å; T343-Y347 HydrophobicContact CG2-CE2 3.84Å; T343-Y347 VanDerWaalsContact O-CD2 3.25Å; T343-Y347 WeakPolarHBondContact O-CD2 3.48Å; T343-Y347 PolarHBondContact O-N 2.83Å; T343-Y347 VanDerWaalsContact O-N 3.11Å
344	V	97.6	Very high	94.6	Very high	57 Å²	57	67.3 Å²	67.3	35%	0.345	33%	0.332	S	S	.	.	H	α-helix	trans	-64.3	-47.7	-179.9	174.5	0	0	0	0	111.1	I340 F341 Y346 Y347 I348 I389	I340-V344 HydrophobicContact CG2-CG2 4.47Å; I340-V344 WeakPolarHBondContact O-CG2 3.37Å; I340-V344 PolarHBondContact O-N 3.28Å; F341-V344 PolarHBondContact O-N 2.9Å; V344-Y346 VanDerWaalsContact C-N 3.35Å; V344-Y346 PolarHBondContact O-N 3.22Å; V344-Y347 PolarHBondContact O-N 3.38Å; V344-I348 HydrophobicContact CG1-CD1 3.65Å; V344-I348 WeakPolarHBondContact O-CD1 3.49Å; V344-I348 VanDerWaalsContact O-CG1 3.29Å; V344-I348 WeakPolarHBondContact O-CG1 3.13Å; V344-I348 PolarHBondContact O-N 2.71Å; V344-I348 VanDerWaalsContact O-N 3.09Å; V344-I389 HydrophobicContact CG1-CD1 4.29Å; V344-I389 HydrophobicContact CG1-CG1 4.17Å; V344-I389 HydrophobicContact CG1-CG2 3.96Å
345	I	96.7	Very high	94.5	Very high	2 Å²	2	66.3 Å²	66.3	1%	0.01	33%	0.328	C	S	.	.	H	α-helix	trans	-65.9	-38.6	-179.3	-160.5	67.8	0	0	0	111.6	F341 A342 I348 E349 F357 A363 Y366 P381 G386 I389	F341-I345 WeakPolarHBondContact O-CB 3.41Å; F341-I345 VanDerWaalsContact O-CG2 3.28Å; F341-I345 WeakPolarHBondContact O-CG2 3.28Å; F341-I345 PolarHBondContact O-N 3.5Å; A342-I345 WeakPolarHBondContact O-CG2 3.41Å; I345-I348 PolarHBondContact O-N 3.35Å; I345-E349 HydrophobicContact CD1-CG 4.19Å; I345-E349 HydrophobicContact CG1-CG 4.12Å; I345-E349 WeakPolarHBondContact O-CB 3.27Å; I345-E349 WeakPolarHBondContact O-CG 3.34Å; I345-E349 PolarHBondContact O-N 3.18Å; I345-F357 HydrophobicContact CG1-CD1 4.46Å; I345-F357 HydrophobicContact CG1-CE1 3.93Å; I345-F357 HydrophobicContact CG1-CZ 3.97Å; I345-F357 HydrophobicContact CG2-CD1 4.02Å; I345-F357 HydrophobicContact CG2-CE1 3.83Å; I345-A363 HydrophobicContact CG2-CB 3.81Å; I345-Y366 HydrophobicContact CG1-CE1 4.26Å; I345-Y366 HydrophobicContact CG2-CD1 4.38Å; I345-P381 HydrophobicContact CD1-CB 4.13Å; I345-G386 WeakPolarHBondContact CD1-O 3.44Å; I345-I389 HydrophobicContact CD1-CB 4.33Å; I345-I389 HydrophobicContact CD1-CG2 4.22Å
346	Y	97.1	Very high	94.3	Very high	35 Å²	35	64.7 Å²	64.7	14%	0.137	32%	0.32	C	S	.	.	H	α-helix	trans	-57.5	-51.7	174	169.2	-103.8	0	0	0	111.3	A342 T343 V344 I348 E349 K350 F357 Y358 I360	A342-Y346 WeakPolarHBondContact O-CB 3.34Å; A342-Y346 PolarHBondContact O-N 3.16Å; A342-Y346 VanDerWaalsContact O-N 3.07Å; T343-Y346 PolarHBondContact O-N 2.85Å; V344-Y346 VanDerWaalsContact C-N 3.35Å; V344-Y346 PolarHBondContact O-N 3.22Å; Y346-I348 VanDerWaalsContact C-N 3.26Å; Y346-I348 PolarHBondContact O-N 2.89Å; Y346-E349 PolarHBondContact O-N 2.9Å; Y346-K350 HydrophobicContact CE1-CD 4.12Å; Y346-K350 WeakPolarHBondContact O-CB 3.44Å; Y346-K350 PolarHBondContact O-N 2.9Å; Y346-F357 WeakPolarHBondContact CD2-O 3.21Å; Y346-Y358 WeakPolarHBondContact CE2-O 3.48Å; Y346-I360 HydrophobicContact CD1-CD1 4.5Å; Y346-I360 HydrophobicContact CD1-CG1 3.83Å; Y346-I360 HydrophobicContact CE1-CG1 4.35Å; Y346-I360 HydrophobicContact CG-CG1 4.04Å
347	Y	96.6	Very high	94.3	Very high	135 Å²	135	60.9 Å²	60.9	53%	0.529	30%	0.3	S	S	.	.	H	α-helix	trans	-67.8	-25.1	-178.2	-82.7	-68.8	0	0	0	113.9	T343 V344	T343-Y347 HydrophobicContact CG2-CD2 3.87Å; T343-Y347 HydrophobicContact CG2-CE2 3.84Å; T343-Y347 VanDerWaalsContact O-CD2 3.25Å; T343-Y347 WeakPolarHBondContact O-CD2 3.48Å; T343-Y347 PolarHBondContact O-N 2.83Å; T343-Y347 VanDerWaalsContact O-N 3.11Å; V344-Y347 PolarHBondContact O-N 3.38Å
348	I	96	Very high	94.2	Very high	33 Å²	33	68.4 Å²	68.4	17%	0.169	33%	0.327	C	S	.	.	H	α-helix	trans	-75.8	-45.8	174.4	-70.1	164.8	0	0	0	111.1	V344 I345 Y346 T383 L385 I389	V344-I348 HydrophobicContact CG1-CD1 3.65Å; V344-I348 WeakPolarHBondContact O-CD1 3.49Å; V344-I348 VanDerWaalsContact O-CG1 3.29Å; V344-I348 WeakPolarHBondContact O-CG1 3.13Å; V344-I348 PolarHBondContact O-N 2.71Å; V344-I348 VanDerWaalsContact O-N 3.09Å; I345-I348 PolarHBondContact O-N 3.35Å; Y346-I348 VanDerWaalsContact C-N 3.26Å; Y346-I348 PolarHBondContact O-N 2.89Å; I348-T383 WeakPolarHBondContact CG2-OG1 3.44Å; I348-L385 HydrophobicContact CD1-CD2 4.05Å; I348-L385 HydrophobicContact CD1-CG 3.98Å; I348-L385 HydrophobicContact CG1-CD2 3.99Å; I348-L385 HydrophobicContact CG1-CG 4.36Å; I348-L385 HydrophobicContact CG2-CB 4.02Å; I348-L385 HydrophobicContact CG2-CD2 4.27Å; I348-L385 HydrophobicContact CG2-CG 4.22Å; I348-I389 HydrophobicContact CD1-CB 4.24Å; I348-I389 HydrophobicContact CD1-CG1 3.51Å
349	E	95.6	Very high	94.2	Very high	0 Å²	0	69.6 Å²	69.6	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-87.8	-11.6	-172.7	-65.2	-72.4	137.2	0	0	113.1	I345 Y346 F351 D352 S355 F357 P381 S382 T383 G386	I345-E349 HydrophobicContact CD1-CG 4.19Å; I345-E349 HydrophobicContact CG1-CG 4.12Å; I345-E349 WeakPolarHBondContact O-CB 3.27Å; I345-E349 WeakPolarHBondContact O-CG 3.34Å; I345-E349 PolarHBondContact O-N 3.18Å; Y346-E349 PolarHBondContact O-N 2.9Å; E349-F351 PolarHBondContact O-N 2.87Å; E349-F351 VanDerWaalsContact O-N 3.12Å; E349-D352 PolarHBondContact O-N 3.24Å; E349-D352 VanDerWaalsContact O-N 3.14Å; E349-S355 WeakPolarHBondContact CB-OG 3.31Å; E349-S355 WeakPolarHBondContact O-CB 3.07Å; E349-S355 PolarHBondContact O-OG 3.24Å; E349-F357 HydrophobicContact CB-CB 4.12Å; E349-F357 HydrophobicContact CB-CD2 3.65Å; E349-F357 HydrophobicContact CB-CE2 4.37Å; E349-F357 HydrophobicContact CB-CG 4.07Å; E349-F357 HydrophobicContact CG-CD2 3.73Å; E349-F357 HydrophobicContact CG-CE2 3.94Å; E349-F357 HydrophobicContact CG-CG 4.4Å; E349-P381 HydrophobicContact CG-CB 4.3Å; E349-P381 WeakPolarHBondContact OE1-CB 3.1Å; E349-P381 WeakPolarHBondContact OE2-CA 3.47Å; E349-S382 PolarHBondContact OE2-N 2.51Å; E349-S382 PolarHBondContact OE2-OG 3.4Å; E349-S382 VanDerWaalsContact OE2-OG 3.05Å; E349-T383 VanDerWaalsContact OE1-CB 3.27Å; E349-T383 WeakPolarHBondContact OE1-CB 3.12Å; E349-T383 WeakPolarHBondContact OE1-CG2 3.44Å; E349-T383 PolarHBondContact OE1-N 3.5Å; E349-T383 VanDerWaalsContact OE1-N 3.12Å; E349-T383 PolarHBondContact OE1-OG1 3.36Å; E349-G386 WeakPolarHBondContact OE1-CA 3.48Å
350	K	93.2	Very high	94.2	Very high	112 Å²	112	68 Å²	68	49%	0.487	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-27.4	-179	178.6	177.4	-177.3	174.4	0	113.7	Y346	Y346-K350 HydrophobicContact CE1-CD 4.12Å; Y346-K350 WeakPolarHBondContact O-CB 3.44Å; Y346-K350 PolarHBondContact O-N 2.9Å
351	F	89.9	Confident	94.2	Very high	175 Å²	175	68 Å²	68	77%	0.768	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-5	-176.8	-59.1	-74.5	0	0	0	113.8	E349	E349-F351 PolarHBondContact O-N 2.87Å; E349-F351 VanDerWaalsContact O-N 3.12Å
352	D	90.1	Very high	94.1	Very high	47 Å²	47	69.6 Å²	69.6	25%	0.251	34%	0.344	S	S	.	.			trans	-95.3	127.7	176.6	-176	53.4	0	0	0	111	E349 N354 S355 S382 T383	E349-D352 PolarHBondContact O-N 3.24Å; E349-D352 VanDerWaalsContact O-N 3.14Å; D352-N354 PolarHBondContact O-N 3.41Å; D352-N354 WeakPolarHBondContact OD2-CB 3.11Å; D352-N354 PolarHBondContact OD2-N 3.02Å; D352-S355 WeakPolarHBondContact O-CB 3.38Å; D352-S355 PolarHBondContact O-N 3.23Å; D352-S355 PolarHBondContact OD2-N 2.9Å; D352-S382 VanDerWaalsContact OD2-CB 3.29Å; D352-S382 WeakPolarHBondContact OD2-CB 3.28Å; D352-S382 PolarHBondContact OD2-OG 2.91Å; D352-T383 HydrophobicContact CB-CG2 4.07Å
353	E	85.2	Confident	94	Very high	193 Å²	193	69.6 Å²	69.6	90%	0.902	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-23.4	-177.9	-65.2	-175.6	172.8	0	0	112.8	S355	E353-S355 VanDerWaalsContact C-N 3.29Å
354	N	86.6	Confident	94	Very high	137 Å²	137	69.1 Å²	69.1	73%	0.733	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	2.9	177.7	-58.2	-56.1	0	0	0	112.8	D352	D352-N354 PolarHBondContact O-N 3.41Å; D352-N354 WeakPolarHBondContact OD2-CB 3.11Å; D352-N354 PolarHBondContact OD2-N 3.02Å
355	S	90.2	Very high	94	Very high	13 Å²	13	71.8 Å²	71.8	9%	0.091	35%	0.346	C	S	.	.			trans	-72.2	136.1	-179.2	173.9	0	0	0	0	111.9	E349 D352 E353 F357	E349-S355 WeakPolarHBondContact CB-OG 3.31Å; E349-S355 WeakPolarHBondContact O-CB 3.07Å; E349-S355 PolarHBondContact O-OG 3.24Å; D352-S355 WeakPolarHBondContact O-CB 3.38Å; D352-S355 PolarHBondContact O-N 3.23Å; D352-S355 PolarHBondContact OD2-N 2.9Å; E353-S355 VanDerWaalsContact C-N 3.29Å; S355-F357 VanDerWaalsContact C-N 3.33Å; S355-F357 WeakPolarHBondContact OG-CB 3.27Å; S355-F357 WeakPolarHBondContact OG-CD2 3.19Å; S355-F357 PolarHBondContact OG-N 3.05Å
356	S	91.7	Very high	94	Very high	43 Å²	43	72.9 Å²	72.9	30%	0.301	35%	0.35	S	S	.	.			trans	-92.2	8.6	170.2	-58.4	0	0	0	0	113	Y358 M379	S356-Y358 WeakPolarHBondContact O-CD2 3.38Å; S356-Y358 PolarHBondContact O-N 3.24Å; S356-M379 VanDerWaalsContact O-CE 3.26Å; S356-M379 WeakPolarHBondContact O-CE 3.36Å
