A0A087YR92_POEFO Loading...

Potassium voltage-gated channel modifier subfamily F member 1

AlphaFold DB , UniProt , Accession A0A087YR92, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 439 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	29.9	Very low	40.1	Very low	236 Å²	236	154.5 Å²	154.5	100%	1.163	74%	0.742	S	S	*	*				0	90.6	0	-161	177	-96	0	0	105.6
2	W	39.8	Very low	40	Very low	224 Å²	224	148.4 Å²	148.4	85%	0.848	74%	0.737	S	S	*	*			trans	-85.1	114.8	-169.9	-68.8	90.4	0	0	0	108.4	V4	W2-V4 PolarHBondContact O-N 3.34Å
3	A	35.6	Very low	39.9	Very low	97 Å²	97	150.8 Å²	150.8	80%	0.802	75%	0.752	S	S	*	*			trans	-86.2	108.3	174.6	0	0	0	0	0	108.1
4	V	51.3	Low	39.9	Very low	50 Å²	50	143.1 Å²	143.1	30%	0.303	72%	0.72	S	S	.	*	P	Polyproline II helix	trans	-53.1	133.4	163.4	180	0	0	0	0	107.7	W2 K6 V28 Y88	W2-V4 PolarHBondContact O-N 3.34Å; V4-K6 PolarHBondContact O-N 3.48Å; V4-K6 VanDerWaalsContact O-N 3.1Å; V4-V28 HydrophobicContact CG2-CG1 4.42Å; V4-Y88 HydrophobicContact CG1-CE1 4.48Å; V4-Y88 HydrophobicContact CG1-CE2 4.15Å; V4-Y88 VanDerWaalsContact CG1-OH 3.25Å; V4-Y88 WeakPolarHBondContact CG1-OH 3.02Å
5	P	42.4	Very low	40.6	Very low	92 Å²	92	145.7 Å²	145.7	60%	0.597	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-57.3	119.5	177.8	-18.5	29.4	0	0	0	109.2	P7	P5-P7 WeakPolarHBondContact O-CD 3.32Å
6	K	42.2	Very low	41.6	Very low	186 Å²	186	146.9 Å²	146.9	81%	0.809	73%	0.731	S	S	*	*	P	Polyproline II helix	trans	-65.9	122.9	175.3	-75.6	-174.6	176.4	-179.4	0	108.5	V4	V4-K6 PolarHBondContact O-N 3.48Å; V4-K6 VanDerWaalsContact O-N 3.1Å
7	P	40.5	Very low	43.1	Very low	58 Å²	58	140 Å²	140	38%	0.377	71%	0.707	S	S	.	*	P	Polyproline II helix	trans	-60.2	142.7	175.2	21.5	-29.3	0	0	0	110.3	P5 Y9	P5-P7 WeakPolarHBondContact O-CD 3.32Å; P7-Y9 PolarHBondContact O-N 3.36Å
8	K	40	Very low	45.3	Very low	213 Å²	213	135.4 Å²	135.4	93%	0.926	68%	0.684	S	S	*	*	S	Bend	trans	-66.7	-1.8	-175.8	-91.4	-179.7	175.6	175.4	0	114.8
9	Y	39.5	Very low	47.5	Very low	220 Å²	220	128.7 Å²	128.7	86%	0.863	65%	0.651	S	S	*	*			trans	-117.9	105	175.3	-79.9	-89.4	0	0	0	108.7	P7	P7-Y9 PolarHBondContact O-N 3.36Å
10	R	44.3	Very low	49.7	Very low	160 Å²	160	123.1 Å²	123.1	60%	0.604	62%	0.623	S	S	*	*			trans	-139.3	109.8	164.3	-146.3	178.7	170.8	172.8	-3.2	110.8
11	N	35.2	Very low	51.7	Low	163 Å²	163	117.2 Å²	117.2	87%	0.872	59%	0.593	S	S	*	*			trans	-82.6	124.7	145.7	-81.8	-20.6	0	0	0	106.5	L13	N11-L13 PolarHBondContact O-N 2.78Å
12	A	39.8	Very low	54.8	Low	82 Å²	82	107 Å²	107	68%	0.678	54%	0.544	S	S	*	.	S	Bend	trans	-67.4	116.8	173.1	0	0	0	0	0	108.6
13	L	38.1	Very low	57.4	Low	179 Å²	179	96.4 Å²	96.4	94%	0.937	50%	0.503	S	S	*	.			trans	162.8	79	156.8	-87.7	152.3	0	0	0	109.9	N11	N11-L13 PolarHBondContact O-N 2.78Å
14	S	40.2	Very low	60.1	Low	44 Å²	44	93.6 Å²	93.6	31%	0.308	48%	0.483	S	S	.	.			trans	-174.4	117	147.9	-166.7	0	0	0	0	108.7	E16	S14-E16 PolarHBondContact OG-N 3.19Å
15	E	50.5	Low	61.9	Low	181 Å²	181	93.9 Å²	93.9	85%	0.846	50%	0.497	S	S	*	.			trans	-100.4	6.1	168.6	-72.6	-176.2	154.2	0	0	110.9	G17	E15-G17 PolarHBondContact O-N 3.28Å
16	E	56.4	Low	64.3	Low	165 Å²	165	92 Å²	92	77%	0.771	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	107.9	-179.1	-71.1	-177.4	165.3	0	0	110.5	S14	S14-E16 PolarHBondContact OG-N 3.19Å
17	G	66.6	Low	66.7	Low	30 Å²	30	89.4 Å²	89.4	31%	0.309	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	114.2	6.3	167.2	0	0	0	0	0	116.9	E15 G32 S47	E15-G17 PolarHBondContact O-N 3.28Å; G17-G32 WeakPolarHBondContact O-CA 3.19Å; G17-S47 PolarHBondContact O-OG 3.03Å
18	D	83	Confident	69.1	Low	57 Å²	57	87.9 Å²	87.9	31%	0.305	46%	0.458	S	S	.	.			trans	-67.6	131.9	176.4	-71.5	-0.5	0	0	0	111.4	L30 F31 G32	D18-L30 WeakPolarHBondContact CA-O 3.46Å; D18-F31 WeakPolarHBondContact OD1-CA 3.37Å; D18-F31 WeakPolarHBondContact OD2-CD1 3.39Å; D18-G32 PolarHBondContact OD1-N 3.44Å
19	I	87.7	Confident	71.5	Confident	9 Å²	9	80.4 Å²	80.4	5%	0.046	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	144.8	178.3	62.8	171.9	0	0	0	111.1	V21 L30 L35 L46 F71	I19-V21 HydrophobicContact CD1-CG1 4.18Å; I19-L30 HydrophobicContact CG1-CB 4.11Å; I19-L30 PolarHBondContact N-O 3.02Å; I19-L30 PolarHBondContact O-N 3.29Å; I19-L35 HydrophobicContact CD1-CD1 3.65Å; I19-L35 HydrophobicContact CG1-CD1 3.87Å; I19-L46 HydrophobicContact CD1-CB 4.38Å; I19-F71 HydrophobicContact CB-CD2 4.44Å; I19-F71 HydrophobicContact CB-CE2 4.21Å; I19-F71 HydrophobicContact CG2-CE2 4.14Å
20	T	90.8	Very high	73.8	Confident	15 Å²	15	70.1 Å²	70.1	9%	0.092	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	126	169.3	-57.9	0	0	0	0	109.1	R27 E70 F71	T20-R27 HydrophobicContact CG2-CG 3.56Å; T20-R27 VanDerWaalsContact CG2-NH2 3.28Å; T20-R27 PolarHBondContact OG1-NH2 3.31Å; T20-E70 HydrophobicContact CG2-CB 4.27Å; T20-E70 HydrophobicContact CG2-CG 4.02Å; T20-E70 WeakPolarHBondContact O-CA 3.39Å; T20-F71 WeakPolarHBondContact O-CD2 3.34Å; T20-F71 PolarHBondContact O-N 3.05Å
21	V	92.6	Very high	75.9	Confident	0 Å²	0	65.2 Å²	65.2	0%	0	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	142	173.6	-62	0	0	0	0	110.7	I19 I23 R27 V28 L30 L43 F71 F73 F80	I19-V21 HydrophobicContact CD1-CG1 4.18Å; V21-I23 HydrophobicContact CB-CD1 4.29Å; V21-I23 HydrophobicContact CG2-CD1 4.42Å; V21-R27 CarbonylContact O-C 3.49Å; V21-R27 WeakPolarHBondContact O-CA 3.49Å; V21-V28 HydrophobicContact CG2-CB 4.04Å; V21-V28 PolarHBondContact N-O 3.21Å; V21-V28 PolarHBondContact O-N 3.32Å; V21-L30 HydrophobicContact CG1-CD1 4.43Å; V21-L30 HydrophobicContact CG2-CD1 3.85Å; V21-L30 HydrophobicContact CG2-CG 4.31Å; V21-L43 HydrophobicContact CG1-CD2 3.99Å; V21-F71 CarbonylContact C-O 3.58Å; V21-F71 WeakPolarHBondContact CA-O 3.42Å; V21-F71 HydrophobicContact CG1-CB 4.4Å; V21-F73 HydrophobicContact CB-CE2 4.28Å; V21-F73 HydrophobicContact CG1-CE2 4.08Å; V21-F80 HydrophobicContact CG2-CE1 3.92Å; V21-F80 HydrophobicContact CG2-CZ 3.89Å