357	F	94.5	Very high	94	Very high	4 Å²	4	71.2 Å²	71.2	2%	0.018	34%	0.344	C	S	.	.			trans	-90.5	71.3	-176.9	-64.7	-89.2	0	0	0	112	I345 Y346 E349 S355 A363 Y366 M379 P381	I345-F357 HydrophobicContact CG1-CD1 4.46Å; I345-F357 HydrophobicContact CG1-CE1 3.93Å; I345-F357 HydrophobicContact CG1-CZ 3.97Å; I345-F357 HydrophobicContact CG2-CD1 4.02Å; I345-F357 HydrophobicContact CG2-CE1 3.83Å; Y346-F357 WeakPolarHBondContact CD2-O 3.21Å; E349-F357 HydrophobicContact CB-CB 4.12Å; E349-F357 HydrophobicContact CB-CD2 3.65Å; E349-F357 HydrophobicContact CB-CE2 4.37Å; E349-F357 HydrophobicContact CB-CG 4.07Å; E349-F357 HydrophobicContact CG-CD2 3.73Å; E349-F357 HydrophobicContact CG-CE2 3.94Å; E349-F357 HydrophobicContact CG-CG 4.4Å; S355-F357 VanDerWaalsContact C-N 3.33Å; S355-F357 WeakPolarHBondContact OG-CB 3.27Å; S355-F357 WeakPolarHBondContact OG-CD2 3.19Å; S355-F357 PolarHBondContact OG-N 3.05Å; F357-A363 HydrophobicContact CD1-CB 3.8Å; F357-A363 HydrophobicContact CE1-CB 4.42Å; F357-Y366 AromaticContact CE1-CD1 3.61Å; F357-Y366 HydrophobicContact CE1-CD1 3.61Å; F357-Y366 HydrophobicContact CE1-CD2 4.27Å; F357-Y366 HydrophobicContact CE1-CE1 4.35Å; F357-Y366 AromaticContact CE1-CG 3.56Å; F357-Y366 HydrophobicContact CE1-CG 3.56Å; F357-Y366 AromaticContact CZ-CD1 3.85Å; F357-Y366 HydrophobicContact CZ-CD1 3.85Å; F357-Y366 AromaticContact CZ-CD2 3.97Å; F357-Y366 HydrophobicContact CZ-CD2 3.97Å; F357-Y366 HydrophobicContact CZ-CE1 4.22Å; F357-Y366 HydrophobicContact CZ-CE2 4.34Å; F357-Y366 AromaticContact CZ-CG 3.71Å; F357-Y366 HydrophobicContact CZ-CG 3.71Å; F357-M379 HydrophobicContact CD1-CE 3.64Å; F357-M379 HydrophobicContact CE1-CE 3.88Å; F357-M379 HydrophobicContact CG-CE 4.09Å; F357-M379 HydrophobicContact CZ-CE 4.49Å; F357-P381 HydrophobicContact CE2-CB 4.47Å
358	Y	93.6	Very high	93.9	Very high	178 Å²	178	68.2 Å²	68.2	70%	0.698	34%	0.336	S	S	*	.			trans	-71.8	-33.2	-174.7	-56	-72.2	0	0	0	114.4	Y346 S356	Y346-Y358 WeakPolarHBondContact CE2-O 3.48Å; S356-Y358 WeakPolarHBondContact O-CD2 3.38Å; S356-Y358 PolarHBondContact O-N 3.24Å
359	S	96.2	Very high	93.9	Very high	38 Å²	38	66.9 Å²	66.9	27%	0.266	33%	0.329	S	S	.	.	S	Bend	trans	-147	164.9	-177.2	74.7	0	0	0	0	111.8	P361 D362 A363	S359-P361 WeakPolarHBondContact OG-CD 3.33Å; S359-D362 WeakPolarHBondContact CB-OD2 3.47Å; S359-D362 PolarHBondContact N-OD2 2.61Å; S359-D362 PolarHBondContact O-N 2.71Å; S359-D362 PolarHBondContact OG-N 2.68Å; S359-D362 PolarHBondContact OG-OD2 2.7Å; S359-A363 PolarHBondContact O-N 3.49Å
360	I	96.4	Very high	93.9	Very high	64 Å²	64	68 Å²	68	33%	0.328	34%	0.336	S	S	.	.	H	α-helix	trans	-61.7	-41.4	175.9	-59.8	169.8	0	0	0	111.5	A342 Y346 D362 A363 S364	A342-I360 HydrophobicContact CB-CG2 4.32Å; Y346-I360 HydrophobicContact CD1-CD1 4.5Å; Y346-I360 HydrophobicContact CD1-CG1 3.83Å; Y346-I360 HydrophobicContact CE1-CG1 4.35Å; Y346-I360 HydrophobicContact CG-CG1 4.04Å; I360-D362 PolarHBondContact O-N 3.44Å; I360-A363 CarbonylContact O-C 3.57Å; I360-A363 WeakPolarHBondContact O-CB 3.42Å; I360-A363 PolarHBondContact O-N 3.03Å; I360-S364 PolarHBondContact O-N 2.74Å
361	P	96.9	Very high	93.9	Very high	88 Å²	88	62.8 Å²	62.8	57%	0.571	31%	0.313	S	S	*	.	H	α-helix	trans	-57.8	-40.7	170.4	-28.8	36.7	0	0	0	114.3	S359 S364 W365	S359-P361 WeakPolarHBondContact OG-CD 3.33Å; P361-S364 WeakPolarHBondContact O-CB 3.49Å; P361-S364 PolarHBondContact O-N 3.07Å; P361-S364 VanDerWaalsContact O-N 3.11Å; P361-S364 PolarHBondContact O-OG 3.35Å; P361-W365 PolarHBondContact O-N 3.46Å
362	D	95.9	Very high	94.1	Very high	64 Å²	64	56.7 Å²	56.7	34%	0.342	29%	0.291	S	S	.	.	H	α-helix	trans	-66.9	-40.6	176.2	-58.2	-39.4	0	0	0	110.8	S359 I360 S364 W365 Y366 M379	S359-D362 WeakPolarHBondContact CB-OD2 3.47Å; S359-D362 PolarHBondContact N-OD2 2.61Å; S359-D362 PolarHBondContact O-N 2.71Å; S359-D362 PolarHBondContact OG-N 2.68Å; S359-D362 PolarHBondContact OG-OD2 2.7Å; I360-D362 PolarHBondContact O-N 3.44Å; D362-S364 PolarHBondContact O-N 3.28Å; D362-W365 WeakPolarHBondContact O-CB 3.1Å; D362-W365 PolarHBondContact O-N 2.91Å; D362-W365 VanDerWaalsContact O-N 3.16Å; D362-Y366 PolarHBondContact O-N 3.37Å; D362-M379 HydrophobicContact CB-CE 4.16Å; D362-M379 WeakPolarHBondContact O-CE 3.26Å
363	A	97	Very high	94.2	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-62.8	-29.4	171.9	0	0	0	0	0	112.9	A342 I345 F357 S359 I360 Y366 T367	A342-A363 HydrophobicContact CB-CB 4.04Å; A342-A363 VanDerWaalsContact O-CB 3.28Å; A342-A363 WeakPolarHBondContact O-CB 3.28Å; I345-A363 HydrophobicContact CG2-CB 3.81Å; F357-A363 HydrophobicContact CD1-CB 3.8Å; F357-A363 HydrophobicContact CE1-CB 4.42Å; S359-A363 PolarHBondContact O-N 3.49Å; I360-A363 CarbonylContact O-C 3.57Å; I360-A363 WeakPolarHBondContact O-CB 3.42Å; I360-A363 PolarHBondContact O-N 3.03Å; A363-Y366 PolarHBondContact O-N 3.49Å; A363-T367 WeakPolarHBondContact O-CB 3.27Å; A363-T367 PolarHBondContact O-N 3.21Å; A363-T367 PolarHBondContact O-OG1 3.45Å
364	S	96.8	Very high	94.7	Very high	33 Å²	33	55.1 Å²	55.1	23%	0.231	29%	0.292	C	S	.	.	H	α-helix	trans	-68.3	-34.8	175.3	83.6	0	0	0	0	111.9	I360 P361 D362 T367 I368	I360-S364 PolarHBondContact O-N 2.74Å; P361-S364 WeakPolarHBondContact O-CB 3.49Å; P361-S364 PolarHBondContact O-N 3.07Å; P361-S364 VanDerWaalsContact O-N 3.11Å; P361-S364 PolarHBondContact O-OG 3.35Å; D362-S364 PolarHBondContact O-N 3.28Å; S364-T367 PolarHBondContact O-N 2.94Å; S364-I368 WeakPolarHBondContact O-CB 3.39Å; S364-I368 WeakPolarHBondContact O-CD1 3.46Å; S364-I368 WeakPolarHBondContact O-CG1 3.18Å; S364-I368 PolarHBondContact O-N 3.31Å
365	W	97.4	Very high	95	Very high	114 Å²	114	51.1 Å²	51.1	43%	0.432	28%	0.283	S	S	.	.	H	α-helix	trans	-59.9	-52.6	172.4	166.3	-100.5	0	0	0	111.3	P361 D362 T367 I368 V369 Y376 D378	P361-W365 PolarHBondContact O-N 3.46Å; D362-W365 WeakPolarHBondContact O-CB 3.1Å; D362-W365 PolarHBondContact O-N 2.91Å; D362-W365 VanDerWaalsContact O-N 3.16Å; W365-T367 VanDerWaalsContact C-N 3.27Å; W365-T367 PolarHBondContact O-N 3.04Å; W365-I368 PolarHBondContact O-N 3.31Å; W365-V369 HydrophobicContact CD2-CG2 3.98Å; W365-V369 HydrophobicContact CE3-CG2 4.26Å; W365-V369 HydrophobicContact CH2-CG2 4.19Å; W365-V369 HydrophobicContact CZ2-CG2 3.91Å; W365-V369 HydrophobicContact CZ3-CG2 4.36Å; W365-V369 WeakPolarHBondContact O-CB 3.45Å; W365-V369 WeakPolarHBondContact O-CG2 3.27Å; W365-V369 PolarHBondContact O-N 3.29Å; W365-Y376 HydrophobicContact CH2-CD2 4.19Å; W365-Y376 AromaticContact CH2-CE2 3.86Å; W365-Y376 HydrophobicContact CH2-CE2 3.86Å; W365-Y376 AromaticContact CZ2-CD2 3.65Å; W365-Y376 HydrophobicContact CZ2-CD2 3.65Å; W365-Y376 AromaticContact CZ2-CE2 3.81Å; W365-Y376 HydrophobicContact CZ2-CE2 3.81Å; W365-D378 PolarHBondContact NE1-OD2 3.27Å
366	Y	96.9	Very high	95.2	Very high	25 Å²	25	57.5 Å²	57.5	10%	0.098	31%	0.306	C	S	.	.	H	α-helix	trans	-53.1	-46.4	173.4	166.2	-98.7	0	0	0	111.7	I345 F357 D362 A363 V369 T370 M379	I345-Y366 HydrophobicContact CG1-CE1 4.26Å; I345-Y366 HydrophobicContact CG2-CD1 4.38Å; F357-Y366 AromaticContact CE1-CD1 3.61Å; F357-Y366 HydrophobicContact CE1-CD1 3.61Å; F357-Y366 HydrophobicContact CE1-CD2 4.27Å; F357-Y366 HydrophobicContact CE1-CE1 4.35Å; F357-Y366 AromaticContact CE1-CG 3.56Å; F357-Y366 HydrophobicContact CE1-CG 3.56Å; F357-Y366 AromaticContact CZ-CD1 3.85Å; F357-Y366 HydrophobicContact CZ-CD1 3.85Å; F357-Y366 AromaticContact CZ-CD2 3.97Å; F357-Y366 HydrophobicContact CZ-CD2 3.97Å; F357-Y366 HydrophobicContact CZ-CE1 4.22Å; F357-Y366 HydrophobicContact CZ-CE2 4.34Å; F357-Y366 AromaticContact CZ-CG 3.71Å; F357-Y366 HydrophobicContact CZ-CG 3.71Å; D362-Y366 PolarHBondContact O-N 3.37Å; A363-Y366 PolarHBondContact O-N 3.49Å; Y366-V369 PolarHBondContact O-N 2.73Å; Y366-T370 WeakPolarHBondContact CE2-OG1 3.4Å; Y366-T370 VanDerWaalsContact O-CB 3.22Å; Y366-T370 WeakPolarHBondContact O-CB 3.47Å; Y366-T370 PolarHBondContact O-N 3.12Å; Y366-T370 PolarHBondContact O-OG1 3.33Å; Y366-M379 HydrophobicContact CD2-CB 4.24Å; Y366-M379 VanDerWaalsContact CD2-O 3.22Å; Y366-M379 WeakPolarHBondContact CD2-O 3.25Å
367	T	96.7	Very high	95.3	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-65.3	-44	-177.2	-56.8	0	0	0	0	111.5	V338 F341 A342 A363 S364 W365 T370 M371	V338-T367 HydrophobicContact CB-CG2 4.27Å; V338-T367 HydrophobicContact CG1-CG2 4.26Å; V338-T367 HydrophobicContact CG2-CG2 4.22Å; F341-T367 HydrophobicContact CB-CG2 3.7Å; A342-T367 WeakPolarHBondContact CA-OG1 3.42Å; A342-T367 PolarHBondContact N-OG1 2.95Å; A363-T367 WeakPolarHBondContact O-CB 3.27Å; A363-T367 PolarHBondContact O-N 3.21Å; A363-T367 PolarHBondContact O-OG1 3.45Å; S364-T367 PolarHBondContact O-N 2.94Å; W365-T367 VanDerWaalsContact C-N 3.27Å; W365-T367 PolarHBondContact O-N 3.04Å; T367-T370 PolarHBondContact O-N 3.23Å; T367-M371 HydrophobicContact CG2-CG 4.26Å; T367-M371 HydrophobicContact CG2-SD 3.89Å; T367-M371 WeakPolarHBondContact O-CB 3.28Å; T367-M371 VanDerWaalsContact O-CG 3.26Å; T367-M371 WeakPolarHBondContact O-CG 3.49Å; T367-M371 PolarHBondContact O-N 2.92Å
368	I	96	Very high	95.3	Very high	72 Å²	72	61.5 Å²	61.5	37%	0.369	34%	0.335	S	S	.	.	H	α-helix	trans	-62	-50.6	176.5	-69.9	162.5	0	0	0	110.3	V338 S364 W365 T370 M371 T372	V338-I368 HydrophobicContact CG1-CD1 4.28Å; V338-I368 HydrophobicContact CG1-CG1 3.84Å; V338-I368 HydrophobicContact CG2-CG1 3.9Å; S364-I368 WeakPolarHBondContact O-CB 3.39Å; S364-I368 WeakPolarHBondContact O-CD1 3.46Å; S364-I368 WeakPolarHBondContact O-CG1 3.18Å; S364-I368 PolarHBondContact O-N 3.31Å; W365-I368 PolarHBondContact O-N 3.31Å; I368-T370 VanDerWaalsContact C-N 3.26Å; I368-T370 PolarHBondContact O-N 3.09Å; I368-M371 PolarHBondContact O-N 2.86Å; I368-T372 HydrophobicContact CG2-CG2 4.38Å; I368-T372 VanDerWaalsContact O-CB 3.31Å; I368-T372 WeakPolarHBondContact O-CB 3.46Å; I368-T372 VanDerWaalsContact O-CG2 3.3Å; I368-T372 WeakPolarHBondContact O-CG2 3.35Å; I368-T372 PolarHBondContact O-N 3.31Å; I368-T372 PolarHBondContact O-OG1 3.33Å
369	V	96	Very high	95.3	Very high	5 Å²	5	54 Å²	54	3%	0.03	31%	0.306	C	S	.	.	H	α-helix	trans	-61.8	-35.1	-179.9	168.7	0	0	0	0	111.5	W365 Y366 T372 T373 L374 G375 Y376	W365-V369 HydrophobicContact CD2-CG2 3.98Å; W365-V369 HydrophobicContact CE3-CG2 4.26Å; W365-V369 HydrophobicContact CH2-CG2 4.19Å; W365-V369 HydrophobicContact CZ2-CG2 3.91Å; W365-V369 HydrophobicContact CZ3-CG2 4.36Å; W365-V369 WeakPolarHBondContact O-CB 3.45Å; W365-V369 WeakPolarHBondContact O-CG2 3.27Å; W365-V369 PolarHBondContact O-N 3.29Å; Y366-V369 PolarHBondContact O-N 2.73Å; V369-T372 PolarHBondContact O-OG1 3.11Å; V369-T373 PolarHBondContact O-N 3.47Å; V369-L374 HydrophobicContact CG1-CB 3.92Å; V369-L374 PolarHBondContact O-N 3.5Å; V369-G375 VanDerWaalsContact CG1-N 3.25Å; V369-G375 PolarHBondContact O-N 3.42Å; V369-G375 VanDerWaalsContact O-N 3.15Å; V369-Y376 HydrophobicContact CG1-CD2 3.77Å; V369-Y376 HydrophobicContact CG1-CE2 4.47Å; V369-Y376 HydrophobicContact CG1-CG 4.32Å; V369-Y376 HydrophobicContact CG2-CD2 3.82Å; V369-Y376 HydrophobicContact CG2-CE2 4.05Å
370	T	94.9	Very high	95.2	Very high	23 Å²	23	57.3 Å²	57.3	14%	0.141	32%	0.32	C	S	.	.	H	α-helix	trans	-73.9	-49.4	177.2	-60.1	0	0	0	0	111.9	Y366 T367 I368 T372 T373	Y366-T370 WeakPolarHBondContact CE2-OG1 3.4Å; Y366-T370 VanDerWaalsContact O-CB 3.22Å; Y366-T370 WeakPolarHBondContact O-CB 3.47Å; Y366-T370 PolarHBondContact O-N 3.12Å; Y366-T370 PolarHBondContact O-OG1 3.33Å; T367-T370 PolarHBondContact O-N 3.23Å; I368-T370 VanDerWaalsContact C-N 3.26Å; I368-T370 PolarHBondContact O-N 3.09Å; T370-T372 VanDerWaalsContact C-N 3.32Å; T370-T372 PolarHBondContact O-N 3.11Å; T370-T373 PolarHBondContact O-N 3.12Å
371	M	93.6	Very high	95.1	Very high	2 Å²	2	54.6 Å²	54.6	1%	0.01	31%	0.306	C	S	.	.	H	α-helix	trans	-64.8	-36.4	-180	-72.3	-177.9	73.6	0	0	112.3	L334 V337 V338 T367 I368 T373 I401	L334-M371 HydrophobicContact CD1-CE 3.59Å; L334-M371 HydrophobicContact CD1-SD 4.49Å; V337-M371 HydrophobicContact CB-CE 3.87Å; V337-M371 HydrophobicContact CB-SD 4.46Å; V337-M371 HydrophobicContact CG1-CE 3.33Å; V337-M371 HydrophobicContact CG1-SD 3.82Å; V338-M371 HydrophobicContact CG2-SD 3.65Å; T367-M371 HydrophobicContact CG2-CG 4.26Å; T367-M371 HydrophobicContact CG2-SD 3.89Å; T367-M371 WeakPolarHBondContact O-CB 3.28Å; T367-M371 VanDerWaalsContact O-CG 3.26Å; T367-M371 WeakPolarHBondContact O-CG 3.49Å; T367-M371 PolarHBondContact O-N 2.92Å; I368-M371 PolarHBondContact O-N 2.86Å; M371-T373 PolarHBondContact O-N 3.07Å; M371-I401 WeakPolarHBondContact O-CD1 3.37Å
372	T	93	Very high	94.9	Very high	48 Å²	48	52.5 Å²	52.5	29%	0.294	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	4.1	175.4	57.8	0	0	0	0	113.3	I368 V369 T370 L374 I401	I368-T372 HydrophobicContact CG2-CG2 4.38Å; I368-T372 VanDerWaalsContact O-CB 3.31Å; I368-T372 WeakPolarHBondContact O-CB 3.46Å; I368-T372 VanDerWaalsContact O-CG2 3.3Å; I368-T372 WeakPolarHBondContact O-CG2 3.35Å; I368-T372 PolarHBondContact O-N 3.31Å; I368-T372 PolarHBondContact O-OG1 3.33Å; V369-T372 PolarHBondContact O-OG1 3.11Å; T370-T372 VanDerWaalsContact C-N 3.32Å; T370-T372 PolarHBondContact O-N 3.11Å; T372-L374 PolarHBondContact O-N 2.84Å; T372-L374 VanDerWaalsContact O-N 3.16Å; T372-L374 WeakPolarHBondContact OG1-CD1 3.29Å; T372-L374 WeakPolarHBondContact OG1-CG 3.36Å; T372-I401 HydrophobicContact CG2-CD1 4.17Å
373	T	93.4	Very high	94.9	Very high	106 Å²	106	51.2 Å²	51.2	65%	0.65	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	60	19.8	179	67.3	0	0	0	0	114.4	V369 T370 M371 V398	V369-T373 PolarHBondContact O-N 3.47Å; T370-T373 PolarHBondContact O-N 3.12Å; M371-T373 PolarHBondContact O-N 3.07Å; T373-V398 HydrophobicContact CG2-CG2 3.68Å
374	L	95.2	Very high	94.8	Very high	100 Å²	100	56.7 Å²	56.7	52%	0.524	32%	0.322	S	S	.	.			trans	-72.5	-51.6	176.9	-72.8	174.1	0	0	0	111.5	V369 T372 Y376	V369-L374 HydrophobicContact CG1-CB 3.92Å; V369-L374 PolarHBondContact O-N 3.5Å; T372-L374 PolarHBondContact O-N 2.84Å; T372-L374 VanDerWaalsContact O-N 3.16Å; T372-L374 WeakPolarHBondContact OG1-CD1 3.29Å; T372-L374 WeakPolarHBondContact OG1-CG 3.36Å; L374-Y376 HydrophobicContact CD1-CE2 4.34Å
375	G	93.6	Very high	94.7	Very high	53 Å²	53	59.8 Å²	59.8	55%	0.546	34%	0.335	S	S	.	.			trans	55.5	57.6	174.2	0	0	0	0	0	116	V369 G377	V369-G375 VanDerWaalsContact CG1-N 3.25Å; V369-G375 PolarHBondContact O-N 3.42Å; V369-G375 VanDerWaalsContact O-N 3.15Å; G375-G377 PolarHBondContact O-N 3.46Å
376	Y	94.1	Very high	94.6	Very high	147 Å²	147	54.3 Å²	54.3	58%	0.576	31%	0.314	S	S	*	.			trans	-59	-29.2	178.6	-68.4	-57.9	0	0	0	114.2	W365 V369 L374 D378	W365-Y376 HydrophobicContact CH2-CD2 4.19Å; W365-Y376 AromaticContact CH2-CE2 3.86Å; W365-Y376 HydrophobicContact CH2-CE2 3.86Å; W365-Y376 AromaticContact CZ2-CD2 3.65Å; W365-Y376 HydrophobicContact CZ2-CD2 3.65Å; W365-Y376 AromaticContact CZ2-CE2 3.81Å; W365-Y376 HydrophobicContact CZ2-CE2 3.81Å; V369-Y376 HydrophobicContact CG1-CD2 3.77Å; V369-Y376 HydrophobicContact CG1-CE2 4.47Å; V369-Y376 HydrophobicContact CG1-CG 4.32Å; V369-Y376 HydrophobicContact CG2-CD2 3.82Å; V369-Y376 HydrophobicContact CG2-CE2 4.05Å; L374-Y376 HydrophobicContact CD1-CE2 4.34Å; Y376-D378 VanDerWaalsContact C-N 3.3Å; Y376-D378 WeakPolarHBondContact CB-OD1 3.43Å; Y376-D378 PolarHBondContact O-N 2.59Å
377	G	92.5	Very high	94.6	Very high	44 Å²	44	58.5 Å²	58.5	45%	0.454	33%	0.333	S	S	.	.			trans	77.6	12.7	178.5	0	0	0	0	0	114.5	G375 M379 I380	G375-G377 PolarHBondContact O-N 3.46Å; G377-M379 VanDerWaalsContact C-N 3.35Å; G377-I380 WeakPolarHBondContact O-CD1 3.36Å
378	D	94.4	Very high	94.6	Very high	87 Å²	87	62.7 Å²	62.7	47%	0.465	36%	0.355	S	S	.	.	S	Bend	trans	-71.6	-28.8	171.5	59.7	-40.3	0	0	0	112.7	W365 Y376	W365-D378 PolarHBondContact NE1-OD2 3.27Å; Y376-D378 VanDerWaalsContact C-N 3.3Å; Y376-D378 WeakPolarHBondContact CB-OD1 3.43Å; Y376-D378 PolarHBondContact O-N 2.59Å
379	M	93.3	Very high	94.7	Very high	20 Å²	20	60.8 Å²	60.8	10%	0.099	35%	0.345	C	S	.	.	S	Bend	trans	-128	126.9	172.7	-62.5	-179.9	61.7	0	0	109.6	S356 F357 D362 Y366 G377	S356-M379 VanDerWaalsContact O-CE 3.26Å; S356-M379 WeakPolarHBondContact O-CE 3.36Å; F357-M379 HydrophobicContact CD1-CE 3.64Å; F357-M379 HydrophobicContact CE1-CE 3.88Å; F357-M379 HydrophobicContact CG-CE 4.09Å; F357-M379 HydrophobicContact CZ-CE 4.49Å; D362-M379 HydrophobicContact CB-CE 4.16Å; D362-M379 WeakPolarHBondContact O-CE 3.26Å; Y366-M379 HydrophobicContact CD2-CB 4.24Å; Y366-M379 VanDerWaalsContact CD2-O 3.22Å; Y366-M379 WeakPolarHBondContact CD2-O 3.25Å; G377-M379 VanDerWaalsContact C-N 3.35Å
380	I	94.5	Very high	94.7	Very high	108 Å²	108	60.8 Å²	60.8	55%	0.554	35%	0.346	S	S	*	.			trans	-142.2	135.3	-176.7	-55.7	167.5	0	0	0	108.2	G377 S382	G377-I380 WeakPolarHBondContact O-CD1 3.36Å; I380-S382 PolarHBondContact O-N 3.05Å
381	P	95.1	Very high	94.7	Very high	7 Å²	7	63.4 Å²	63.4	5%	0.045	37%	0.365	C	S	.	.			trans	-66.5	128.2	174.5	26.8	-33.7	0	0	0	111	I345 E349 F357 G386 K387	I345-P381 HydrophobicContact CD1-CB 4.13Å; E349-P381 HydrophobicContact CG-CB 4.3Å; E349-P381 WeakPolarHBondContact OE1-CB 3.1Å; E349-P381 WeakPolarHBondContact OE2-CA 3.47Å; F357-P381 HydrophobicContact CE2-CB 4.47Å; P381-G386 VanDerWaalsContact CB-C 3.47Å; P381-K387 HydrophobicContact CB-CG 4.44Å; P381-K387 HydrophobicContact CG-CG 4.11Å; P381-K387 WeakPolarHBondContact O-CE 3.39Å
382	S	92.5	Very high	94.8	Very high	45 Å²	45	67.6 Å²	67.6	32%	0.315	39%	0.387	S	S	.	.			trans	-85.5	-37	177.9	63	0	0	0	0	110.8	E349 D352 I380 K387	E349-S382 PolarHBondContact OE2-N 2.51Å; E349-S382 PolarHBondContact OE2-OG 3.4Å; E349-S382 VanDerWaalsContact OE2-OG 3.05Å; D352-S382 VanDerWaalsContact OD2-CB 3.29Å; D352-S382 WeakPolarHBondContact OD2-CB 3.28Å; D352-S382 PolarHBondContact OD2-OG 2.91Å; I380-S382 PolarHBondContact O-N 3.05Å; S382-K387 WeakPolarHBondContact O-CE 3.32Å; S382-K387 PolarHBondContact O-NZ 3.15Å
383	T	95.2	Very high	94.9	Very high	37 Å²	37	65.4 Å²	65.4	23%	0.227	37%	0.373	C	S	.	.	S	Bend	trans	-72.9	152	-174.8	77.2	0	0	0	0	112	I348 E349 D352 L385 G386 K387	I348-T383 WeakPolarHBondContact CG2-OG1 3.44Å; E349-T383 VanDerWaalsContact OE1-CB 3.27Å; E349-T383 WeakPolarHBondContact OE1-CB 3.12Å; E349-T383 WeakPolarHBondContact OE1-CG2 3.44Å; E349-T383 PolarHBondContact OE1-N 3.5Å; E349-T383 VanDerWaalsContact OE1-N 3.12Å; E349-T383 PolarHBondContact OE1-OG1 3.36Å; D352-T383 HydrophobicContact CB-CG2 4.07Å; T383-L385 VanDerWaalsContact C-N 3.3Å; T383-L385 PolarHBondContact O-N 2.75Å; T383-G386 PolarHBondContact O-N 2.87Å; T383-G386 WeakPolarHBondContact OG1-CA 3.44Å; T383-G386 PolarHBondContact OG1-N 3.2Å; T383-K387 WeakPolarHBondContact O-CG 3.31Å; T383-K387 PolarHBondContact O-N 3.48Å
384	V	95	Very high	95	Very high	114 Å²	114	62.7 Å²	62.7	69%	0.691	36%	0.358	S	S	*	.	H	α-helix	trans	-60.8	-43.3	177	179.6	0	0	0	0	110.6	K387 I388	V384-K387 PolarHBondContact O-N 3.16Å; V384-I388 HydrophobicContact CG1-CD1 4.27Å; V384-I388 WeakPolarHBondContact O-CG1 3.38Å; V384-I388 PolarHBondContact O-N 3.2Å; V384-I388 VanDerWaalsContact O-N 3.09Å
385	L	95.8	Very high	95	Very high	98 Å²	98	63.3 Å²	63.3	51%	0.513	36%	0.362	S	S	.	.	H	α-helix	trans	-67.1	-39.4	179.2	-171.7	62.9	0	0	0	111.5	I348 T383 K387 I388 I389	I348-L385 HydrophobicContact CD1-CD2 4.05Å; I348-L385 HydrophobicContact CD1-CG 3.98Å; I348-L385 HydrophobicContact CG1-CD2 3.99Å; I348-L385 HydrophobicContact CG1-CG 4.36Å; I348-L385 HydrophobicContact CG2-CB 4.02Å; I348-L385 HydrophobicContact CG2-CD2 4.27Å; I348-L385 HydrophobicContact CG2-CG 4.22Å; T383-L385 VanDerWaalsContact C-N 3.3Å; T383-L385 PolarHBondContact O-N 2.75Å; L385-K387 VanDerWaalsContact C-N 3.33Å; L385-K387 PolarHBondContact O-N 3.24Å; L385-I388 PolarHBondContact O-N 2.97Å; L385-I389 WeakPolarHBondContact O-CG1 3.34Å; L385-I389 PolarHBondContact O-N 3.23Å