22	N	93.8	Very high	78.2	Confident	23 Å²	23	57.5 Å²	57.5	12%	0.123	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	107.5	178	-177.2	-12.6	0	0	0	108.9	G25 V26 E70 F71 Y72 F73	N22-G25 WeakPolarHBondContact OD1-CA 3.46Å; N22-G25 PolarHBondContact OD1-N 3.17Å; N22-V26 WeakPolarHBondContact CA-O 3.22Å; N22-V26 PolarHBondContact OD1-N 3.35Å; N22-E70 HydrophobicContact CB-CG 3.74Å; N22-E70 PolarHBondContact ND2-OE2 3.18Å; N22-F71 PolarHBondContact N-O 3.1Å; N22-Y72 HydrophobicContact CB-CD2 4.16Å; N22-Y72 CarbonylContact O-C 3.59Å; N22-Y72 WeakPolarHBondContact O-CA 3.37Å; N22-F73 PolarHBondContact O-N 3.39Å
23	I	95.1	Very high	80.4	Confident	1 Å²	1	57.9 Å²	57.9	1%	0.005	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	108.4	-176	-47.9	-56.1	0	0	0	108.8	V21 G25 V26 F73 R75 P77 F80 W110	V21-I23 HydrophobicContact CB-CD1 4.29Å; V21-I23 HydrophobicContact CG2-CD1 4.42Å; I23-G25 PolarHBondContact O-N 3.29Å; I23-G25 VanDerWaalsContact O-N 3.09Å; I23-V26 PolarHBondContact N-O 3.43Å; I23-V26 WeakPolarHBondContact O-CB 3.4Å; I23-V26 PolarHBondContact O-N 3.33Å; I23-F73 HydrophobicContact CD1-CB 3.66Å; I23-F73 HydrophobicContact CD1-CD2 3.4Å; I23-F73 HydrophobicContact CD1-CE2 4.25Å; I23-F73 HydrophobicContact CD1-CG 3.76Å; I23-R75 HydrophobicContact CG2-CB 4.21Å; I23-R75 WeakPolarHBondContact CG2-O 3.39Å; I23-P77 HydrophobicContact CG2-CB 4.36Å; I23-F80 HydrophobicContact CB-CD1 4.34Å; I23-F80 HydrophobicContact CB-CG 4.48Å; I23-F80 HydrophobicContact CD1-CD1 4.31Å; I23-F80 HydrophobicContact CD1-CD2 4.32Å; I23-F80 HydrophobicContact CD1-CE1 4.16Å; I23-F80 HydrophobicContact CD1-CE2 4.23Å; I23-F80 HydrophobicContact CD1-CG 4.35Å; I23-F80 HydrophobicContact CD1-CZ 4.15Å; I23-F80 HydrophobicContact CG1-CB 4.3Å; I23-F80 HydrophobicContact CG1-CD1 3.44Å; I23-F80 VanDerWaalsContact CG1-CD1 3.44Å; I23-F80 HydrophobicContact CG1-CD2 4.2Å; I23-F80 HydrophobicContact CG1-CE1 3.6Å; I23-F80 HydrophobicContact CG1-CE2 4.37Å; I23-F80 HydrophobicContact CG1-CG 3.73Å; I23-F80 HydrophobicContact CG1-CZ 4.1Å; I23-F80 HydrophobicContact CG2-CB 4.01Å; I23-F80 HydrophobicContact CG2-CG 4.33Å; I23-W110 HydrophobicContact CD1-CH2 3.74Å; I23-W110 HydrophobicContact CD1-CZ2 4.03Å
24	G	91.4	Very high	82.7	Confident	37 Å²	37	51 Å²	51	38%	0.381	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.2	31.2	178.8	0	0	0	0	0	113.6	F73	G24-F73 PolarHBondContact N-O 3.46Å
25	G	89.9	Confident	85	Confident	57 Å²	57	49 Å²	49	59%	0.588	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.6	-3.7	-176.6	0	0	0	0	0	115.3	N22 I23	N22-G25 WeakPolarHBondContact OD1-CA 3.46Å; N22-G25 PolarHBondContact OD1-N 3.17Å; I23-G25 PolarHBondContact O-N 3.29Å; I23-G25 VanDerWaalsContact O-N 3.09Å
26	V	93.3	Very high	86.7	Confident	52 Å²	52	46.3 Å²	46.3	32%	0.315	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	111.7	177.2	-176.1	0	0	0	0	110.5	N22 I23 V28 P77	N22-V26 WeakPolarHBondContact CA-O 3.22Å; N22-V26 PolarHBondContact OD1-N 3.35Å; I23-V26 PolarHBondContact N-O 3.43Å; I23-V26 WeakPolarHBondContact O-CB 3.4Å; I23-V26 PolarHBondContact O-N 3.33Å; V26-V28 HydrophobicContact CG1-CG2 4.43Å; V26-P77 HydrophobicContact CB-CB 4Å; V26-P77 HydrophobicContact CG2-CB 3.67Å; V26-P77 HydrophobicContact CG2-CG 3.96Å
27	R	91.9	Very high	88.2	Confident	132 Å²	132	44.1 Å²	44.1	50%	0.498	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	127.5	178.2	-167.2	179	-162.3	-101.1	-2.6	112.2	T20 V21 E70	T20-R27 HydrophobicContact CG2-CG 3.56Å; T20-R27 VanDerWaalsContact CG2-NH2 3.28Å; T20-R27 PolarHBondContact OG1-NH2 3.31Å; V21-R27 CarbonylContact O-C 3.49Å; V21-R27 WeakPolarHBondContact O-CA 3.49Å; R27-E70 WeakPolarHBondContact CD-OE1 3.25Å; R27-E70 WeakPolarHBondContact CG-OE1 3.4Å; R27-E70 IonicContact CZ-OE1 3.9Å; R27-E70 IonicContact NE-OE1 2.81Å; R27-E70 PolarHBondContact NE-OE1 3.15Å
28	V	90.8	Very high	89.4	Confident	26 Å²	26	44.8 Å²	44.8	16%	0.158	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	135.6	176.1	-173.4	0	0	0	0	109.3	V4 V21 V26 L30 F80 I84	V4-V28 HydrophobicContact CG2-CG1 4.42Å; V21-V28 HydrophobicContact CG2-CB 4.04Å; V21-V28 PolarHBondContact N-O 3.21Å; V21-V28 PolarHBondContact O-N 3.32Å; V26-V28 HydrophobicContact CG1-CG2 4.43Å; V28-L30 HydrophobicContact CG1-CD2 3.91Å; V28-L30 HydrophobicContact CG1-CG 4.33Å; V28-F80 HydrophobicContact CG2-CE1 4.44Å; V28-I84 HydrophobicContact CG1-CD1 4.06Å
29	V	90.4	Very high	89.6	Confident	55 Å²	55	45.9 Å²	45.9	33%	0.333	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	128	173.7	-179.7	0	0	0	0	108
30	L	89.1	Confident	89.7	Confident	4 Å²	4	53 Å²	53	2%	0.021	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	136.5	-178.2	-60.6	174.4	0	0	0	109.4	D18 I19 V21 V28 L35 L43 F80 I84	D18-L30 WeakPolarHBondContact CA-O 3.46Å; I19-L30 HydrophobicContact CG1-CB 4.11Å; I19-L30 PolarHBondContact N-O 3.02Å; I19-L30 PolarHBondContact O-N 3.29Å; V21-L30 HydrophobicContact CG1-CD1 4.43Å; V21-L30 HydrophobicContact CG2-CD1 3.85Å; V21-L30 HydrophobicContact CG2-CG 4.31Å; V28-L30 HydrophobicContact CG1-CD2 3.91Å; V28-L30 HydrophobicContact CG1-CG 4.33Å; L30-L35 HydrophobicContact CB-CD1 4.3Å; L30-L35 HydrophobicContact CD1-CD2 4.38Å; L30-L43 HydrophobicContact CD1-CD1 3.84Å; L30-L43 HydrophobicContact CD1-CD2 4.12Å; L30-L43 HydrophobicContact CD1-CG 4.48Å; L30-F80 HydrophobicContact CD1-CZ 4.32Å; L30-I84 HydrophobicContact CD2-CD1 4.4Å; L30-I84 HydrophobicContact CD2-CG1 4.37Å; L30-I84 HydrophobicContact CD2-CG2 4.44Å
31	F	87.6	Confident	89.8	Confident	58 Å²	58	52.4 Å²	52.4	25%	0.254	28%	0.276	S	S	.	.			trans	-87.8	135	-178.5	-57.9	-74	0	0	0	110.5	D18 D33 D34 L35	D18-F31 WeakPolarHBondContact OD1-CA 3.37Å; D18-F31 WeakPolarHBondContact OD2-CD1 3.39Å; F31-D33 PolarHBondContact O-N 2.85Å; F31-D34 PolarHBondContact O-N 3.27Å; F31-D34 VanDerWaalsContact O-N 3.15Å; F31-L35 PolarHBondContact O-N 3.19Å
32	G	83.4	Confident	89.8	Confident	1 Å²	1	54.2 Å²	54.2	1%	0.01	28%	0.283	C	S	.	.	H	α-helix	trans	-58.7	-32.5	-177.2	0	0	0	0	0	113.4	G17 D18 L35 K36	G17-G32 WeakPolarHBondContact O-CA 3.19Å; D18-G32 PolarHBondContact OD1-N 3.44Å; G32-L35 PolarHBondContact O-N 3.06Å; G32-K36 WeakPolarHBondContact O-CG 3.25Å; G32-K36 PolarHBondContact O-N 3.34Å
33	D	85.8	Confident	89.7	Confident	89 Å²	89	53.1 Å²	53.1	48%	0.476	28%	0.277	S	S	.	.	H	α-helix	trans	-66.5	-36.6	178.8	-70.3	-27.6	0	0	0	113.4	F31 L35 K36	F31-D33 PolarHBondContact O-N 2.85Å; D33-L35 VanDerWaalsContact C-N 3.34Å; D33-K36 IonicContact OD1-NZ 2.78Å; D33-K36 PolarHBondContact OD1-NZ 3.01Å
34	D	86.5	Confident	89.4	Confident	35 Å²	35	53.2 Å²	53.2	19%	0.187	28%	0.278	C	S	.	.	H	α-helix	trans	-69.8	-36.6	176.8	-63.2	-40.3	0	0	0	110.4	F31 K36 R37 Y87 Y88	F31-D34 PolarHBondContact O-N 3.27Å; F31-D34 VanDerWaalsContact O-N 3.15Å; D34-K36 VanDerWaalsContact C-N 3.33Å; D34-K36 PolarHBondContact O-N 2.98Å; D34-R37 WeakPolarHBondContact O-CB 3.28Å; D34-R37 PolarHBondContact O-N 3.1Å; D34-Y87 WeakPolarHBondContact O-CD1 3.19Å; D34-Y88 HydrophobicContact CB-CE1 4.44Å; D34-Y88 WeakPolarHBondContact OD2-CE1 3.45Å
35	L	88.3	Confident	89.3	Confident	3 Å²	3	54.4 Å²	54.4	2%	0.016	27%	0.274	C	S	.	.	H	α-helix	trans	-68	-29.9	179.8	-62.5	178.2	0	0	0	113.1	I19 L30 F31 G32 D33 R37 Y38 L43 A44 Y87	I19-L35 HydrophobicContact CD1-CD1 3.65Å; I19-L35 HydrophobicContact CG1-CD1 3.87Å; L30-L35 HydrophobicContact CB-CD1 4.3Å; L30-L35 HydrophobicContact CD1-CD2 4.38Å; F31-L35 PolarHBondContact O-N 3.19Å; G32-L35 PolarHBondContact O-N 3.06Å; D33-L35 VanDerWaalsContact C-N 3.34Å; L35-R37 PolarHBondContact O-N 2.91Å; L35-R37 VanDerWaalsContact O-N 3.1Å; L35-Y38 CarbonylContact O-C 3.45Å; L35-Y38 PolarHBondContact O-N 3.4Å; L35-Y38 VanDerWaalsContact O-N 3.12Å; L35-L43 HydrophobicContact CD2-CB 3.76Å; L35-L43 HydrophobicContact CD2-CD1 4.39Å; L35-A44 HydrophobicContact CB-CB 4.34Å; L35-Y87 HydrophobicContact CD2-CD1 3.85Å; L35-Y87 HydrophobicContact CD2-CE1 3.63Å; L35-Y87 HydrophobicContact CD2-CE2 4.45Å; L35-Y87 HydrophobicContact CD2-CG 4.32Å
36	K	87.1	Confident	89.1	Confident	124 Å²	124	51.7 Å²	51.7	54%	0.539	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-20	176.6	-72.7	168.9	-166.6	161.7	0	113.6	G32 D33 D34 Y38	G32-K36 WeakPolarHBondContact O-CG 3.25Å; G32-K36 PolarHBondContact O-N 3.34Å; D33-K36 IonicContact OD1-NZ 2.78Å; D33-K36 PolarHBondContact OD1-NZ 3.01Å; D34-K36 VanDerWaalsContact C-N 3.33Å; D34-K36 PolarHBondContact O-N 2.98Å; K36-Y38 PolarHBondContact O-N 2.74Å
37	R	87.6	Confident	88.8	Confident	118 Å²	118	50.3 Å²	50.3	45%	0.445	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-30.4	176.8	-167.3	177.1	-176.5	161.9	5.3	112.5	D34 L35 Y87 Y88 D90	D34-R37 WeakPolarHBondContact O-CB 3.28Å; D34-R37 PolarHBondContact O-N 3.1Å; L35-R37 PolarHBondContact O-N 2.91Å; L35-R37 VanDerWaalsContact O-N 3.1Å; R37-Y87 WeakPolarHBondContact CD-O 3.39Å; R37-Y87 PolarHBondContact NH1-O 3.28Å; R37-Y88 PolarHBondContact NH1-O 3.34Å; R37-D90 IonicContact CZ-OD1 3.56Å; R37-D90 IonicContact CZ-OD2 3.74Å; R37-D90 IonicContact NE-OD1 3.44Å; R37-D90 PolarHBondContact NE-OD1 3.23Å; R37-D90 VanDerWaalsContact NE-OD1 3.08Å; R37-D90 IonicContact NE-OD2 2.77Å; R37-D90 VanDerWaalsContact NH2-CB 3.27Å; R37-D90 IonicContact NH2-OD1 2.8Å; R37-D90 PolarHBondContact NH2-OD1 3.49Å; R37-D90 IonicContact NH2-OD2 3.36Å; R37-D90 PolarHBondContact NH2-OD2 3.11Å
38	Y	90.4	Very high	88.2	Confident	44 Å²	44	49.6 Å²	49.6	17%	0.173	25%	0.245	C	C	.	.	S	Bend	trans	-127.3	75.2	178.6	-73.4	-90.8	0	0	0	110	L35 K36 E40 S41 A44 V86 Y87 D90 V116	L35-Y38 CarbonylContact O-C 3.45Å; L35-Y38 PolarHBondContact O-N 3.4Å; L35-Y38 VanDerWaalsContact O-N 3.12Å; K36-Y38 PolarHBondContact O-N 2.74Å; Y38-E40 VanDerWaalsContact C-N 3.26Å; Y38-E40 PolarHBondContact O-N 3.31Å; Y38-S41 VanDerWaalsContact O-CB 3.27Å; Y38-S41 WeakPolarHBondContact O-CB 3.45Å; Y38-S41 PolarHBondContact O-N 3.15Å; Y38-S41 PolarHBondContact O-OG 2.91Å; Y38-A44 WeakPolarHBondContact O-CB 3.46Å; Y38-V86 HydrophobicContact CD2-CG1 4.25Å; Y38-V86 HydrophobicContact CD2-CG2 4.48Å; Y38-V86 HydrophobicContact CE1-CG2 4.04Å; Y38-V86 HydrophobicContact CE2-CB 4.48Å; Y38-V86 HydrophobicContact CE2-CG1 4.29Å; Y38-V86 HydrophobicContact CE2-CG2 3.78Å; Y38-V86 WeakPolarHBondContact CE2-O 3.4Å; Y38-Y87 HydrophobicContact CD2-CD1 4.11Å; Y38-Y87 HydrophobicContact CD2-CE1 4.39Å; Y38-Y87 HydrophobicContact CG-CE1 4.46Å; Y38-D90 WeakPolarHBondContact CE2-OD1 3.49Å; Y38-D90 VanDerWaalsContact CZ-OD1 3.31Å; Y38-D90 PolarHBondContact OH-OD1 2.91Å; Y38-V116 HydrophobicContact CE1-CG1 4.02Å
39	P	88.9	Confident	87.4	Confident	80 Å²	80	49.5 Å²	49.5	52%	0.519	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-23.4	-169.6	27.8	-35.4	0	0	0	114	S41	P39-S41 VanDerWaalsContact C-N 3.28Å
40	E	89.6	Confident	86	Confident	160 Å²	160	50.2 Å²	50.2	75%	0.748	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-1.8	177.1	-58.2	-165.2	171.2	0	0	113.2	Y38 K111	Y38-E40 VanDerWaalsContact C-N 3.26Å; Y38-E40 PolarHBondContact O-N 3.31Å; E40-K111 WeakPolarHBondContact O-CB 3.27Å