386	G	95.8	Very high	94.9	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-63.3	-38.1	175.7	0	0	0	0	0	112.3	I345 E349 P381 T383 I389 G390	I345-G386 WeakPolarHBondContact CD1-O 3.44Å; E349-G386 WeakPolarHBondContact OE1-CA 3.48Å; P381-G386 VanDerWaalsContact CB-C 3.47Å; T383-G386 PolarHBondContact O-N 2.87Å; T383-G386 WeakPolarHBondContact OG1-CA 3.44Å; T383-G386 PolarHBondContact OG1-N 3.2Å; G386-I389 PolarHBondContact O-N 2.88Å; G386-G390 PolarHBondContact O-N 3.45Å
387	K	96.1	Very high	94.9	Very high	112 Å²	112	55.6 Å²	55.6	49%	0.487	32%	0.32	S	S	.	.	H	α-helix	trans	-65.1	-38.6	173	-70.1	171	-174	171.7	0	112.6	P381 S382 T383 V384 L385 S391	P381-K387 HydrophobicContact CB-CG 4.44Å; P381-K387 HydrophobicContact CG-CG 4.11Å; P381-K387 WeakPolarHBondContact O-CE 3.39Å; S382-K387 WeakPolarHBondContact O-CE 3.32Å; S382-K387 PolarHBondContact O-NZ 3.15Å; T383-K387 WeakPolarHBondContact O-CG 3.31Å; T383-K387 PolarHBondContact O-N 3.48Å; V384-K387 PolarHBondContact O-N 3.16Å; L385-K387 VanDerWaalsContact C-N 3.33Å; L385-K387 PolarHBondContact O-N 3.24Å; K387-S391 WeakPolarHBondContact O-CB 3.47Å; K387-S391 PolarHBondContact O-N 3.41Å; K387-S391 PolarHBondContact O-OG 3.23Å
388	I	97.5	Very high	94.9	Very high	89 Å²	89	56.8 Å²	56.8	46%	0.456	32%	0.319	S	S	.	.	H	α-helix	trans	-63.9	-49.4	174.3	-66.6	166.8	0	0	0	110	V384 L385 G390 S391 I392	V384-I388 HydrophobicContact CG1-CD1 4.27Å; V384-I388 WeakPolarHBondContact O-CG1 3.38Å; V384-I388 PolarHBondContact O-N 3.2Å; V384-I388 VanDerWaalsContact O-N 3.09Å; L385-I388 PolarHBondContact O-N 2.97Å; I388-G390 PolarHBondContact O-N 3.29Å; I388-S391 WeakPolarHBondContact O-CB 3.1Å; I388-S391 PolarHBondContact O-N 3.03Å; I388-I392 HydrophobicContact CG2-CD1 4.09Å; I388-I392 WeakPolarHBondContact O-CG1 3.32Å; I388-I392 PolarHBondContact O-N 3.34Å
389	I	96.5	Very high	94.7	Very high	31 Å²	31	57.6 Å²	57.6	16%	0.159	32%	0.322	C	S	.	.	H	α-helix	trans	-63.5	-41.7	177.9	-67.4	-56.7	0	0	0	111.8	F341 V344 I345 I348 L385 G386 S391 I392 C393	F341-I389 HydrophobicContact CD1-CG2 4.03Å; F341-I389 HydrophobicContact CE1-CG2 4.46Å; V344-I389 HydrophobicContact CG1-CD1 4.29Å; V344-I389 HydrophobicContact CG1-CG1 4.17Å; V344-I389 HydrophobicContact CG1-CG2 3.96Å; I345-I389 HydrophobicContact CD1-CB 4.33Å; I345-I389 HydrophobicContact CD1-CG2 4.22Å; I348-I389 HydrophobicContact CD1-CB 4.24Å; I348-I389 HydrophobicContact CD1-CG1 3.51Å; L385-I389 WeakPolarHBondContact O-CG1 3.34Å; L385-I389 PolarHBondContact O-N 3.23Å; G386-I389 PolarHBondContact O-N 2.88Å; I389-S391 VanDerWaalsContact C-N 3.27Å; I389-S391 PolarHBondContact O-N 3.4Å; I389-I392 HydrophobicContact CD1-CD1 4.45Å; I389-I392 PolarHBondContact O-N 2.85Å; I389-C393 VanDerWaalsContact O-CB 3.24Å; I389-C393 WeakPolarHBondContact O-CB 3.43Å; I389-C393 PolarHBondContact O-N 3.43Å
390	G	95.8	Very high	94.5	Very high	6 Å²	6	58 Å²	58	6%	0.062	33%	0.326	C	S	.	.	H	α-helix	trans	-60.8	-35.4	174.4	0	0	0	0	0	112.6	G386 I388 C393 S394	G386-G390 PolarHBondContact O-N 3.45Å; I388-G390 PolarHBondContact O-N 3.29Å; G390-C393 WeakPolarHBondContact O-CB 3.34Å; G390-C393 PolarHBondContact O-N 3.28Å; G390-S394 PolarHBondContact O-N 2.91Å; G390-S394 PolarHBondContact O-OG 3.27Å
391	S	95.4	Very high	94.2	Very high	77 Å²	77	55 Å²	55	54%	0.538	31%	0.311	S	S	.	.	H	α-helix	trans	-70.3	-40.4	174.8	-57.4	0	0	0	0	112.3	K387 I388 I389 C393 S394 L395	K387-S391 WeakPolarHBondContact O-CB 3.47Å; K387-S391 PolarHBondContact O-N 3.41Å; K387-S391 PolarHBondContact O-OG 3.23Å; I388-S391 WeakPolarHBondContact O-CB 3.1Å; I388-S391 PolarHBondContact O-N 3.03Å; I389-S391 VanDerWaalsContact C-N 3.27Å; I389-S391 PolarHBondContact O-N 3.4Å; S391-C393 VanDerWaalsContact C-N 3.34Å; S391-S394 PolarHBondContact O-OG 2.65Å; S391-L395 PolarHBondContact O-N 3.41Å
392	I	96.3	Very high	93.9	Very high	91 Å²	91	57.2 Å²	57.2	47%	0.467	33%	0.33	S	S	.	.	H	α-helix	trans	-66.2	-40.5	173.7	-65.3	168.7	0	0	0	110.2	F341 I388 I389 L395 C396	F341-I392 HydrophobicContact CE1-CG2 4.09Å; F341-I392 HydrophobicContact CZ-CG2 4.07Å; I388-I392 HydrophobicContact CG2-CD1 4.09Å; I388-I392 WeakPolarHBondContact O-CG1 3.32Å; I388-I392 PolarHBondContact O-N 3.34Å; I389-I392 HydrophobicContact CD1-CD1 4.45Å; I389-I392 PolarHBondContact O-N 2.85Å; I392-L395 PolarHBondContact O-N 3.48Å; I392-C396 VanDerWaalsContact O-CB 3.26Å; I392-C396 WeakPolarHBondContact O-CB 3.29Å; I392-C396 PolarHBondContact O-N 2.87Å
393	C	96	Very high	93.5	Very high	2 Å²	2	61.2 Å²	61.2	1%	0.014	35%	0.347	C	S	.	.	H	α-helix	trans	-60	-47	176.7	177.8	0	0	0	0	111.8	F341 I389 G390 S391 L395 C396 G397	F341-C393 HydrophobicContact CB-CB 4.42Å; F341-C393 HydrophobicContact CD1-CB 3.65Å; F341-C393 HydrophobicContact CD2-CB 4.29Å; F341-C393 HydrophobicContact CE1-CB 3.89Å; F341-C393 HydrophobicContact CG-CB 3.88Å; F341-C393 HydrophobicContact CZ-CB 4.32Å; I389-C393 VanDerWaalsContact O-CB 3.24Å; I389-C393 WeakPolarHBondContact O-CB 3.43Å; I389-C393 PolarHBondContact O-N 3.43Å; G390-C393 WeakPolarHBondContact O-CB 3.34Å; G390-C393 PolarHBondContact O-N 3.28Å; S391-C393 VanDerWaalsContact C-N 3.34Å; C393-L395 PolarHBondContact O-N 2.92Å; C393-C396 PolarHBondContact O-N 2.89Å; C393-G397 PolarHBondContact O-N 2.92Å
394	S	94.6	Very high	93	Very high	48 Å²	48	61 Å²	61	34%	0.336	35%	0.346	S	S	.	.	H	α-helix	trans	-63.7	-42.9	179	67.6	0	0	0	0	112.1	G390 S391 G397 V398	G390-S394 PolarHBondContact O-N 2.91Å; G390-S394 PolarHBondContact O-OG 3.27Å; S391-S394 PolarHBondContact O-OG 2.65Å; S394-G397 PolarHBondContact O-N 2.95Å; S394-V398 WeakPolarHBondContact O-CG2 3.2Å; S394-V398 PolarHBondContact O-N 3.04Å; S394-V398 VanDerWaalsContact O-N 3.1Å
395	L	94.1	Very high	92.5	Very high	114 Å²	114	58.9 Å²	58.9	60%	0.597	33%	0.333	S	S	*	.	H	α-helix	trans	-63.9	-44.8	175.8	-175.6	63.3	0	0	0	111.8	S391 I392 C393 V398 L399	S391-L395 PolarHBondContact O-N 3.41Å; I392-L395 PolarHBondContact O-N 3.48Å; C393-L395 PolarHBondContact O-N 2.92Å; L395-V398 PolarHBondContact O-N 2.88Å; L395-L399 HydrophobicContact CG-CD1 4.43Å; L395-L399 WeakPolarHBondContact O-CG 3.46Å; L395-L399 PolarHBondContact O-N 3.44Å; L395-L399 VanDerWaalsContact O-N 3.14Å
396	C	93.4	Very high	92.1	Very high	37 Å²	37	57.9 Å²	57.9	25%	0.25	33%	0.333	C	S	.	.	H	α-helix	trans	-62.3	-44.1	177.1	-173.4	0	0	0	0	111.5	F341 I392 C393 V398 L399 V400	F341-C396 HydrophobicContact CE2-CB 3.91Å; F341-C396 HydrophobicContact CZ-CB 4.04Å; I392-C396 VanDerWaalsContact O-CB 3.26Å; I392-C396 WeakPolarHBondContact O-CB 3.29Å; I392-C396 PolarHBondContact O-N 2.87Å; C393-C396 PolarHBondContact O-N 2.89Å; C396-V398 PolarHBondContact O-N 3.24Å; C396-L399 PolarHBondContact O-N 3.42Å; C396-L399 VanDerWaalsContact O-N 3.16Å; C396-V400 VanDerWaalsContact O-CG2 3.29Å; C396-V400 WeakPolarHBondContact O-CG2 3.15Å; C396-V400 PolarHBondContact O-N 3.42Å
397	G	93.3	Very high	91.5	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-60.2	-44.6	178.4	0	0	0	0	0	113.2	C393 S394 L399 V400 I401	C393-G397 PolarHBondContact O-N 2.92Å; S394-G397 PolarHBondContact O-N 2.95Å; G397-L399 VanDerWaalsContact C-N 3.34Å; G397-L399 PolarHBondContact O-N 3.37Å; G397-V400 PolarHBondContact O-N 3.18Å; G397-I401 WeakPolarHBondContact O-CG1 3.48Å; G397-I401 PolarHBondContact O-N 3.39Å
398	V	91.4	Very high	90.9	Very high	70 Å²	70	58.3 Å²	58.3	42%	0.424	34%	0.343	S	S	.	.	H	α-helix	trans	-59.1	-45.8	173.8	172.4	0	0	0	0	110.7	T373 S394 L395 C396 A402	T373-V398 HydrophobicContact CG2-CG2 3.68Å; S394-V398 WeakPolarHBondContact O-CG2 3.2Å; S394-V398 PolarHBondContact O-N 3.04Å; S394-V398 VanDerWaalsContact O-N 3.1Å; L395-V398 PolarHBondContact O-N 2.88Å; C396-V398 PolarHBondContact O-N 3.24Å; V398-A402 WeakPolarHBondContact O-CB 3.19Å; V398-A402 PolarHBondContact O-N 3.08Å
399	L	90.3	Very high	90.4	Very high	103 Å²	103	58.3 Å²	58.3	54%	0.539	35%	0.346	S	S	.	.	H	α-helix	trans	-64.3	-43.7	179.4	-69.4	171.3	0	0	0	112.7	L395 C396 G397 L403	L395-L399 HydrophobicContact CG-CD1 4.43Å; L395-L399 WeakPolarHBondContact O-CG 3.46Å; L395-L399 PolarHBondContact O-N 3.44Å; L395-L399 VanDerWaalsContact O-N 3.14Å; C396-L399 PolarHBondContact O-N 3.42Å; C396-L399 VanDerWaalsContact O-N 3.16Å; G397-L399 VanDerWaalsContact C-N 3.34Å; G397-L399 PolarHBondContact O-N 3.37Å; L399-L403 WeakPolarHBondContact O-CG 3.35Å; L399-L403 PolarHBondContact O-N 2.97Å
400	V	90	Very high	89.9	Confident	28 Å²	28	60.4 Å²	60.4	17%	0.17	36%	0.364	C	S	.	.	H	α-helix	trans	-65.7	-39.8	-178.8	171	0	0	0	0	111.6	L334 V337 C396 G397 P404	L334-V400 HydrophobicContact CD1-CG1 4.16Å; V337-V400 HydrophobicContact CG2-CG2 4.41Å; C396-V400 VanDerWaalsContact O-CG2 3.29Å; C396-V400 WeakPolarHBondContact O-CG2 3.15Å; C396-V400 PolarHBondContact O-N 3.42Å; G397-V400 PolarHBondContact O-N 3.18Å; V400-P404 WeakPolarHBondContact O-CD 3.39Å
401	I	88.6	Confident	89.2	Confident	46 Å²	46	61.1 Å²	61.1	24%	0.236	37%	0.366	C	S	.	.	H	α-helix	trans	-82.7	-36	-179.4	-63.4	174.1	0	0	0	111.5	L334 M371 T372 G397 L403 P404 V405	L334-I401 HydrophobicContact CD1-CD1 4.08Å; L334-I401 HydrophobicContact CD1-CG1 3.91Å; M371-I401 WeakPolarHBondContact O-CD1 3.37Å; T372-I401 HydrophobicContact CG2-CD1 4.17Å; G397-I401 WeakPolarHBondContact O-CG1 3.48Å; G397-I401 PolarHBondContact O-N 3.39Å; I401-L403 VanDerWaalsContact C-N 3.35Å; I401-L403 PolarHBondContact O-N 2.71Å; I401-P404 WeakPolarHBondContact O-CD 3.46Å; I401-V405 HydrophobicContact CG2-CG2 4.14Å; I401-V405 VanDerWaalsContact O-CG2 3.25Å; I401-V405 WeakPolarHBondContact O-CG2 3.48Å