41	S	92.8	Very high	84.5	Confident	2 Å²	2	53.3 Å²	53.3	1%	0.014	28%	0.278	C	S	.	.	S	Bend	trans	-73.9	153.6	178.6	84.3	0	0	0	0	111.4	Y38 P39 L43 A44 E45 Y87	Y38-S41 VanDerWaalsContact O-CB 3.27Å; Y38-S41 WeakPolarHBondContact O-CB 3.45Å; Y38-S41 PolarHBondContact O-N 3.15Å; Y38-S41 PolarHBondContact O-OG 2.91Å; P39-S41 VanDerWaalsContact C-N 3.28Å; S41-L43 PolarHBondContact O-N 2.86Å; S41-A44 PolarHBondContact O-N 2.81Å; S41-A44 WeakPolarHBondContact OG-CB 3.39Å; S41-A44 PolarHBondContact OG-N 3.39Å; S41-A44 VanDerWaalsContact OG-N 3.1Å; S41-E45 WeakPolarHBondContact O-CG 3.34Å; S41-E45 PolarHBondContact O-N 2.96Å; S41-Y87 WeakPolarHBondContact CB-OH 3.38Å; S41-Y87 PolarHBondContact OG-OH 3.31Å
42	R	92.4	Very high	83.2	Confident	38 Å²	38	58 Å²	58	14%	0.143	30%	0.301	C	S	.	.	H	α-helix	trans	-58.1	-35.8	176.9	-176.9	-177.7	-68.1	-127.5	5	112.3	L46 L60 F109 W110 K111	R42-L46 HydrophobicContact CG-CD1 4.25Å; R42-L46 WeakPolarHBondContact O-CD1 3.45Å; R42-L46 WeakPolarHBondContact O-CG 3.18Å; R42-L46 PolarHBondContact O-N 3.35Å; R42-L60 WeakPolarHBondContact CD-O 3.36Å; R42-L60 HydrophobicContact CG-CD2 4.25Å; R42-L60 PolarHBondContact NH1-O 3.48Å; R42-F109 VanDerWaalsContact CZ-CE2 3.46Å; R42-F109 VanDerWaalsContact CZ-CZ 3.49Å; R42-F109 PolarHBondContact NE-O 2.8Å; R42-F109 PolarHBondContact NH2-O 3.46Å; R42-W110 HydrophobicContact CB-CE3 4.27Å; R42-W110 HydrophobicContact CG-CE3 4.5Å; R42-W110 PolarHBondContact N-O 3.2Å; R42-K111 HydrophobicContact CB-CD 4.44Å; R42-K111 HydrophobicContact CB-CG 4.48Å
43	L	91.2	Very high	82.6	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-72.3	-38	-179.5	-66.6	172.2	0	0	0	112	V21 L30 L35 S41 L46 S47 F80 Y87 W110	V21-L43 HydrophobicContact CG1-CD2 3.99Å; L30-L43 HydrophobicContact CD1-CD1 3.84Å; L30-L43 HydrophobicContact CD1-CD2 4.12Å; L30-L43 HydrophobicContact CD1-CG 4.48Å; L35-L43 HydrophobicContact CD2-CB 3.76Å; L35-L43 HydrophobicContact CD2-CD1 4.39Å; S41-L43 PolarHBondContact O-N 2.86Å; L43-L46 PolarHBondContact O-N 3.08Å; L43-S47 PolarHBondContact O-N 3.24Å; L43-F80 HydrophobicContact CD1-CE2 3.93Å; L43-F80 HydrophobicContact CD1-CZ 3.98Å; L43-F80 HydrophobicContact CD2-CE2 4.45Å; L43-F80 HydrophobicContact CD2-CZ 4.36Å; L43-Y87 HydrophobicContact CD1-CE2 3.87Å; L43-W110 HydrophobicContact CD1-CE3 4.46Å; L43-W110 HydrophobicContact CD2-CE3 4.11Å; L43-W110 HydrophobicContact CD2-CH2 4.48Å; L43-W110 HydrophobicContact CD2-CZ3 3.62Å; L43-W110 HydrophobicContact CG-CE3 3.96Å; L43-W110 HydrophobicContact CG-CZ3 4.01Å
44	A	88.9	Confident	82	Confident	2 Å²	2	62.9 Å²	62.9	2%	0.017	33%	0.332	C	S	.	.	H	α-helix	trans	-68.5	-40.3	175	0	0	0	0	0	111.5	L35 Y38 S41 L46 S47 N48	L35-A44 HydrophobicContact CB-CB 4.34Å; Y38-A44 WeakPolarHBondContact O-CB 3.46Å; S41-A44 PolarHBondContact O-N 2.81Å; S41-A44 WeakPolarHBondContact OG-CB 3.39Å; S41-A44 PolarHBondContact OG-N 3.39Å; S41-A44 VanDerWaalsContact OG-N 3.1Å; A44-L46 VanDerWaalsContact C-N 3.3Å; A44-L46 PolarHBondContact O-N 3.12Å; A44-S47 PolarHBondContact O-N 3.07Å; A44-N48 WeakPolarHBondContact O-CB 3.43Å; A44-N48 PolarHBondContact O-N 3.22Å; A44-N48 PolarHBondContact O-ND2 3.24Å; A44-N48 VanDerWaalsContact O-ND2 3.17Å
45	E	88.6	Confident	81.5	Confident	62 Å²	62	69.1 Å²	69.1	29%	0.29	36%	0.36	S	S	.	.	H	α-helix	trans	-56.8	-44.6	171.5	-73	178.3	-172.8	0	0	111.3	S41 N48 C49 L60 K111	S41-E45 WeakPolarHBondContact O-CG 3.34Å; S41-E45 PolarHBondContact O-N 2.96Å; E45-N48 PolarHBondContact O-N 2.98Å; E45-C49 PolarHBondContact O-N 3.11Å; E45-C49 PolarHBondContact O-SG 2.53Å; E45-L60 HydrophobicContact CB-CD1 4.37Å; E45-L60 WeakPolarHBondContact OE2-CD2 3.36Å; E45-K111 IonicContact OE1-NZ 3.82Å; E45-K111 PolarHBondContact OE1-NZ 2.93Å; E45-K111 IonicContact OE2-NZ 3.82Å; E45-K111 PolarHBondContact OE2-NZ 2.96Å
46	L	87.6	Confident	81	Confident	1 Å²	1	72.9 Å²	72.9	1%	0.005	38%	0.379	C	S	.	.	H	α-helix	trans	-64.4	-40.6	176.7	-80.5	162	0	0	0	113.4	I19 R42 L43 A44 N48 C49 L60 F71 F73	I19-L46 HydrophobicContact CD1-CB 4.38Å; R42-L46 HydrophobicContact CG-CD1 4.25Å; R42-L46 WeakPolarHBondContact O-CD1 3.45Å; R42-L46 WeakPolarHBondContact O-CG 3.18Å; R42-L46 PolarHBondContact O-N 3.35Å; L43-L46 PolarHBondContact O-N 3.08Å; A44-L46 VanDerWaalsContact C-N 3.3Å; A44-L46 PolarHBondContact O-N 3.12Å; L46-N48 VanDerWaalsContact C-N 3.27Å; L46-N48 PolarHBondContact O-N 3.44Å; L46-C49 WeakPolarHBondContact O-CB 3.46Å; L46-C49 PolarHBondContact O-N 3.3Å; L46-L60 HydrophobicContact CD1-CB 4.33Å; L46-L60 HydrophobicContact CD2-CB 3.63Å; L46-L60 HydrophobicContact CD2-CD1 3.97Å; L46-L60 HydrophobicContact CD2-CG 4.46Å; L46-L60 HydrophobicContact CG-CB 3.93Å; L46-L60 HydrophobicContact CG-CD1 4.08Å; L46-F71 HydrophobicContact CD2-CD1 3.89Å; L46-F71 HydrophobicContact CD2-CE1 3.91Å; L46-F71 HydrophobicContact CD2-CG 4.46Å; L46-F71 HydrophobicContact CD2-CZ 4.48Å; L46-F73 HydrophobicContact CD1-CE1 4.45Å; L46-F73 HydrophobicContact CD1-CE2 4.41Å; L46-F73 HydrophobicContact CD1-CZ 3.57Å
47	S	85.3	Confident	80.7	Confident	23 Å²	23	67.4 Å²	67.4	16%	0.161	36%	0.356	C	S	.	.	H	α-helix	trans	-64.1	-34.7	175.7	178.5	0	0	0	0	112.1	G17 L43 A44 C49	G17-S47 PolarHBondContact O-OG 3.03Å; L43-S47 PolarHBondContact O-N 3.24Å; A44-S47 PolarHBondContact O-N 3.07Å; S47-C49 VanDerWaalsContact C-N 3.32Å
48	N	79.4	Confident	80.3	Confident	117 Å²	117	65.9 Å²	65.9	63%	0.626	36%	0.363	S	S	*	.	H	α-helix	trans	-80.2	-11.5	176.6	-68.1	-33	0	0	0	113.5	A44 E45 L46 S50	A44-N48 WeakPolarHBondContact O-CB 3.43Å; A44-N48 PolarHBondContact O-N 3.22Å; A44-N48 PolarHBondContact O-ND2 3.24Å; A44-N48 VanDerWaalsContact O-ND2 3.17Å; E45-N48 PolarHBondContact O-N 2.98Å; L46-N48 VanDerWaalsContact C-N 3.27Å; L46-N48 PolarHBondContact O-N 3.44Å; N48-S50 PolarHBondContact O-N 3.38Å
49	C	74.1	Confident	80.1	Confident	24 Å²	24	68.4 Å²	68.4	16%	0.162	38%	0.383	C	S	.	.			trans	-73.7	114.8	175.4	-73	0	0	0	0	110.2	E45 L46 S47 L56	E45-C49 PolarHBondContact O-N 3.11Å; E45-C49 PolarHBondContact O-SG 2.53Å; L46-C49 WeakPolarHBondContact O-CB 3.46Å; L46-C49 PolarHBondContact O-N 3.3Å; S47-C49 VanDerWaalsContact C-N 3.32Å; C49-L56 WeakPolarHBondContact SG-CD2 3.46Å