402	A	87.9	Confident	88.6	Confident	54 Å²	54	60.9 Å²	60.9	45%	0.446	36%	0.356	S	S	.	.	H	α-helix	trans	-69.7	-27.5	-174.2	0	0	0	0	0	113.9	V398 P406	V398-A402 WeakPolarHBondContact O-CB 3.19Å; V398-A402 PolarHBondContact O-N 3.08Å; A402-P406 WeakPolarHBondContact O-CD 3.13Å; A402-P406 WeakPolarHBondContact O-CG 3.43Å
403	L	85.3	Confident	88.1	Confident	129 Å²	129	58.8 Å²	58.8	68%	0.675	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-44.5	-178.3	-65.6	173.5	0	0	0	113.5	L399 I401 P406	L399-L403 WeakPolarHBondContact O-CG 3.35Å; L399-L403 PolarHBondContact O-N 2.97Å; I401-L403 VanDerWaalsContact C-N 3.35Å; I401-L403 PolarHBondContact O-N 2.71Å; L403-P406 WeakPolarHBondContact O-CD 3.35Å
404	P	83.2	Confident	87.4	Confident	33 Å²	33	63.9 Å²	63.9	21%	0.214	37%	0.368	C	S	.	.	H	α-helix	trans	-79.1	-28	-176.6	-24.4	41.2	0	0	0	114	L330 V400 I401 V407 I408	L330-P404 HydrophobicContact CB-CB 4.43Å; L330-P404 HydrophobicContact CD1-CB 4.18Å; L330-P404 HydrophobicContact CD1-CG 3.85Å; L330-P404 HydrophobicContact CD2-CB 4.26Å; V400-P404 WeakPolarHBondContact O-CD 3.39Å; I401-P404 WeakPolarHBondContact O-CD 3.46Å; P404-V407 WeakPolarHBondContact O-CB 3.27Å; P404-V407 PolarHBondContact O-N 3Å; P404-V407 VanDerWaalsContact O-N 3.14Å; P404-I408 WeakPolarHBondContact O-CG1 3.15Å; P404-I408 PolarHBondContact O-N 3.4Å
405	V	85.7	Confident	86.8	Confident	68 Å²	68	63.4 Å²	63.4	41%	0.412	36%	0.361	S	S	.	.	H	α-helix	trans	-58.8	-47.6	-177.4	169.9	0	0	0	0	112.6	I401 V407 I408 V409	I401-V405 HydrophobicContact CG2-CG2 4.14Å; I401-V405 VanDerWaalsContact O-CG2 3.25Å; I401-V405 WeakPolarHBondContact O-CG2 3.48Å; V405-V407 VanDerWaalsContact C-N 3.3Å; V405-V407 PolarHBondContact O-N 3.47Å; V405-I408 PolarHBondContact O-N 3.22Å; V405-V409 HydrophobicContact CG1-CG2 4.33Å; V405-V409 VanDerWaalsContact O-CG2 3.31Å; V405-V409 WeakPolarHBondContact O-CG2 3.44Å; V405-V409 PolarHBondContact O-N 3.5Å
406	P	87.2	Confident	86.2	Confident	78 Å²	78	62.9 Å²	62.9	51%	0.506	35%	0.352	S	S	.	.	H	α-helix	trans	-59.2	-36.3	174.5	-26.8	35.3	0	0	0	114.1	A402 L403 V409 S410	A402-P406 WeakPolarHBondContact O-CD 3.13Å; A402-P406 WeakPolarHBondContact O-CG 3.43Å; L403-P406 WeakPolarHBondContact O-CD 3.35Å; P406-V409 PolarHBondContact O-N 3.48Å; P406-S410 VanDerWaalsContact O-CB 3.3Å; P406-S410 WeakPolarHBondContact O-CB 3.46Å; P406-S410 PolarHBondContact O-N 3.17Å
407	V	83.6	Confident	85.7	Confident	79 Å²	79	65.1 Å²	65.1	48%	0.479	36%	0.359	S	S	.	.	H	α-helix	trans	-65.1	-46.9	177.3	-179.1	0	0	0	0	110	P404 V405 V409 S410 N411	P404-V407 WeakPolarHBondContact O-CB 3.27Å; P404-V407 PolarHBondContact O-N 3Å; P404-V407 VanDerWaalsContact O-N 3.14Å; V405-V407 VanDerWaalsContact C-N 3.3Å; V405-V407 PolarHBondContact O-N 3.47Å; V407-V409 PolarHBondContact O-N 2.86Å; V407-S410 PolarHBondContact O-N 3.36Å; V407-N411 PolarHBondContact O-N 3.26Å
408	I	83.7	Confident	84.9	Confident	42 Å²	42	68.4 Å²	68.4	22%	0.215	37%	0.372	C	S	.	.	H	α-helix	trans	-61.2	-44.1	176.2	-63.9	167.2	0	0	0	110.9	L330 P404 V405 N411 F412	L330-I408 HydrophobicContact CD2-CD1 4.34Å; P404-I408 WeakPolarHBondContact O-CG1 3.15Å; P404-I408 PolarHBondContact O-N 3.4Å; V405-I408 PolarHBondContact O-N 3.22Å; I408-N411 PolarHBondContact O-N 2.91Å; I408-F412 WeakPolarHBondContact O-CB 3.32Å; I408-F412 PolarHBondContact O-N 2.89Å
409	V	87	Confident	84.3	Confident	88 Å²	88	69 Å²	69	53%	0.533	37%	0.368	S	S	.	.	H	α-helix	trans	-64.8	-40.6	178.6	171.3	0	0	0	0	111.6	V405 P406 V407 F412 S413	V405-V409 HydrophobicContact CG1-CG2 4.33Å; V405-V409 VanDerWaalsContact O-CG2 3.31Å; V405-V409 WeakPolarHBondContact O-CG2 3.44Å; V405-V409 PolarHBondContact O-N 3.5Å; P406-V409 PolarHBondContact O-N 3.48Å; V407-V409 PolarHBondContact O-N 2.86Å; V409-F412 PolarHBondContact O-N 2.83Å; V409-S413 WeakPolarHBondContact O-CB 3.23Å; V409-S413 PolarHBondContact O-N 3.14Å
410	S	85.7	Confident	83.7	Confident	76 Å²	76	69.4 Å²	69.4	53%	0.531	37%	0.368	S	S	.	.	H	α-helix	trans	-61.3	-47.6	175.5	-177	0	0	0	0	111.3	P406 V407 F412 S413 R414	P406-S410 VanDerWaalsContact O-CB 3.3Å; P406-S410 WeakPolarHBondContact O-CB 3.46Å; P406-S410 PolarHBondContact O-N 3.17Å; V407-S410 PolarHBondContact O-N 3.36Å; S410-F412 PolarHBondContact O-N 3.12Å; S410-S413 PolarHBondContact O-N 3.18Å; S410-R414 WeakPolarHBondContact O-CB 3.32Å; S410-R414 PolarHBondContact O-N 2.65Å
411	N	81.1	Confident	83.1	Confident	20 Å²	20	75 Å²	75	11%	0.107	39%	0.386	C	S	.	.	H	α-helix	trans	-60.5	-43.7	175.6	-80.7	-15.5	0	0	0	112.1	V407 I408 R414 I415	V407-N411 PolarHBondContact O-N 3.26Å; I408-N411 PolarHBondContact O-N 2.91Å; N411-R414 PolarHBondContact O-N 3.2Å; N411-R414 PolarHBondContact OD1-NH2 3.24Å; N411-I415 WeakPolarHBondContact O-CG1 3.4Å; N411-I415 PolarHBondContact O-N 3.34Å
412	F	82.1	Confident	82.5	Confident	72 Å²	72	74.2 Å²	74.2	32%	0.316	39%	0.386	S	S	.	.	H	α-helix	trans	-60.3	-48.2	175.4	-179	-88.5	0	0	0	112.2	L316 T319 I408 V409 S410 R414 I415 Y416	L316-F412 HydrophobicContact CB-CE2 4.49Å; L316-F412 HydrophobicContact CD1-CD2 4.25Å; L316-F412 HydrophobicContact CD1-CE2 3.72Å; T319-F412 HydrophobicContact CG2-CB 3.93Å; T319-F412 HydrophobicContact CG2-CD2 3.55Å; T319-F412 HydrophobicContact CG2-CE2 4.49Å; T319-F412 HydrophobicContact CG2-CG 4.15Å; I408-F412 WeakPolarHBondContact O-CB 3.32Å; I408-F412 PolarHBondContact O-N 2.89Å; V409-F412 PolarHBondContact O-N 2.83Å; S410-F412 PolarHBondContact O-N 3.12Å; F412-R414 VanDerWaalsContact C-N 3.3Å; F412-R414 PolarHBondContact O-N 3.18Å; F412-I415 PolarHBondContact O-N 3.06Å; F412-Y416 HydrophobicContact CZ-CD2 4.5Å; F412-Y416 VanDerWaalsContact O-CB 3.26Å; F412-Y416 WeakPolarHBondContact O-CB 3.16Å; F412-Y416 PolarHBondContact O-N 3.37Å
413	S	85.3	Confident	81.8	Confident	48 Å²	48	74.7 Å²	74.7	34%	0.336	38%	0.381	S	S	.	.	H	α-helix	trans	-59.6	-42.6	178.3	-169.1	0	0	0	0	111.4	V409 S410 Y416 Q417	V409-S413 WeakPolarHBondContact O-CB 3.23Å; V409-S413 PolarHBondContact O-N 3.14Å; S410-S413 PolarHBondContact O-N 3.18Å; S413-Y416 PolarHBondContact O-N 3.33Å; S413-Q417 WeakPolarHBondContact O-CB 3.22Å; S413-Q417 VanDerWaalsContact O-CG 3.24Å; S413-Q417 WeakPolarHBondContact O-CG 3.32Å; S413-Q417 PolarHBondContact O-N 3.44Å; S413-Q417 PolarHBondContact OG-NE2 3.07Å
414	R	82	Confident	81.3	Confident	108 Å²	108	76.3 Å²	76.3	41%	0.408	38%	0.378	S	S	.	.	H	α-helix	trans	-59.5	-51.1	176.5	-176.5	174	63.1	176.1	-2.5	111.9	S410 N411 F412 R418	S410-R414 WeakPolarHBondContact O-CB 3.32Å; S410-R414 PolarHBondContact O-N 2.65Å; N411-R414 PolarHBondContact O-N 3.2Å; N411-R414 PolarHBondContact OD1-NH2 3.24Å; F412-R414 VanDerWaalsContact C-N 3.3Å; F412-R414 PolarHBondContact O-N 3.18Å; R414-R418 WeakPolarHBondContact O-CB 3.47Å; R414-R418 VanDerWaalsContact O-CG 3.31Å; R414-R418 WeakPolarHBondContact O-CG 3.37Å; R414-R418 PolarHBondContact O-N 3.13Å
415	I	81.6	Confident	80.8	Confident	38 Å²	38	78.6 Å²	78.6	20%	0.195	39%	0.386	C	S	.	.	H	α-helix	trans	-64.9	-43.3	-179.7	-68.8	168.1	0	0	0	111	T319 N411 F412 R418 K419	T319-I415 HydrophobicContact CG2-CB 4.44Å; T319-I415 HydrophobicContact CG2-CD1 3.71Å; N411-I415 WeakPolarHBondContact O-CG1 3.4Å; N411-I415 PolarHBondContact O-N 3.34Å; F412-I415 PolarHBondContact O-N 3.06Å; I415-R418 PolarHBondContact O-N 3.17Å; I415-K419 PolarHBondContact O-N 2.98Å
416	Y	82	Confident	80.2	Confident	104 Å²	104	77.3 Å²	77.3	41%	0.408	38%	0.382	S	S	.	.	H	α-helix	trans	-61.7	-48.3	178.8	-178	-94	0	0	0	111.9	I315 F412 S413 R418 K419 Q420	I315-Y416 HydrophobicContact CG2-CD2 4.23Å; F412-Y416 HydrophobicContact CZ-CD2 4.5Å; F412-Y416 VanDerWaalsContact O-CB 3.26Å; F412-Y416 WeakPolarHBondContact O-CB 3.16Å; F412-Y416 PolarHBondContact O-N 3.37Å; S413-Y416 PolarHBondContact O-N 3.33Å; Y416-R418 VanDerWaalsContact C-N 3.35Å; Y416-R418 PolarHBondContact O-N 3.04Å; Y416-K419 PolarHBondContact O-N 3Å; Y416-Q420 PolarHBondContact O-N 3.34Å
417	Q	82.1	Confident	79.5	Confident	83 Å²	83	78.7 Å²	78.7	39%	0.388	38%	0.383	S	S	.	.	H	α-helix	trans	-63.2	-40	177.5	-72.4	-178.4	26.2	0	0	112.1	S413 Q420 R421	S413-Q417 WeakPolarHBondContact O-CB 3.22Å; S413-Q417 VanDerWaalsContact O-CG 3.24Å; S413-Q417 WeakPolarHBondContact O-CG 3.32Å; S413-Q417 PolarHBondContact O-N 3.44Å; S413-Q417 PolarHBondContact OG-NE2 3.07Å; Q417-Q420 PolarHBondContact O-N 3.26Å; Q417-R421 WeakPolarHBondContact O-CG 3.39Å; Q417-R421 PolarHBondContact O-N 3Å
418	R	78.3	Confident	79	Confident	70 Å²	70	80.8 Å²	80.8	26%	0.264	38%	0.382	S	S	.	.	H	α-helix	trans	-57.5	-48.5	173.9	-79.6	178.8	172	170.4	0.9	111	D142 R414 I415 Y416 Q420 R421 A422	D142-R418 VanDerWaalsContact CG-CZ 3.48Å; D142-R418 IonicContact OD1-CZ 3.41Å; D142-R418 IonicContact OD1-NE 3.05Å; D142-R418 PolarHBondContact OD1-NE 2.72Å; D142-R418 VanDerWaalsContact OD1-NE 3.12Å; D142-R418 IonicContact OD1-NH1 3.88Å; D142-R418 PolarHBondContact OD1-NH1 3.04Å; D142-R418 IonicContact OD1-NH2 2.97Å; D142-R418 PolarHBondContact OD1-NH2 3.21Å; D142-R418 IonicContact OD2-CZ 3.75Å; D142-R418 IonicContact OD2-NE 3.24Å; D142-R418 PolarHBondContact OD2-NE 2.91Å; D142-R418 IonicContact OD2-NH2 3.62Å; D142-R418 PolarHBondContact OD2-NH2 3.24Å; R414-R418 WeakPolarHBondContact O-CB 3.47Å; R414-R418 VanDerWaalsContact O-CG 3.31Å; R414-R418 WeakPolarHBondContact O-CG 3.37Å; R414-R418 PolarHBondContact O-N 3.13Å; I415-R418 PolarHBondContact O-N 3.17Å; Y416-R418 VanDerWaalsContact C-N 3.35Å; Y416-R418 PolarHBondContact O-N 3.04Å; R418-Q420 VanDerWaalsContact C-N 3.34Å; R418-Q420 PolarHBondContact O-N 2.92Å; R418-R421 PolarHBondContact O-N 3.17Å; R418-A422 PolarHBondContact O-N 3.01Å