50	S	60.7	Low	79.9	Confident	69 Å²	69	65.2 Å²	65.2	48%	0.483	36%	0.362	S	S	.	.			trans	-64.2	140.8	165.4	-177.9	0	0	0	0	109.8	N48 H52 N53	N48-S50 PolarHBondContact O-N 3.38Å; S50-H52 PolarHBondContact O-N 3.1Å; S50-H52 PolarHBondContact OG-CD2 3.19Å; S50-H52 VanDerWaalsContact OG-CD2 3.28Å; S50-N53 PolarHBondContact O-N 2.68Å
51	A	59.4	Low	79.8	Confident	70 Å²	70	57.9 Å²	57.9	58%	0.579	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	1.3	178.8	0	0	0	0	0	115.5
52	H	58.6	Low	79.7	Confident	156 Å²	156	62.3 Å²	62.3	72%	0.722	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97	-2.1	-176.3	-60.2	-50.1	0	0	0	115	S50 P54	S50-H52 PolarHBondContact O-N 3.1Å; S50-H52 PolarHBondContact OG-CD2 3.19Å; S50-H52 VanDerWaalsContact OG-CD2 3.28Å; H52-P54 VanDerWaalsContact O-CD 3.22Å; H52-P54 WeakPolarHBondContact O-CD 3.37Å
53	N	72.5	Confident	79.5	Confident	98 Å²	98	65.7 Å²	65.7	52%	0.524	37%	0.373	S	S	.	.			trans	-114.9	78.8	178.1	-79.5	-21.5	0	0	0	112.6	S50 E55 L56 I57	S50-N53 PolarHBondContact O-N 2.68Å; N53-E55 VanDerWaalsContact C-N 3.28Å; N53-E55 PolarHBondContact O-N 3.42Å; N53-L56 HydrophobicContact CB-CB 4.13Å; N53-L56 PolarHBondContact O-N 3.09Å; N53-I57 WeakPolarHBondContact O-CG1 3.45Å; N53-I57 PolarHBondContact O-N 2.97Å
54	P	72.4	Confident	79.4	Confident	94 Å²	94	67.7 Å²	67.7	61%	0.61	38%	0.382	S	S	*	.	H	α-helix	trans	-63.4	-30.3	-177.5	23.1	-31.8	0	0	0	113.6	H52 I57 S58	H52-P54 VanDerWaalsContact O-CD 3.22Å; H52-P54 WeakPolarHBondContact O-CD 3.37Å; P54-I57 PolarHBondContact O-N 3.22Å; P54-S58 PolarHBondContact O-N 3.37Å
55	E	76.3	Confident	79.3	Confident	166 Å²	166	70.7 Å²	70.7	78%	0.776	40%	0.397	S	S	*	.	H	α-helix	trans	-64	-44.8	177.1	-66.2	-176.5	176.4	0	0	111.5	N53 S58 T59	N53-E55 VanDerWaalsContact C-N 3.28Å; N53-E55 PolarHBondContact O-N 3.42Å; E55-S58 PolarHBondContact O-N 3.25Å; E55-S58 PolarHBondContact O-OG 3.06Å; E55-T59 PolarHBondContact O-N 3.28Å
56	L	78.1	Confident	79	Confident	82 Å²	82	72.6 Å²	72.6	43%	0.429	42%	0.415	S	S	.	.	H	α-helix	trans	-66.5	-40.1	179	-162.4	72.8	0	0	0	111.4	C49 N53 S58 T59 L60	C49-L56 WeakPolarHBondContact SG-CD2 3.46Å; N53-L56 HydrophobicContact CB-CB 4.13Å; N53-L56 PolarHBondContact O-N 3.09Å; L56-S58 VanDerWaalsContact C-N 3.35Å; L56-S58 PolarHBondContact O-N 3.45Å; L56-T59 PolarHBondContact O-N 3.3Å; L56-T59 PolarHBondContact O-OG1 2.82Å; L56-L60 HydrophobicContact CG-CD1 4.26Å; L56-L60 WeakPolarHBondContact O-CG 3.44Å; L56-L60 PolarHBondContact O-N 3.16Å
57	I	80.3	Confident	78.7	Confident	10 Å²	10	75.9 Å²	75.9	5%	0.051	45%	0.449	C	S	.	.	H	α-helix	trans	-60.7	-45.8	176.7	-66	169.8	0	0	0	110.3	N53 P54 T59 L60 C61 F64 F71	N53-I57 WeakPolarHBondContact O-CG1 3.45Å; N53-I57 PolarHBondContact O-N 2.97Å; P54-I57 PolarHBondContact O-N 3.22Å; I57-T59 PolarHBondContact O-N 3.06Å; I57-T59 VanDerWaalsContact O-N 3.14Å; I57-L60 PolarHBondContact O-N 3.09Å; I57-C61 VanDerWaalsContact CG2-SG 3.52Å; I57-C61 PolarHBondContact O-N 2.88Å; I57-C61 PolarHBondContact O-SG 2.76Å; I57-F64 HydrophobicContact CD1-CD1 4.43Å; I57-F64 HydrophobicContact CD1-CE1 4.41Å; I57-F64 HydrophobicContact CG2-CB 3.72Å; I57-F64 HydrophobicContact CG2-CD1 4.29Å; I57-F64 HydrophobicContact CG2-CG 3.95Å; I57-F71 HydrophobicContact CG1-CE1 4.49Å; I57-F71 HydrophobicContact CG2-CD1 4.28Å; I57-F71 HydrophobicContact CG2-CE1 4.05Å
58	S	79.7	Confident	78.4	Confident	85 Å²	85	82.9 Å²	82.9	59%	0.594	47%	0.472	S	S	*	.	H	α-helix	trans	-63.5	-20	179.3	74.2	0	0	0	0	114.4	P54 E55 L56	P54-S58 PolarHBondContact O-N 3.37Å; E55-S58 PolarHBondContact O-N 3.25Å; E55-S58 PolarHBondContact O-OG 3.06Å; L56-S58 VanDerWaalsContact C-N 3.35Å; L56-S58 PolarHBondContact O-N 3.45Å
59	T	84.6	Confident	78.6	Confident	97 Å²	97	80.8 Å²	80.8	60%	0.595	46%	0.461	S	S	*	.	H	α-helix	trans	-85.6	-22.8	174	63	0	0	0	0	113.6	E55 L56 I57	E55-T59 PolarHBondContact O-N 3.28Å; L56-T59 PolarHBondContact O-N 3.3Å; L56-T59 PolarHBondContact O-OG1 2.82Å; I57-T59 PolarHBondContact O-N 3.06Å; I57-T59 VanDerWaalsContact O-N 3.14Å
60	L	84.8	Confident	79.3	Confident	13 Å²	13	80.8 Å²	80.8	7%	0.068	46%	0.458	C	S	.	.	H	α-helix	trans	-98.2	-35.2	-172.6	-68.1	172	0	0	0	112.4	R42 E45 L46 L56 I57 F73	R42-L60 WeakPolarHBondContact CD-O 3.36Å; R42-L60 HydrophobicContact CG-CD2 4.25Å; R42-L60 PolarHBondContact NH1-O 3.48Å; E45-L60 HydrophobicContact CB-CD1 4.37Å; E45-L60 WeakPolarHBondContact OE2-CD2 3.36Å; L46-L60 HydrophobicContact CD1-CB 4.33Å; L46-L60 HydrophobicContact CD2-CB 3.63Å; L46-L60 HydrophobicContact CD2-CD1 3.97Å; L46-L60 HydrophobicContact CD2-CG 4.46Å; L46-L60 HydrophobicContact CG-CB 3.93Å; L46-L60 HydrophobicContact CG-CD1 4.08Å; L56-L60 HydrophobicContact CG-CD1 4.26Å; L56-L60 WeakPolarHBondContact O-CG 3.44Å; L56-L60 PolarHBondContact O-N 3.16Å; I57-L60 PolarHBondContact O-N 3.09Å; L60-F73 VanDerWaalsContact O-CE1 3.3Å; L60-F73 WeakPolarHBondContact O-CE1 3.35Å
61	C	88.1	Confident	80.7	Confident	6 Å²	6	77.9 Å²	77.9	4%	0.041	44%	0.437	C	S	.	.			trans	-126.5	161	178.2	65.7	0	0	0	0	112.2	I57 D63 F71 F73	I57-C61 VanDerWaalsContact CG2-SG 3.52Å; I57-C61 PolarHBondContact O-N 2.88Å; I57-C61 PolarHBondContact O-SG 2.76Å; C61-D63 PolarHBondContact SG-O 2.79Å; C61-F71 HydrophobicContact CB-CB 4.28Å; C61-F71 HydrophobicContact CB-CD1 4.46Å; C61-F73 HydrophobicContact CB-CD1 4.44Å; C61-F73 HydrophobicContact CB-CE1 3.87Å; C61-F73 HydrophobicContact CB-CE2 4.22Å; C61-F73 HydrophobicContact CB-CZ 3.76Å
62	D	89.9	Confident	82.3	Confident	96 Å²	96	78 Å²	78	51%	0.513	42%	0.423	S	S	.	.	S	Bend	trans	-78.2	-34.2	-177.7	-62.8	-46.6	0	0	0	112	Y72 F73 D74	D62-Y72 HydrophobicContact CB-CD1 4.3Å; D62-Y72 PolarHBondContact N-O 2.94Å; D62-F73 WeakPolarHBondContact OD2-CA 3.45Å; D62-D74 PolarHBondContact OD2-N 3.36Å
63	D	89.1	Confident	84.1	Confident	108 Å²	108	70.5 Å²	70.5	58%	0.578	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-151.8	157.9	174.6	-161.5	4.3	0	0	0	110.8	C61 Y72	C61-D63 PolarHBondContact SG-O 2.79Å; D63-Y72 HydrophobicContact CB-CD1 4.18Å; D63-Y72 PolarHBondContact N-O 3.14Å; D63-Y72 PolarHBondContact O-N 3.36Å
64	F	89.1	Confident	85.1	Confident	43 Å²	43	71.6 Å²	71.6	19%	0.189	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	122.6	179.6	176.3	-116.3	0	0	0	111.1	I57 P66 E70 F71	I57-F64 HydrophobicContact CD1-CD1 4.43Å; I57-F64 HydrophobicContact CD1-CE1 4.41Å; I57-F64 HydrophobicContact CG2-CB 3.72Å; I57-F64 HydrophobicContact CG2-CD1 4.29Å; I57-F64 HydrophobicContact CG2-CG 3.95Å; F64-P66 HydrophobicContact CD1-CB 4.44Å; F64-P66 HydrophobicContact CE1-CB 3.9Å; F64-P66 WeakPolarHBondContact O-CD 3.48Å; F64-E70 WeakPolarHBondContact CD2-O 3.38Å; F64-F71 HydrophobicContact CB-CD1 4.47Å; F64-F71 AromaticContact CD2-CD1 3.32Å; F64-F71 HydrophobicContact CD2-CD1 3.32Å; F64-F71 HydrophobicContact CD2-CD2 4.48Å; F64-F71 AromaticContact CD2-CE1 3.33Å; F64-F71 HydrophobicContact CD2-CE1 3.33Å; F64-F71 HydrophobicContact CD2-CE2 4.49Å; F64-F71 AromaticContact CD2-CG 3.94Å; F64-F71 HydrophobicContact CD2-CG 3.94Å; F64-F71 AromaticContact CD2-CZ 3.96Å; F64-F71 HydrophobicContact CD2-CZ 3.96Å; F64-F71 AromaticContact CE2-CD1 3.82Å; F64-F71 HydrophobicContact CE2-CD1 3.82Å; F64-F71 HydrophobicContact CE2-CD2 4.4Å; F64-F71 AromaticContact CE2-CE1 3.42Å; F64-F71 HydrophobicContact CE2-CE1 3.42Å; F64-F71 VanDerWaalsContact CE2-CE1 3.42Å; F64-F71 HydrophobicContact CE2-CE2 4.05Å; F64-F71 HydrophobicContact CE2-CG 4.3Å; F64-F71 AromaticContact CE2-CZ 3.55Å; F64-F71 HydrophobicContact CE2-CZ 3.55Å; F64-F71 HydrophobicContact CG-CD1 4.17Å; F64-F71 HydrophobicContact CG-CE1 4.14Å; F64-F71 HydrophobicContact CZ-CE1 4.29Å; F64-F71 HydrophobicContact CZ-CZ 4.33Å
65	D	86.9	Confident	86.1	Confident	64 Å²	64	69.9 Å²	69.9	34%	0.342	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	102.3	173	-177.6	-6.3	0	0	0	110.2	G67 R68 N69 E70	D65-G67 PolarHBondContact O-N 3.01Å; D65-G67 WeakPolarHBondContact OD1-CA 3.48Å; D65-G67 PolarHBondContact OD1-N 2.66Å; D65-R68 HydrophobicContact CB-CB 4.42Å; D65-R68 PolarHBondContact O-N 2.92Å; D65-R68 PolarHBondContact OD1-N 2.68Å; D65-R68 VanDerWaalsContact OD2-CD 3.25Å; D65-R68 WeakPolarHBondContact OD2-CD 3.35Å; D65-R68 VanDerWaalsContact OD2-CG 3.28Å; D65-R68 WeakPolarHBondContact OD2-CG 3.47Å; D65-R68 IonicContact OD2-NE 3.67Å; D65-N69 WeakPolarHBondContact O-CA 3.44Å; D65-N69 PolarHBondContact O-N 3.03Å; D65-E70 PolarHBondContact N-O 2.68Å; D65-E70 PolarHBondContact O-N 3Å; D65-E70 VanDerWaalsContact O-N 3.15Å
66	P	82.3	Confident	86.9	Confident	102 Å²	102	65.3 Å²	65.3	66%	0.662	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-23	179.3	26.8	-34.1	0	0	0	113.1	F64 R68	F64-P66 HydrophobicContact CD1-CB 4.44Å; F64-P66 HydrophobicContact CE1-CB 3.9Å; F64-P66 WeakPolarHBondContact O-CD 3.48Å; P66-R68 VanDerWaalsContact C-N 3.35Å
67	G	80.7	Confident	87.6	Confident	70 Å²	70	63 Å²	63	72%	0.722	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-29.2	178.6	0	0	0	0	0	112.8	D65	D65-G67 PolarHBondContact O-N 3.01Å; D65-G67 WeakPolarHBondContact OD1-CA 3.48Å; D65-G67 PolarHBondContact OD1-N 2.66Å
68	R	79.7	Confident	88.1	Confident	170 Å²	170	65.4 Å²	65.4	64%	0.642	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.1	-4.1	178.6	-65	-177.7	179.1	-131.6	-3.8	113.8	D65 P66 E70	D65-R68 HydrophobicContact CB-CB 4.42Å; D65-R68 PolarHBondContact O-N 2.92Å; D65-R68 PolarHBondContact OD1-N 2.68Å; D65-R68 VanDerWaalsContact OD2-CD 3.25Å; D65-R68 WeakPolarHBondContact OD2-CD 3.35Å; D65-R68 VanDerWaalsContact OD2-CG 3.28Å; D65-R68 WeakPolarHBondContact OD2-CG 3.47Å; D65-R68 IonicContact OD2-NE 3.67Å; P66-R68 VanDerWaalsContact C-N 3.35Å; R68-E70 HydrophobicContact CB-CB 4.03Å; R68-E70 PolarHBondContact O-N 3.32Å
69	N	82.8	Confident	88.8	Confident	74 Å²	74	61.7 Å²	61.7	40%	0.396	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.7	49.8	-169.5	-163.4	38	0	0	0	111.3	D65	D65-N69 WeakPolarHBondContact O-CA 3.44Å; D65-N69 PolarHBondContact O-N 3.03Å
70	E	88.7	Confident	89.3	Confident	23 Å²	23	57.3 Å²	57.3	11%	0.107	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	125	-172.7	-179.7	171.6	-86.5	0	0	110.8	T20 N22 R27 F64 D65 R68	T20-E70 HydrophobicContact CG2-CB 4.27Å; T20-E70 HydrophobicContact CG2-CG 4.02Å; T20-E70 WeakPolarHBondContact O-CA 3.39Å; N22-E70 HydrophobicContact CB-CG 3.74Å; N22-E70 PolarHBondContact ND2-OE2 3.18Å; R27-E70 WeakPolarHBondContact CD-OE1 3.25Å; R27-E70 WeakPolarHBondContact CG-OE1 3.4Å; R27-E70 IonicContact CZ-OE1 3.9Å; R27-E70 IonicContact NE-OE1 2.81Å; R27-E70 PolarHBondContact NE-OE1 3.15Å; F64-E70 WeakPolarHBondContact CD2-O 3.38Å; D65-E70 PolarHBondContact N-O 2.68Å; D65-E70 PolarHBondContact O-N 3Å; D65-E70 VanDerWaalsContact O-N 3.15Å; R68-E70 HydrophobicContact CB-CB 4.03Å; R68-E70 PolarHBondContact O-N 3.32Å