419	K	77.1	Confident	78.3	Confident	81 Å²	81	82 Å²	82	35%	0.352	39%	0.387	S	S	.	.	H	α-helix	trans	-65.6	-37	179.4	-165.2	64.5	-179.5	176.1	0	112.6	I315 I415 Y416 A422 N423	I315-K419 HydrophobicContact CD1-CG 4.08Å; I315-K419 HydrophobicContact CG1-CG 4.39Å; I415-K419 PolarHBondContact O-N 2.98Å; Y416-K419 PolarHBondContact O-N 3Å; K419-A422 PolarHBondContact O-N 3.48Å; K419-N423 VanDerWaalsContact O-CG 3.24Å; K419-N423 PolarHBondContact O-N 2.96Å; K419-N423 PolarHBondContact O-OD1 3.44Å
420	Q	78.1	Confident	77.7	Confident	113 Å²	113	80.7 Å²	80.7	53%	0.528	38%	0.381	S	S	.	.	H	α-helix	trans	-64.4	-41.8	175.9	-169.1	179.3	54	0	0	112.1	Y416 Q417 R418 N423 R424	Y416-Q420 PolarHBondContact O-N 3.34Å; Q417-Q420 PolarHBondContact O-N 3.26Å; R418-Q420 VanDerWaalsContact C-N 3.34Å; R418-Q420 PolarHBondContact O-N 2.92Å; Q420-N423 PolarHBondContact O-N 3.39Å; Q420-R424 WeakPolarHBondContact O-CB 3.41Å; Q420-R424 PolarHBondContact O-N 3.32Å
421	R	77.2	Confident	77.3	Confident	146 Å²	146	81.8 Å²	81.8	55%	0.551	38%	0.381	S	S	*	.	H	α-helix	trans	-63.5	-44.8	175.1	-70.4	173.5	-170.7	174.6	5.2	111.4	Q417 R418 R424 Q425	Q417-R421 WeakPolarHBondContact O-CG 3.39Å; Q417-R421 PolarHBondContact O-N 3Å; R418-R421 PolarHBondContact O-N 3.17Å; R421-R424 PolarHBondContact O-N 3.03Å; R421-Q425 WeakPolarHBondContact O-CG 3.47Å; R421-Q425 PolarHBondContact O-N 2.77Å
422	A	75.8	Confident	77	Confident	28 Å²	28	88.7 Å²	88.7	23%	0.231	41%	0.405	C	S	.	.	H	α-helix	trans	-59.3	-48.9	176.5	0	0	0	0	0	111.6	R418 K419 R424 Q425 A426	R418-A422 PolarHBondContact O-N 3.01Å; K419-A422 PolarHBondContact O-N 3.48Å; A422-R424 VanDerWaalsContact C-N 3.29Å; A422-R424 PolarHBondContact O-N 2.62Å; A422-Q425 PolarHBondContact O-N 2.9Å; A422-Q425 VanDerWaalsContact O-N 3.17Å; A422-A426 WeakPolarHBondContact O-CB 3.27Å; A422-A426 PolarHBondContact O-N 3.4Å
423	N	74.8	Confident	76.8	Confident	64 Å²	64	90 Å²	90	34%	0.342	41%	0.414	S	S	.	.	H	α-helix	trans	-60.3	-39.2	176.9	-67.5	-7.1	0	0	0	111.9	Q311 K419 Q420 M427	Q311-N423 PolarHBondContact NE2-ND2 3.26Å; K419-N423 VanDerWaalsContact O-CG 3.24Å; K419-N423 PolarHBondContact O-N 2.96Å; K419-N423 PolarHBondContact O-OD1 3.44Å; Q420-N423 PolarHBondContact O-N 3.39Å; N423-M427 WeakPolarHBondContact O-CB 3.24Å; N423-M427 PolarHBondContact O-N 3.39Å
424	R	74.1	Confident	76.4	Confident	164 Å²	164	89.9 Å²	89.9	62%	0.619	42%	0.416	S	S	*	.	H	α-helix	trans	-68.1	-36.5	177.7	-166.9	178.5	-169.5	-157.6	3.9	112.3	Q420 R421 A422 R428	Q420-R424 WeakPolarHBondContact O-CB 3.41Å; Q420-R424 PolarHBondContact O-N 3.32Å; R421-R424 PolarHBondContact O-N 3.03Å; A422-R424 VanDerWaalsContact C-N 3.29Å; A422-R424 PolarHBondContact O-N 2.62Å; R424-R428 VanDerWaalsContact O-CG 3.29Å; R424-R428 WeakPolarHBondContact O-CG 3.37Å; R424-R428 PolarHBondContact O-N 3.17Å; R424-R428 VanDerWaalsContact O-N 3.16Å
425	Q	73	Confident	76.2	Confident	81 Å²	81	89.4 Å²	89.4	38%	0.379	42%	0.421	S	S	.	.	H	α-helix	trans	-70.2	-46.9	176	-75.9	175.3	-31.2	0	0	111.4	R421 A422 M427 R428 Q429	R421-Q425 WeakPolarHBondContact O-CG 3.47Å; R421-Q425 PolarHBondContact O-N 2.77Å; A422-Q425 PolarHBondContact O-N 2.9Å; A422-Q425 VanDerWaalsContact O-N 3.17Å; Q425-M427 VanDerWaalsContact C-N 3.3Å; Q425-M427 PolarHBondContact O-N 3.47Å; Q425-R428 WeakPolarHBondContact O-CB 3.27Å; Q425-R428 PolarHBondContact O-N 3.39Å; Q425-Q429 WeakPolarHBondContact O-CG 3.37Å; Q425-Q429 PolarHBondContact O-N 3.27Å
426	A	72.1	Confident	75.9	Confident	40 Å²	40	93.2 Å²	93.2	33%	0.331	44%	0.438	S	S	.	.	H	α-helix	trans	-57	-43.7	175.6	0	0	0	0	0	111.6	A422 R428 Q429 S430	A422-A426 WeakPolarHBondContact O-CB 3.27Å; A422-A426 PolarHBondContact O-N 3.4Å; A426-R428 VanDerWaalsContact C-N 3.34Å; A426-R428 PolarHBondContact O-N 2.88Å; A426-Q429 PolarHBondContact O-N 3.4Å; A426-S430 PolarHBondContact O-N 3.26Å; A426-S430 PolarHBondContact O-OG 2.85Å
427	M	73.2	Confident	75.6	Confident	108 Å²	108	92.5 Å²	92.5	53%	0.532	44%	0.441	S	S	.	.	H	α-helix	trans	-61.9	-38.7	174.2	-178.6	63.1	80.2	0	0	112.6	N423 Q425 S430 L431	N423-M427 WeakPolarHBondContact O-CB 3.24Å; N423-M427 PolarHBondContact O-N 3.39Å; Q425-M427 VanDerWaalsContact C-N 3.3Å; Q425-M427 PolarHBondContact O-N 3.47Å; M427-S430 PolarHBondContact O-OG 3.16Å; M427-L431 HydrophobicContact CG-CD1 4.26Å; M427-L431 WeakPolarHBondContact O-CB 3.37Å; M427-L431 WeakPolarHBondContact O-CD1 3.42Å; M427-L431 VanDerWaalsContact O-CG 3.22Å; M427-L431 WeakPolarHBondContact O-CG 3.39Å; M427-L431 PolarHBondContact O-N 2.97Å; M427-L431 VanDerWaalsContact O-N 3.15Å; M427-L431 HydrophobicContact SD-CD1 4.48Å
428	R	72.7	Confident	75.2	Confident	123 Å²	123	91.2 Å²	91.2	46%	0.464	44%	0.441	S	S	.	.	H	α-helix	trans	-68.9	-38.8	176.7	-74.7	169.8	174.9	-174.6	-4.1	112	R424 Q425 A426 R432	R424-R428 VanDerWaalsContact O-CG 3.29Å; R424-R428 WeakPolarHBondContact O-CG 3.37Å; R424-R428 PolarHBondContact O-N 3.17Å; R424-R428 VanDerWaalsContact O-N 3.16Å; Q425-R428 WeakPolarHBondContact O-CB 3.27Å; Q425-R428 PolarHBondContact O-N 3.39Å; A426-R428 VanDerWaalsContact C-N 3.34Å; A426-R428 PolarHBondContact O-N 2.88Å; R428-R432 WeakPolarHBondContact O-CG 3.35Å; R428-R432 PolarHBondContact O-N 3.48Å; R428-R432 VanDerWaalsContact O-N 3.09Å
429	Q	69.9	Low	75	Confident	68 Å²	68	96.8 Å²	96.8	32%	0.318	46%	0.462	S	S	.	.	H	α-helix	trans	-67.2	-45.2	177.1	-72.8	172.8	-11.4	0	0	111.1	Q425 A426 L431 R432 M433	Q425-Q429 WeakPolarHBondContact O-CG 3.37Å; Q425-Q429 PolarHBondContact O-N 3.27Å; A426-Q429 PolarHBondContact O-N 3.4Å; Q429-L431 VanDerWaalsContact C-N 3.31Å; Q429-L431 PolarHBondContact O-N 2.96Å; Q429-R432 PolarHBondContact O-N 3.36Å; Q429-R432 VanDerWaalsContact O-N 3.11Å; Q429-M433 WeakPolarHBondContact O-CG 3.44Å; Q429-M433 PolarHBondContact O-N 3.31Å
430	S	73.7	Confident	74.6	Confident	59 Å²	59	98.6 Å²	98.6	41%	0.413	48%	0.481	S	S	.	.	H	α-helix	trans	-61.4	-39.3	177.6	66.7	0	0	0	0	112.1	A426 M427 A434	A426-S430 PolarHBondContact O-N 3.26Å; A426-S430 PolarHBondContact O-OG 2.85Å; M427-S430 PolarHBondContact O-OG 3.16Å; S430-A434 VanDerWaalsContact O-CB 3.31Å; S430-A434 WeakPolarHBondContact O-CB 3.36Å; S430-A434 PolarHBondContact O-N 3.19Å
431	L	76.6	Confident	73.8	Confident	99 Å²	99	98.8 Å²	98.8	52%	0.518	48%	0.484	S	S	.	.	H	α-helix	trans	-64.7	-39.2	173.4	-72.4	169.8	0	0	0	112.9	M427 Q429 N435	M427-L431 HydrophobicContact CG-CD1 4.26Å; M427-L431 WeakPolarHBondContact O-CB 3.37Å; M427-L431 WeakPolarHBondContact O-CD1 3.42Å; M427-L431 VanDerWaalsContact O-CG 3.22Å; M427-L431 WeakPolarHBondContact O-CG 3.39Å; M427-L431 PolarHBondContact O-N 2.97Å; M427-L431 VanDerWaalsContact O-N 3.15Å; M427-L431 HydrophobicContact SD-CD1 4.48Å; Q429-L431 VanDerWaalsContact C-N 3.31Å; Q429-L431 PolarHBondContact O-N 2.96Å; L431-N435 WeakPolarHBondContact O-CB 3.39Å; L431-N435 VanDerWaalsContact O-CG 3.22Å; L431-N435 PolarHBondContact O-N 2.96Å; L431-N435 PolarHBondContact O-ND2 3.49Å
432	R	75.7	Confident	72.4	Confident	165 Å²	165	98.8 Å²	98.8	62%	0.623	49%	0.49	S	S	*	.	H	α-helix	trans	-65	-48.3	175.8	-74.3	172.7	-177	-179	-1.9	111.5	R428 Q429 A434 N435 E436	R428-R432 WeakPolarHBondContact O-CG 3.35Å; R428-R432 PolarHBondContact O-N 3.48Å; R428-R432 VanDerWaalsContact O-N 3.09Å; Q429-R432 PolarHBondContact O-N 3.36Å; Q429-R432 VanDerWaalsContact O-N 3.11Å; R432-A434 VanDerWaalsContact C-N 3.32Å; R432-A434 PolarHBondContact O-N 2.94Å; R432-N435 WeakPolarHBondContact O-CB 3.29Å; R432-N435 PolarHBondContact O-N 3.25Å; R432-N435 VanDerWaalsContact O-N 3.16Å; R432-E436 WeakPolarHBondContact O-CG 3.4Å; R432-E436 PolarHBondContact O-N 3.05Å
433	M	76.9	Confident	71.1	Confident	100 Å²	100	102.4 Å²	102.4	49%	0.493	51%	0.511	S	S	.	.	H	α-helix	trans	-60.8	-41	177.1	-68.4	177.5	179.5	0	0	111.8	Q429 N435 E436 L437	Q429-M433 WeakPolarHBondContact O-CG 3.44Å; Q429-M433 PolarHBondContact O-N 3.31Å; M433-N435 VanDerWaalsContact C-N 3.35Å; M433-N435 PolarHBondContact O-N 3.03Å; M433-E436 PolarHBondContact O-N 3.19Å; M433-L437 WeakPolarHBondContact O-CB 3.22Å; M433-L437 PolarHBondContact O-N 3.04Å
434	A	76.7	Confident	69.5	Low	45 Å²	45	105.6 Å²	105.6	37%	0.372	53%	0.533	S	S	.	.	H	α-helix	trans	-63.4	-39.4	175.5	0	0	0	0	0	112.4	S430 R432 S438	S430-A434 VanDerWaalsContact O-CB 3.31Å; S430-A434 WeakPolarHBondContact O-CB 3.36Å; S430-A434 PolarHBondContact O-N 3.19Å; R432-A434 VanDerWaalsContact C-N 3.32Å; R432-A434 PolarHBondContact O-N 2.94Å; A434-S438 WeakPolarHBondContact O-CB 3.34Å; A434-S438 PolarHBondContact O-N 3.13Å; A434-S438 PolarHBondContact O-OG 2.98Å
435	N	78.5	Confident	67.8	Low	99 Å²	99	104.8 Å²	104.8	53%	0.529	54%	0.541	S	S	.	.	H	α-helix	trans	-68.6	-40.1	175.5	-73.7	-20.9	0	0	0	112.2	L431 R432 M433 S438 R439	L431-N435 WeakPolarHBondContact O-CB 3.39Å; L431-N435 VanDerWaalsContact O-CG 3.22Å; L431-N435 PolarHBondContact O-N 2.96Å; L431-N435 PolarHBondContact O-ND2 3.49Å; R432-N435 WeakPolarHBondContact O-CB 3.29Å; R432-N435 PolarHBondContact O-N 3.25Å; R432-N435 VanDerWaalsContact O-N 3.16Å; M433-N435 VanDerWaalsContact C-N 3.35Å; M433-N435 PolarHBondContact O-N 3.03Å; N435-S438 PolarHBondContact O-N 3.3Å; N435-R439 WeakPolarHBondContact O-CG 3.44Å; N435-R439 PolarHBondContact O-N 2.89Å