71	F	91.4	Very high	89.6	Confident	8 Å²	8	60.4 Å²	60.4	4%	0.035	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	123.4	175.7	-58.4	-83.5	0	0	0	110.2	I19 T20 V21 N22 L46 I57 C61 F64 F73	I19-F71 HydrophobicContact CB-CD2 4.44Å; I19-F71 HydrophobicContact CB-CE2 4.21Å; I19-F71 HydrophobicContact CG2-CE2 4.14Å; T20-F71 WeakPolarHBondContact O-CD2 3.34Å; T20-F71 PolarHBondContact O-N 3.05Å; V21-F71 CarbonylContact C-O 3.58Å; V21-F71 WeakPolarHBondContact CA-O 3.42Å; V21-F71 HydrophobicContact CG1-CB 4.4Å; N22-F71 PolarHBondContact N-O 3.1Å; L46-F71 HydrophobicContact CD2-CD1 3.89Å; L46-F71 HydrophobicContact CD2-CE1 3.91Å; L46-F71 HydrophobicContact CD2-CG 4.46Å; L46-F71 HydrophobicContact CD2-CZ 4.48Å; I57-F71 HydrophobicContact CG1-CE1 4.49Å; I57-F71 HydrophobicContact CG2-CD1 4.28Å; I57-F71 HydrophobicContact CG2-CE1 4.05Å; C61-F71 HydrophobicContact CB-CB 4.28Å; C61-F71 HydrophobicContact CB-CD1 4.46Å; F64-F71 HydrophobicContact CB-CD1 4.47Å; F64-F71 AromaticContact CD2-CD1 3.32Å; F64-F71 HydrophobicContact CD2-CD1 3.32Å; F64-F71 HydrophobicContact CD2-CD2 4.48Å; F64-F71 AromaticContact CD2-CE1 3.33Å; F64-F71 HydrophobicContact CD2-CE1 3.33Å; F64-F71 HydrophobicContact CD2-CE2 4.49Å; F64-F71 AromaticContact CD2-CG 3.94Å; F64-F71 HydrophobicContact CD2-CG 3.94Å; F64-F71 AromaticContact CD2-CZ 3.96Å; F64-F71 HydrophobicContact CD2-CZ 3.96Å; F64-F71 AromaticContact CE2-CD1 3.82Å; F64-F71 HydrophobicContact CE2-CD1 3.82Å; F64-F71 HydrophobicContact CE2-CD2 4.4Å; F64-F71 AromaticContact CE2-CE1 3.42Å; F64-F71 HydrophobicContact CE2-CE1 3.42Å; F64-F71 VanDerWaalsContact CE2-CE1 3.42Å; F64-F71 HydrophobicContact CE2-CE2 4.05Å; F64-F71 HydrophobicContact CE2-CG 4.3Å; F64-F71 AromaticContact CE2-CZ 3.55Å; F64-F71 HydrophobicContact CE2-CZ 3.55Å; F64-F71 HydrophobicContact CG-CD1 4.17Å; F64-F71 HydrophobicContact CG-CE1 4.14Å; F64-F71 HydrophobicContact CZ-CE1 4.29Å; F64-F71 HydrophobicContact CZ-CZ 4.33Å; F71-F73 HydrophobicContact CB-CE2 3.94Å
72	Y	92.8	Very high	89.8	Confident	72 Å²	72	60.4 Å²	60.4	28%	0.282	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	142.4	-179	179.2	-99.4	0	0	0	112.3	N22 D62 D63 D74	N22-Y72 HydrophobicContact CB-CD2 4.16Å; N22-Y72 CarbonylContact O-C 3.59Å; N22-Y72 WeakPolarHBondContact O-CA 3.37Å; D62-Y72 HydrophobicContact CB-CD1 4.3Å; D62-Y72 PolarHBondContact N-O 2.94Å; D63-Y72 HydrophobicContact CB-CD1 4.18Å; D63-Y72 PolarHBondContact N-O 3.14Å; D63-Y72 PolarHBondContact O-N 3.36Å; Y72-D74 HydrophobicContact CE1-CB 3.98Å; Y72-D74 PolarHBondContact OH-OD1 2.72Å
73	F	95.1	Very high	90.1	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	124.5	176.3	-62.4	-92.1	0	0	0	110.2	V21 N22 I23 G24 L46 L60 C61 D62 F71 R75 F109 W110	V21-F73 HydrophobicContact CB-CE2 4.28Å; V21-F73 HydrophobicContact CG1-CE2 4.08Å; N22-F73 PolarHBondContact O-N 3.39Å; I23-F73 HydrophobicContact CD1-CB 3.66Å; I23-F73 HydrophobicContact CD1-CD2 3.4Å; I23-F73 HydrophobicContact CD1-CE2 4.25Å; I23-F73 HydrophobicContact CD1-CG 3.76Å; G24-F73 PolarHBondContact N-O 3.46Å; L46-F73 HydrophobicContact CD1-CE1 4.45Å; L46-F73 HydrophobicContact CD1-CE2 4.41Å; L46-F73 HydrophobicContact CD1-CZ 3.57Å; L60-F73 VanDerWaalsContact O-CE1 3.3Å; L60-F73 WeakPolarHBondContact O-CE1 3.35Å; C61-F73 HydrophobicContact CB-CD1 4.44Å; C61-F73 HydrophobicContact CB-CE1 3.87Å; C61-F73 HydrophobicContact CB-CE2 4.22Å; C61-F73 HydrophobicContact CB-CZ 3.76Å; D62-F73 WeakPolarHBondContact OD2-CA 3.45Å; F71-F73 HydrophobicContact CB-CE2 3.94Å; F73-R75 HydrophobicContact CB-CG 4.22Å; F73-R75 PolarHBondContact O-N 3.41Å; F73-F109 AromaticContact CD1-CE1 3.98Å; F73-F109 HydrophobicContact CD1-CE1 3.98Å; F73-F109 AromaticContact CD1-CZ 3.89Å; F73-F109 HydrophobicContact CD1-CZ 3.89Å; F73-F109 HydrophobicContact CE1-CE1 4.18Å; F73-F109 HydrophobicContact CE1-CZ 4.17Å; F73-W110 HydrophobicContact CB-CH2 4.4Å; F73-W110 AromaticContact CD1-CH2 3.65Å; F73-W110 HydrophobicContact CD1-CH2 3.65Å; F73-W110 HydrophobicContact CD1-CZ2 4.45Å; F73-W110 HydrophobicContact CD1-CZ3 4.18Å; F73-W110 AromaticContact CD2-CH2 3.96Å; F73-W110 HydrophobicContact CD2-CH2 3.96Å; F73-W110 AromaticContact CE1-CH2 3.72Å; F73-W110 HydrophobicContact CE1-CH2 3.72Å; F73-W110 AromaticContact CE1-CZ3 3.78Å; F73-W110 HydrophobicContact CE1-CZ3 3.78Å; F73-W110 HydrophobicContact CE2-CH2 4.04Å; F73-W110 HydrophobicContact CE2-CZ3 4.28Å; F73-W110 AromaticContact CG-CH2 3.74Å; F73-W110 HydrophobicContact CG-CH2 3.74Å; F73-W110 AromaticContact CZ-CH2 3.91Å; F73-W110 HydrophobicContact CZ-CH2 3.91Å; F73-W110 AromaticContact CZ-CZ3 3.82Å; F73-W110 HydrophobicContact CZ-CZ3 3.82Å
74	D	94.7	Very high	90.2	Very high	120 Å²	120	51.5 Å²	51.5	64%	0.642	27%	0.271	S	S	*	.			trans	-82.3	63.2	176.1	-167.6	27.2	0	0	0	111.1	D62 Y72	D62-D74 PolarHBondContact OD2-N 3.36Å; Y72-D74 HydrophobicContact CE1-CB 3.98Å; Y72-D74 PolarHBondContact OH-OD1 2.72Å
75	R	94.1	Very high	90.3	Very high	59 Å²	59	52.3 Å²	52.3	22%	0.223	28%	0.277	C	S	.	.	S	Bend	trans	-132.7	168.1	-174.9	-49.3	-153.3	99.2	-148	3.6	112.5	I23 F73 P77 E106 F109	I23-R75 HydrophobicContact CG2-CB 4.21Å; I23-R75 WeakPolarHBondContact CG2-O 3.39Å; F73-R75 HydrophobicContact CB-CG 4.22Å; F73-R75 PolarHBondContact O-N 3.41Å; R75-P77 VanDerWaalsContact O-CD 3.3Å; R75-P77 WeakPolarHBondContact O-CD 3.44Å; R75-E106 IonicContact CZ-OE1 3.32Å; R75-E106 IonicContact CZ-OE2 3.53Å; R75-E106 IonicContact NE-OE1 3.29Å; R75-E106 IonicContact NE-OE2 2.77Å; R75-E106 IonicContact NH1-OE1 3.87Å; R75-E106 PolarHBondContact NH1-OE1 3.43Å; R75-E106 IonicContact NH1-OE2 3.41Å; R75-E106 PolarHBondContact NH1-OE2 2.79Å; R75-E106 IonicContact NH2-OE1 3.77Å; R75-E106 PolarHBondContact NH2-OE1 3.09Å; R75-E106 VanDerWaalsContact NH2-OE1 3.12Å; R75-F109 VanDerWaalsContact CD-CE1 3.45Å; R75-F109 VanDerWaalsContact CZ-CG 3.48Å; R75-F109 VanDerWaalsContact NH1-CD1 3.31Å
76	D	92.1	Very high	90.6	Very high	70 Å²	70	49.3 Å²	49.3	37%	0.374	26%	0.261	S	S	.	.			trans	-71.6	116.2	-177.5	176.7	58.3	0	0	0	111.8	D78 S79 F80	D76-D78 VanDerWaalsContact C-N 3.26Å; D76-D78 PolarHBondContact O-N 3.42Å; D76-D78 PolarHBondContact OD2-N 3.34Å; D76-S79 PolarHBondContact O-N 3.49Å; D76-S79 WeakPolarHBondContact OD2-CB 3.27Å; D76-S79 PolarHBondContact OD2-N 3.01Å; D76-S79 PolarHBondContact OD2-OG 3.28Å; D76-F80 PolarHBondContact O-N 3.11Å