436	E	76.1	Confident	66	Low	118 Å²	118	107.6 Å²	107.6	55%	0.551	56%	0.559	S	S	*	*	H	α-helix	trans	-63.6	-49	175.6	-75.8	169.8	-170.2	0	0	111	R432 M433 S438 R439 T440	R432-E436 WeakPolarHBondContact O-CG 3.4Å; R432-E436 PolarHBondContact O-N 3.05Å; M433-E436 PolarHBondContact O-N 3.19Å; E436-S438 VanDerWaalsContact C-N 3.27Å; E436-S438 PolarHBondContact O-N 3.28Å; E436-R439 WeakPolarHBondContact O-CA 3.43Å; E436-R439 WeakPolarHBondContact O-CB 3.29Å; E436-R439 PolarHBondContact O-N 3.12Å; E436-T440 PolarHBondContact O-N 3.17Å; E436-T440 PolarHBondContact O-OG1 2.79Å
437	L	75.4	Confident	64.1	Low	88 Å²	88	114.6 Å²	114.6	46%	0.461	59%	0.585	S	S	.	*	H	α-helix	trans	-58.7	-40.6	175.5	-176.4	63.5	0	0	0	111.7	M433 R439 T440 I441	M433-L437 WeakPolarHBondContact O-CB 3.22Å; M433-L437 PolarHBondContact O-N 3.04Å; L437-R439 VanDerWaalsContact C-N 3.26Å; L437-R439 PolarHBondContact O-N 2.69Å; L437-T440 PolarHBondContact O-N 3.46Å; L437-I441 HydrophobicContact CD1-CD1 3.89Å; L437-I441 HydrophobicContact CD1-CG1 4.44Å; L437-I441 HydrophobicContact CG-CD1 3.78Å; L437-I441 WeakPolarHBondContact O-CB 3.39Å; L437-I441 WeakPolarHBondContact O-CD1 3.48Å; L437-I441 VanDerWaalsContact O-CG1 3.22Å; L437-I441 WeakPolarHBondContact O-CG1 3.23Å; L437-I441 PolarHBondContact O-N 2.98Å; L437-I441 VanDerWaalsContact O-N 3.08Å
438	S	74.3	Confident	62.1	Low	57 Å²	57	115.3 Å²	115.3	40%	0.399	60%	0.595	S	S	.	*	H	α-helix	trans	-64.5	-30	175.8	-60.8	0	0	0	0	112.6	A434 N435 E436 Q442	A434-S438 WeakPolarHBondContact O-CB 3.34Å; A434-S438 PolarHBondContact O-N 3.13Å; A434-S438 PolarHBondContact O-OG 2.98Å; N435-S438 PolarHBondContact O-N 3.3Å; E436-S438 VanDerWaalsContact C-N 3.27Å; E436-S438 PolarHBondContact O-N 3.28Å; S438-Q442 PolarHBondContact O-N 2.77Å
439	R	73.5	Confident	60.3	Low	186 Å²	186	121.8 Å²	121.8	70%	0.702	62%	0.62	S	S	*	*	H	α-helix	trans	-75.3	-40.8	174.7	-74.7	175.1	174.8	171.5	-2.5	112.1	N435 E436 L437 I441 Q442	N435-R439 WeakPolarHBondContact O-CG 3.44Å; N435-R439 PolarHBondContact O-N 2.89Å; E436-R439 WeakPolarHBondContact O-CA 3.43Å; E436-R439 WeakPolarHBondContact O-CB 3.29Å; E436-R439 PolarHBondContact O-N 3.12Å; L437-R439 VanDerWaalsContact C-N 3.26Å; L437-R439 PolarHBondContact O-N 2.69Å; R439-I441 PolarHBondContact O-N 3.45Å; R439-Q442 PolarHBondContact O-N 2.88Å; R439-Q442 VanDerWaalsContact O-N 3.16Å
440	T	69.1	Low	58.5	Low	120 Å²	120	125.5 Å²	125.5	74%	0.736	64%	0.641	S	S	*	*	H	α-helix	trans	-66	-26.4	175.7	-6.5	0	0	0	0	112.6	E436 L437	E436-T440 PolarHBondContact O-N 3.17Å; E436-T440 PolarHBondContact O-OG1 2.79Å; L437-T440 PolarHBondContact O-N 3.46Å
441	I	60.5	Low	56.5	Low	117 Å²	117	126.4 Å²	126.4	60%	0.6	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.1	-5.8	177.5	-62.9	168.2	0	0	0	112.1	L437 R439 P443	L437-I441 HydrophobicContact CD1-CD1 3.89Å; L437-I441 HydrophobicContact CD1-CG1 4.44Å; L437-I441 HydrophobicContact CG-CD1 3.78Å; L437-I441 WeakPolarHBondContact O-CB 3.39Å; L437-I441 WeakPolarHBondContact O-CD1 3.48Å; L437-I441 VanDerWaalsContact O-CG1 3.22Å; L437-I441 WeakPolarHBondContact O-CG1 3.23Å; L437-I441 PolarHBondContact O-N 2.98Å; L437-I441 VanDerWaalsContact O-N 3.08Å; R439-I441 PolarHBondContact O-N 3.45Å; I441-P443 VanDerWaalsContact O-N 3.15Å
442	Q	47.4	Very low	54.6	Low	145 Å²	145	131.3 Å²	131.3	68%	0.678	66%	0.664	S	S	*	*	S	Bend	trans	-59.7	124.5	175.8	-80.4	-172.9	0.3	0	0	110.1	S438 R439 T444	S438-Q442 PolarHBondContact O-N 2.77Å; R439-Q442 PolarHBondContact O-N 2.88Å; R439-Q442 VanDerWaalsContact O-N 3.16Å; Q442-T444 PolarHBondContact O-N 3.38Å
443	P	48	Very low	52.6	Low	104 Å²	104	129.1 Å²	129.1	68%	0.675	67%	0.669	S	S	*	*			trans	-69.7	127.5	-162.4	25.8	-32.7	0	0	0	109.7	I441 N445	I441-P443 VanDerWaalsContact O-N 3.15Å; P443-N445 PolarHBondContact O-N 3.28Å
444	T	42.3	Very low	50.4	Low	132 Å²	132	130.4 Å²	130.4	81%	0.81	68%	0.678	S	S	*	*			trans	-50.1	108.2	153.8	45.9	0	0	0	0	106.8	Q442 N446	Q442-T444 PolarHBondContact O-N 3.38Å; T444-N446 VanDerWaalsContact C-N 3.29Å; T444-N446 PolarHBondContact O-N 3.38Å
445	N	37.5	Very low	48.5	Very low	147 Å²	147	133.8 Å²	133.8	79%	0.786	69%	0.689	S	S	*	*	S	Bend	trans	-55.4	97.3	170.1	-86.6	-23.7	0	0	0	107.3	P443	P443-N445 PolarHBondContact O-N 3.28Å
446	N	34.8	Very low	46.3	Very low	140 Å²	140	133.3 Å²	133.3	75%	0.749	69%	0.693	S	S	*	*	S	Bend	trans	162.5	124.8	144.6	-79.9	-21.5	0	0	0	108.8	T444	T444-N446 VanDerWaalsContact C-N 3.29Å; T444-N446 PolarHBondContact O-N 3.38Å
447	Q	32.8	Very low	44.4	Very low	187 Å²	187	132.8 Å²	132.8	87%	0.874	70%	0.698	S	S	*	*	S	Bend	trans	74	118.4	175.3	-49.2	170.7	-3.8	0	0	112.2
448	T	31.5	Very low	42.4	Very low	122 Å²	122	136.8 Å²	136.8	75%	0.748	71%	0.714	S	S	*	*			cis	-161.7	138.7	32.3	-13.2	0	0	0	0	107.6	L450	T448-L450 PolarHBondContact O-N 3.4Å
449	R	34.9	Very low	40.4	Very low	260 Å²	260	139.6 Å²	139.6	98%	0.981	72%	0.724	S	S	*	*			trans	-75.6	31.8	-173.2	-133.2	-177.4	-167.4	-162.6	4.3	114.3
450	L	31.7	Very low	38.2	Very low	146 Å²	146	139.6 Å²	139.6	76%	0.764	73%	0.729	S	S	*	*			trans	-113	124.6	-175	-88.5	143.9	0	0	0	111.8	T448	T448-L450 PolarHBondContact O-N 3.4Å
451	S	33.1	Very low	36.6	Very low	77 Å²	77	140.3 Å²	140.3	54%	0.538	73%	0.728	S	S	.	*			trans	85.9	58.4	172.1	78.7	0	0	0	0	118.6	T453	S451-T453 PolarHBondContact O-N 3.34Å; S451-T453 VanDerWaalsContact O-N 3.15Å
452	K	34.8	Very low	35.1	Very low	203 Å²	203	143.9 Å²	143.9	88%	0.883	74%	0.739	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.2	5.4	161.1	-89.2	-173.4	176.2	-178.5	0	115
453	T	35.2	Very low	34.1	Very low	118 Å²	118	142.5 Å²	142.5	72%	0.724	74%	0.742	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.7	-20.3	-172.4	18.1	0	0	0	0	116.1	S451	S451-T453 PolarHBondContact O-N 3.34Å; S451-T453 VanDerWaalsContact O-N 3.15Å
454	N	30	Very low	33.5	Very low	128 Å²	128	145.4 Å²	145.4	68%	0.684	75%	0.751	S	S	*	*	S	Bend	trans	-107.1	-3.6	-175	-78.3	-8.7	0	0	0	116.3
455	I	36.1	Very low	32.8	Very low	115 Å²	115	143.5 Å²	143.5	59%	0.59	74%	0.744	S	S	*	*	S	Bend	trans	-96	-26.1	-176.4	-60.1	174.3	0	0	0	112.3	T457 H458	I455-T457 PolarHBondContact O-N 2.85Å; I455-T457 VanDerWaalsContact O-N 3.1Å; I455-H458 PolarHBondContact O-N 3.46Å
456	S	32.7	Very low	32.6	Very low	90 Å²	90	143.3 Å²	143.3	63%	0.629	75%	0.748	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.1	-12.3	-177.8	-61.5	0	0	0	0	114.8
457	T	36.3	Very low	32.2	Very low	106 Å²	106	145.7 Å²	145.7	65%	0.65	75%	0.752	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.9	-29.5	179	47	0	0	0	0	113.5	I455	I455-T457 PolarHBondContact O-N 2.85Å; I455-T457 VanDerWaalsContact O-N 3.1Å
458	H	32.9	Very low	32.1	Very low	172 Å²	172	140.6 Å²	140.6	80%	0.796	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.6	-13.8	-175.2	-89.9	-79.5	0	0	0	114.9	I455	I455-H458 PolarHBondContact O-N 3.46Å
459	L	33.8	Very low	31.8	Very low	116 Å²	116	142.4 Å²	142.4	61%	0.607	74%	0.742	S	S	*	*			trans	-128.8	51	-178.6	-88.9	144	0	0	0	111.7	L461	L459-L461 HydrophobicContact CD2-CD1 4.17Å; L459-L461 PolarHBondContact O-N 2.84Å
460	K	27.4	Very low	31.6	Very low	186 Å²	186	139.7 Å²	139.7	81%	0.809	73%	0.733	S	S	*	*			trans	-75.5	75.2	156.3	-84.8	-175.5	178.7	177.1	0	108.8	K462	K460-K462 VanDerWaalsContact C-N 3.3Å; K460-K462 PolarHBondContact O-N 3.37Å
461	L	35.8	Very low	31.3	Very low	135 Å²	135	143.9 Å²	143.9	71%	0.707	74%	0.739	S	S	*	*			trans	-60.7	101.8	152	-82.3	155.3	0	0	0	105.8	L459 P463	L459-L461 HydrophobicContact CD2-CD1 4.17Å; L459-L461 PolarHBondContact O-N 2.84Å; L461-P463 WeakPolarHBondContact O-CD 3.25Å; L461-P463 VanDerWaalsContact O-N 3.12Å
462	K	27.5	Very low	31	Very low	193 Å²	193	147 Å²	147	84%	0.839	75%	0.748	S	S	*	*			trans	-61.6	114.8	171.5	-152.2	177.7	-171.3	-179.2	0	105.5	K460 L464	K460-K462 VanDerWaalsContact C-N 3.3Å; K460-K462 PolarHBondContact O-N 3.37Å; K462-L464 PolarHBondContact O-N 3.46Å
463	P	28	Very low	30.6	Very low	115 Å²	115	141.6 Å²	141.6	75%	0.747	74%	0.736	S	S	*	*			trans	-58.6	121.6	172.7	23.1	-29.8	0	0	0	106.4	L461 S465	L461-P463 WeakPolarHBondContact O-CD 3.25Å; L461-P463 VanDerWaalsContact O-N 3.12Å; P463-S465 PolarHBondContact O-N 3.47Å
464	L	33.5	Very low	30.2	Very low	165 Å²	165	143.2 Å²	143.2	86%	0.864	74%	0.735	S	S	*	*			trans	-50.9	112.2	169.2	-97.8	143.4	0	0	0	106.4	K462 T466	K462-L464 PolarHBondContact O-N 3.46Å; L464-T466 PolarHBondContact O-N 3.46Å
465	S	29.2	Very low	30.1	Very low	92 Å²	92	144 Å²	144	64%	0.643	74%	0.739	S	S	*	*			trans	-40.1	111.8	167.4	160.8	0	0	0	0	108.3	P463 K467	P463-S465 PolarHBondContact O-N 3.47Å; S465-K467 PolarHBondContact O-N 3.15Å; S465-K467 PolarHBondContact OG-N 2.95Å
466	T	32.6	Very low	29.8	Very low	144 Å²	144	147.6 Å²	147.6	88%	0.883	75%	0.75	S	S	*	*	S	Bend	trans	-69.4	15.4	173.6	45.8	0	0	0	0	112.3	L464	L464-T466 PolarHBondContact O-N 3.46Å
467	K	27	Very low	29.6	Very low	190 Å²	190	150.5 Å²	150.5	83%	0.826	76%	0.757	S	S	*	*			trans	-112.1	67.5	170.7	-73.5	-174.4	177.1	-179.7	0	110.6	S465	S465-K467 PolarHBondContact O-N 3.15Å; S465-K467 PolarHBondContact OG-N 2.95Å
468	S	30.7	Very low	29.3	Very low	79 Å²	79	153 Å²	153	55%	0.552	76%	0.762	S	S	*	*			trans	-135.7	105.6	143.7	-174.5	0	0	0	0	107	Y470	S468-Y470 PolarHBondContact O-N 3Å
469	N	24.6	Very low	29.3	Very low	161 Å²	161	152.2 Å²	152.2	86%	0.861	76%	0.758	S	S	*	*			trans	-60	77.7	172	-76.4	-39.7	0	0	0	109.8	R471	N469-R471 PolarHBondContact O-N 3.2Å
470	Y	31.8	Very low	29.2	Very low	202 Å²	202	149.3 Å²	149.3	79%	0.792	76%	0.756	S	S	*	*			trans	-85.4	76.5	153.8	-81.4	-80.7	0	0	0	106.8	S468 I472	S468-Y470 PolarHBondContact O-N 3Å; Y470-I472 VanDerWaalsContact C-N 3.32Å; Y470-I472 PolarHBondContact O-N 3.32Å
471	R	24.2	Very low	29.8	Very low	234 Å²	234	143.7 Å²	143.7	88%	0.883	74%	0.741	S	S	*	*			trans	-52	106.2	156.5	-121.2	178.4	-175.6	172	0.8	105.2	N469 S473	N469-R471 PolarHBondContact O-N 3.2Å; R471-S473 PolarHBondContact O-N 3.35Å
472	I	26.7	Very low	30.3	Very low	142 Å²	142	143.2 Å²	143.2	73%	0.728	74%	0.743	S	S	*	*			trans	-63.2	93.5	162.8	-62.6	171.3	0	0	0	103.8	Y470 H474	Y470-I472 VanDerWaalsContact C-N 3.32Å; Y470-I472 PolarHBondContact O-N 3.32Å; I472-H474 VanDerWaalsContact C-N 3.32Å; I472-H474 PolarHBondContact O-N 2.75Å
473	S	27.7	Very low	31.1	Very low	90 Å²	90	138.1 Å²	138.1	63%	0.629	73%	0.728	S	S	*	*			trans	-63.1	104.7	164.9	40.4	0	0	0	0	105.7	R471 N475	R471-S473 PolarHBondContact O-N 3.35Å; S473-N475 PolarHBondContact O-N 3.36Å
474	H	26.2	Very low	31.8	Very low	153 Å²	153	136.9 Å²	136.9	71%	0.708	71%	0.713	S	S	*	*	S	Bend	trans	-66.3	20	179.7	-123.3	-86.3	0	0	0	113.6	I472	I472-H474 VanDerWaalsContact C-N 3.32Å; I472-H474 PolarHBondContact O-N 2.75Å
475	N	26.8	Very low	32.9	Very low	145 Å²	145	133.8 Å²	133.8	78%	0.775	70%	0.701	S	S	*	*			trans	-114.1	35.7	-173.9	-74.2	8	0	0	0	113.2	S473	S473-N475 PolarHBondContact O-N 3.36Å
476	F	29.8	Very low	34.2	Very low	189 Å²	189	133.3 Å²	133.3	83%	0.829	69%	0.694	S	S	*	*			trans	-121.4	13.6	174.4	-119.5	-85.4	0	0	0	114.9
477	I	29.8	Very low	35.2	Very low	151 Å²	151	132 Å²	132	77%	0.774	68%	0.681	S	S	*	*	S	Bend	trans	-84.3	-14.2	175.2	-68.3	179	0	0	0	112.5
478	E	30.4	Very low	36.5	Very low	160 Å²	160	130.1 Å²	130.1	75%	0.748	67%	0.669	S	S	*	*			trans	-130.4	100.6	176.7	-69.6	-178.6	169	0	0	110.1
479	H	31.6	Very low	38.1	Very low	154 Å²	154	129.2 Å²	129.2	71%	0.713	67%	0.666	S	S	*	*			trans	-169.8	113	137.6	-84.8	-48.2	0	0	0	108.7
480	G	31.5	Very low	39.8	Very low	55 Å²	55	126.7 Å²	126.7	57%	0.567	65%	0.652	S	S	*	*			trans	-68.8	161	-177.1	0	0	0	0	0	114.5
481	S	40.6	Very low	41.3	Very low	69 Å²	69	118.9 Å²	118.9	48%	0.483	63%	0.629	S	S	.	*			trans	58.5	112	168.1	70.6	0	0	0	0	116.1	T483 Q484	S481-T483 WeakPolarHBondContact CB-OG1 3.35Å; S481-T483 PolarHBondContact O-N 3.1Å; S481-T483 PolarHBondContact OG-OG1 3.44Å; S481-Q484 PolarHBondContact O-N 3.29Å
482	T	46.4	Very low	43.2	Very low	125 Å²	125	112 Å²	112	77%	0.767	61%	0.61	S	S	*	*	H	α-helix	trans	-46.8	-19.9	171.8	20.9	0	0	0	0	114.9	T486	T482-T486 PolarHBondContact O-N 3.11Å; T482-T486 PolarHBondContact O-OG1 3.43Å
483	T	45.2	Very low	45	Very low	85 Å²	85	113 Å²	113	52%	0.521	61%	0.605	S	S	.	*	H	α-helix	trans	-66.4	-37.3	173.5	35.7	0	0	0	0	113.5	S481 T486 L487	S481-T483 WeakPolarHBondContact CB-OG1 3.35Å; S481-T483 PolarHBondContact O-N 3.1Å; S481-T483 PolarHBondContact OG-OG1 3.44Å; T483-T486 WeakPolarHBondContact CA-OG1 3.48Å; T483-T486 PolarHBondContact O-OG1 2.93Å; T483-T486 VanDerWaalsContact O-OG1 3.12Å; T483-L487 WeakPolarHBondContact O-CB 3.47Å; T483-L487 WeakPolarHBondContact O-CG 3.14Å; T483-L487 PolarHBondContact O-N 3.39Å
484	Q	42.5	Very low	46.4	Very low	90 Å²	90	111.8 Å²	111.8	42%	0.421	60%	0.596	S	S	.	*	H	α-helix	trans	-71.4	-34.6	177.8	-77.5	-168.7	-4.4	0	0	112.4	S481 L487 R488	S481-Q484 PolarHBondContact O-N 3.29Å; Q484-L487 PolarHBondContact O-N 3.16Å; Q484-R488 WeakPolarHBondContact O-CG 3.33Å; Q484-R488 PolarHBondContact O-N 3.15Å
485	T	56.1	Low	47.6	Very low	99 Å²	99	112 Å²	112	61%	0.607	59%	0.591	S	S	*	*	H	α-helix	trans	-67.6	-39.2	178.4	-36.7	0	0	0	0	111.4	A489	T485-A489 WeakPolarHBondContact O-CB 3.39Å; T485-A489 PolarHBondContact O-N 2.92Å
486	T	55.7	Low	49.1	Very low	82 Å²	82	112.8 Å²	112.8	50%	0.503	59%	0.587	S	S	.	*	H	α-helix	trans	-69.3	-42.6	175	23.5	0	0	0	0	111.8	T482 T483 R488 A489 L490	T482-T486 PolarHBondContact O-N 3.11Å; T482-T486 PolarHBondContact O-OG1 3.43Å; T483-T486 WeakPolarHBondContact CA-OG1 3.48Å; T483-T486 PolarHBondContact O-OG1 2.93Å; T483-T486 VanDerWaalsContact O-OG1 3.12Å; T486-R488 PolarHBondContact O-N 3.11Å; T486-A489 PolarHBondContact O-N 3.23Å; T486-L490 WeakPolarHBondContact O-CG 3.26Å; T486-L490 PolarHBondContact O-N 3.17Å
487	L	54.2	Low	50.5	Low	116 Å²	116	112 Å²	112	61%	0.607	58%	0.579	S	S	*	*	H	α-helix	trans	-63.3	-39.1	175.8	-76.8	166.9	0	0	0	112.6	T483 Q484 L490 A491	T483-L487 WeakPolarHBondContact O-CB 3.47Å; T483-L487 WeakPolarHBondContact O-CG 3.14Å; T483-L487 PolarHBondContact O-N 3.39Å; Q484-L487 PolarHBondContact O-N 3.16Å; L487-L490 PolarHBondContact O-N 2.76Å; L487-A491 VanDerWaalsContact O-CB 3.28Å; L487-A491 WeakPolarHBondContact O-CB 3.39Å; L487-A491 PolarHBondContact O-N 3.47Å
488	R	53.4	Low	51.6	Low	151 Å²	151	110.3 Å²	110.3	57%	0.57	58%	0.575	S	S	*	*	H	α-helix	trans	-68.1	-37	173.9	-74.6	-176.3	-169.9	174.3	6.3	112.6	Q484 T486 A491 N492	Q484-R488 WeakPolarHBondContact O-CG 3.33Å; Q484-R488 PolarHBondContact O-N 3.15Å; T486-R488 PolarHBondContact O-N 3.11Å; R488-A491 PolarHBondContact O-N 3.23Å; R488-N492 VanDerWaalsContact O-CB 3.3Å; R488-N492 WeakPolarHBondContact O-CB 3.22Å; R488-N492 PolarHBondContact O-N 3.2Å
489	A	65.4	Low	52.4	Low	61 Å²	61	113.6 Å²	113.6	50%	0.504	58%	0.581	S	S	.	*	H	α-helix	trans	-64.1	-43.5	175.3	0	0	0	0	0	111.4	T485 T486 N492 W493	T485-A489 WeakPolarHBondContact O-CB 3.39Å; T485-A489 PolarHBondContact O-N 2.92Å; T486-A489 PolarHBondContact O-N 3.23Å; A489-N492 PolarHBondContact O-N 3.06Å; A489-W493 WeakPolarHBondContact O-CB 3.42Å; A489-W493 PolarHBondContact O-N 3.12Å
490	L	59.4	Low	53.1	Low	108 Å²	108	116.1 Å²	116.1	57%	0.565	60%	0.599	S	S	*	*	H	α-helix	trans	-66.2	-42.6	175.1	-73.3	167.3	0	0	0	112.1	T486 L487 N492 W493 S494	T486-L490 WeakPolarHBondContact O-CG 3.26Å; T486-L490 PolarHBondContact O-N 3.17Å; L487-L490 PolarHBondContact O-N 2.76Å; L490-N492 PolarHBondContact O-N 3.44Å; L490-W493 PolarHBondContact O-N 2.99Å; L490-S494 PolarHBondContact O-N 2.95Å
491	A	63.5	Low	54.2	Low	37 Å²	37	119.2 Å²	119.2	31%	0.306	60%	0.6	S	S	.	*	H	α-helix	trans	-63	-42.5	176.3	0	0	0	0	0	111.9	L487 R488 S494 R495	L487-A491 VanDerWaalsContact O-CB 3.28Å; L487-A491 WeakPolarHBondContact O-CB 3.39Å; L487-A491 PolarHBondContact O-N 3.47Å; R488-A491 PolarHBondContact O-N 3.23Å; A491-S494 PolarHBondContact O-N 2.8Å; A491-S494 PolarHBondContact O-OG 2.92Å; A491-R495 PolarHBondContact O-N 3.21Å
492	N	64.7	Low	54.9	Low	90 Å²	90	121.8 Å²	121.8	48%	0.481	61%	0.606	S	S	.	*	H	α-helix	trans	-68.6	-34.3	175.9	-80.4	-16.3	0	0	0	112.7	R488 A489 L490 K496	R488-N492 VanDerWaalsContact O-CB 3.3Å; R488-N492 WeakPolarHBondContact O-CB 3.22Å; R488-N492 PolarHBondContact O-N 3.2Å; A489-N492 PolarHBondContact O-N 3.06Å; L490-N492 PolarHBondContact O-N 3.44Å; N492-K496 PolarHBondContact O-N 2.86Å; N492-K496 VanDerWaalsContact O-N 3.15Å
493	W	64.5	Low	55.3	Low	163 Å²	163	121.6 Å²	121.6	62%	0.617	60%	0.597	S	S	*	*	H	α-helix	trans	-65.6	-43.9	173.2	-174.1	80.8	0	0	0	111.3	A489 L490 R495 K496 R497	A489-W493 WeakPolarHBondContact O-CB 3.42Å; A489-W493 PolarHBondContact O-N 3.12Å; L490-W493 PolarHBondContact O-N 2.99Å; W493-R495 PolarHBondContact O-N 2.86Å; W493-K496 PolarHBondContact O-N 3.06Å; W493-R497 PolarHBondContact O-N 2.69Å
494	S	55.9	Low	55.9	Low	64 Å²	64	123.8 Å²	123.8	45%	0.448	60%	0.602	S	S	.	*	H	α-helix	trans	-63	-41.9	175.6	82.6	0	0	0	0	112.4	L490 A491 K496 R497 T498	L490-S494 PolarHBondContact O-N 2.95Å; A491-S494 PolarHBondContact O-N 2.8Å; A491-S494 PolarHBondContact O-OG 2.92Å; S494-K496 VanDerWaalsContact C-N 3.31Å; S494-K496 PolarHBondContact O-N 3.36Å; S494-R497 PolarHBondContact O-N 2.94Å; S494-R497 VanDerWaalsContact O-N 3.11Å; S494-T498 PolarHBondContact O-N 3.35Å; S494-T498 PolarHBondContact O-OG1 3.08Å
495	R	51.2	Low	56.8	Low	158 Å²	158	125.9 Å²	125.9	60%	0.596	61%	0.613	S	S	*	*	H	α-helix	trans	-65.5	-31	179.5	-121	-175.7	-74.4	169.7	-6.4	113.4	A491 W493 T498	A491-R495 PolarHBondContact O-N 3.21Å; W493-R495 PolarHBondContact O-N 2.86Å; R495-T498 PolarHBondContact O-OG1 2.97Å; R495-T498 VanDerWaalsContact O-OG1 3.12Å
496	K	59.9	Low	56.8	Low	162 Å²	162	127.7 Å²	127.7	70%	0.704	61%	0.614	S	S	*	*	H	α-helix	trans	-72.5	-33.1	173.9	-96.3	-175.5	174.4	-176.5	0	112.1	N492 W493 S494 R499	N492-K496 PolarHBondContact O-N 2.86Å; N492-K496 VanDerWaalsContact O-N 3.15Å; W493-K496 PolarHBondContact O-N 3.06Å; S494-K496 VanDerWaalsContact C-N 3.31Å; S494-K496 PolarHBondContact O-N 3.36Å; K496-R499 PolarHBondContact O-N 3.04Å
497	R	58.5	Low	56.9	Low	172 Å²	172	130.9 Å²	130.9	65%	0.649	62%	0.622	S	S	*	*	H	α-helix	trans	-76	-25.7	-179.5	-151.7	-179.7	-170.3	-172.2	2.5	113.1	W493 S494 R499 L500	W493-R497 PolarHBondContact O-N 2.69Å; S494-R497 PolarHBondContact O-N 2.94Å; S494-R497 VanDerWaalsContact O-N 3.11Å; R497-R499 VanDerWaalsContact C-N 3.31Å; R497-L500 VanDerWaalsContact O-OXT 3.12Å
498	T	52.2	Low	57.1	Low	115 Å²	115	132.1 Å²	132.1	71%	0.706	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.2	-1.1	174.2	47.3	0	0	0	0	114.3	S494 R495	S494-T498 PolarHBondContact O-N 3.35Å; S494-T498 PolarHBondContact O-OG1 3.08Å; R495-T498 PolarHBondContact O-OG1 2.97Å; R495-T498 VanDerWaalsContact O-OG1 3.12Å
499	R	48.6	Very low	57.4	Low	229 Å²	229	130.5 Å²	130.5	86%	0.864	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.5	-3.1	175.4	-77.4	-170.8	179	-172.9	-0.9	113.5	K496 R497	K496-R499 PolarHBondContact O-N 3.04Å; R497-R499 VanDerWaalsContact C-N 3.31Å
500	L	45.1	Very low	56.7	Low	207 Å²	207	136.8 Å²	136.8	100%	1.084	64%	0.638	S	S	*	*			trans	-102.3	0	164.7	-73	166.6	0	0	0	106.9	R497	R497-L500 VanDerWaalsContact O-OXT 3.12Å

Retrieved 500 of 500 residues in 98.8 ms (Link to these results)

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