77	P	93	Very high	91	Very high	32 Å²	32	44.7 Å²	44.7	21%	0.208	23%	0.231	C	C	.	.	H	α-helix	trans	-69.7	-21.4	-177.9	25.6	-32.4	0	0	0	113.3	I23 V26 R75 K81	I23-P77 HydrophobicContact CG2-CB 4.36Å; V26-P77 HydrophobicContact CB-CB 4Å; V26-P77 HydrophobicContact CG2-CB 3.67Å; V26-P77 HydrophobicContact CG2-CG 3.96Å; R75-P77 VanDerWaalsContact O-CD 3.3Å; R75-P77 WeakPolarHBondContact O-CD 3.44Å; P77-K81 WeakPolarHBondContact O-CG 3.05Å; P77-K81 PolarHBondContact O-N 3.46Å
78	D	91.4	Very high	91.4	Very high	62 Å²	62	43.2 Å²	43.2	33%	0.332	20%	0.203	S	C	.	.	H	α-helix	trans	-74.4	-38.2	177.1	-83.5	-38.1	0	0	0	112.4	D76 K81 K95 I98	D76-D78 VanDerWaalsContact C-N 3.26Å; D76-D78 PolarHBondContact O-N 3.42Å; D76-D78 PolarHBondContact OD2-N 3.34Å; D78-K81 PolarHBondContact O-N 3.26Å; D78-K81 IonicContact OD1-NZ 2.96Å; D78-K81 PolarHBondContact OD1-NZ 3.24Å; D78-K95 IonicContact OD1-NZ 3.91Å; D78-I98 HydrophobicContact CB-CD1 4.49Å
79	S	93.6	Very high	91.9	Very high	7 Å²	7	41 Å²	41	5%	0.049	20%	0.199	C	C	.	.	H	α-helix	trans	-64.6	-42.8	171.6	-58.8	0	0	0	0	111.2	D76 K81 C82 I83 F103	D76-S79 PolarHBondContact O-N 3.49Å; D76-S79 WeakPolarHBondContact OD2-CB 3.27Å; D76-S79 PolarHBondContact OD2-N 3.01Å; D76-S79 PolarHBondContact OD2-OG 3.28Å; S79-K81 VanDerWaalsContact C-N 3.26Å; S79-K81 PolarHBondContact O-N 3.03Å; S79-C82 PolarHBondContact O-N 3.46Å; S79-C82 VanDerWaalsContact O-N 3.09Å; S79-I83 PolarHBondContact O-N 3.33Å; S79-F103 WeakPolarHBondContact O-CE2 3.43Å
80	F	94.7	Very high	92.3	Very high	4 Å²	4	40.8 Å²	40.8	2%	0.018	20%	0.198	C	C	.	.	H	α-helix	trans	-61.1	-31.5	178.9	-173	-112.7	0	0	0	114	V21 I23 V28 L30 L43 D76 C82 I83 I84 W110	V21-F80 HydrophobicContact CG2-CE1 3.92Å; V21-F80 HydrophobicContact CG2-CZ 3.89Å; I23-F80 HydrophobicContact CB-CD1 4.34Å; I23-F80 HydrophobicContact CB-CG 4.48Å; I23-F80 HydrophobicContact CD1-CD1 4.31Å; I23-F80 HydrophobicContact CD1-CD2 4.32Å; I23-F80 HydrophobicContact CD1-CE1 4.16Å; I23-F80 HydrophobicContact CD1-CE2 4.23Å; I23-F80 HydrophobicContact CD1-CG 4.35Å; I23-F80 HydrophobicContact CD1-CZ 4.15Å; I23-F80 HydrophobicContact CG1-CB 4.3Å; I23-F80 HydrophobicContact CG1-CD1 3.44Å; I23-F80 VanDerWaalsContact CG1-CD1 3.44Å; I23-F80 HydrophobicContact CG1-CD2 4.2Å; I23-F80 HydrophobicContact CG1-CE1 3.6Å; I23-F80 HydrophobicContact CG1-CE2 4.37Å; I23-F80 HydrophobicContact CG1-CG 3.73Å; I23-F80 HydrophobicContact CG1-CZ 4.1Å; I23-F80 HydrophobicContact CG2-CB 4.01Å; I23-F80 HydrophobicContact CG2-CG 4.33Å; V28-F80 HydrophobicContact CG2-CE1 4.44Å; L30-F80 HydrophobicContact CD1-CZ 4.32Å; L43-F80 HydrophobicContact CD1-CE2 3.93Å; L43-F80 HydrophobicContact CD1-CZ 3.98Å; L43-F80 HydrophobicContact CD2-CE2 4.45Å; L43-F80 HydrophobicContact CD2-CZ 4.36Å; D76-F80 PolarHBondContact O-N 3.11Å; F80-C82 VanDerWaalsContact C-N 3.26Å; F80-C82 PolarHBondContact O-N 3.04Å; F80-I83 HydrophobicContact CD2-CB 4.32Å; F80-I83 HydrophobicContact CD2-CG2 4.27Å; F80-I83 HydrophobicContact CE2-CG2 4.39Å; F80-I83 WeakPolarHBondContact O-CB 3.44Å; F80-I83 PolarHBondContact O-N 3.33Å; F80-I83 VanDerWaalsContact O-N 3.11Å; F80-I84 HydrophobicContact CD1-CD1 3.38Å; F80-I84 HydrophobicContact CD1-CG1 3.94Å; F80-I84 HydrophobicContact CE1-CD1 3.16Å; F80-I84 HydrophobicContact CE1-CG1 3.61Å; F80-I84 HydrophobicContact CE2-CG1 4.34Å; F80-I84 HydrophobicContact CG-CD1 4.32Å; F80-I84 HydrophobicContact CG-CG1 4.49Å; F80-I84 HydrophobicContact CZ-CD1 3.9Å; F80-I84 HydrophobicContact CZ-CG1 3.8Å; F80-I84 WeakPolarHBondContact O-CG1 3.43Å; F80-I84 PolarHBondContact O-N 2.86Å; F80-W110 HydrophobicContact CD2-CD2 4.27Å; F80-W110 AromaticContact CD2-CE2 3.57Å; F80-W110 AromaticContact CD2-CH2 4Å; F80-W110 HydrophobicContact CD2-CH2 4Å; F80-W110 AromaticContact CD2-CZ2 3.43Å; F80-W110 HydrophobicContact CD2-CZ2 3.43Å; F80-W110 VanDerWaalsContact CD2-CZ2 3.43Å; F80-W110 AromaticContact CD2-NE1 3.9Å; F80-W110 HydrophobicContact CE2-CD2 4.15Å; F80-W110 AromaticContact CE2-CE2 3.82Å; F80-W110 HydrophobicContact CE2-CE3 4.2Å; F80-W110 AromaticContact CE2-CH2 3.66Å; F80-W110 HydrophobicContact CE2-CH2 3.66Å; F80-W110 AromaticContact CE2-CZ2 3.58Å; F80-W110 HydrophobicContact CE2-CZ2 3.58Å; F80-W110 AromaticContact CE2-CZ3 3.97Å; F80-W110 HydrophobicContact CE2-CZ3 3.97Å; F80-W110 HydrophobicContact CG-CZ2 4.46Å
81	K	91.4	Very high	92.4	Very high	78 Å²	78	44.6 Å²	44.6	34%	0.339	22%	0.215	S	C	.	.	H	α-helix	trans	-57.7	-41.4	175	-71.7	165.4	-165.1	165.8	0	112	P77 D78 S79 I83 I84	P77-K81 WeakPolarHBondContact O-CG 3.05Å; P77-K81 PolarHBondContact O-N 3.46Å; D78-K81 PolarHBondContact O-N 3.26Å; D78-K81 IonicContact OD1-NZ 2.96Å; D78-K81 PolarHBondContact OD1-NZ 3.24Å; S79-K81 VanDerWaalsContact C-N 3.26Å; S79-K81 PolarHBondContact O-N 3.03Å; K81-I83 VanDerWaalsContact C-N 3.33Å; K81-I84 PolarHBondContact O-N 3.42Å
82	C	92.9	Very high	92.6	Very high	6 Å²	6	44.2 Å²	44.2	4%	0.041	21%	0.214	C	C	.	.	H	α-helix	trans	-72.3	-31.5	178.9	-48.1	0	0	0	0	111.3	S79 F80 D85 I92 F103	S79-C82 PolarHBondContact O-N 3.46Å; S79-C82 VanDerWaalsContact O-N 3.09Å; F80-C82 VanDerWaalsContact C-N 3.26Å; F80-C82 PolarHBondContact O-N 3.04Å; C82-D85 PolarHBondContact O-N 2.73Å; C82-I92 HydrophobicContact CB-CG2 4.38Å; C82-F103 HydrophobicContact CB-CE2 3.68Å; C82-F103 HydrophobicContact CB-CZ 3.65Å
83	I	94.8	Very high	92.6	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-65.7	-40.6	176.6	-67.9	-66.6	0	0	0	111.3	S79 F80 K81 D85 V86 F103 M107 W110 I112	S79-I83 PolarHBondContact O-N 3.33Å; F80-I83 HydrophobicContact CD2-CB 4.32Å; F80-I83 HydrophobicContact CD2-CG2 4.27Å; F80-I83 HydrophobicContact CE2-CG2 4.39Å; F80-I83 WeakPolarHBondContact O-CB 3.44Å; F80-I83 PolarHBondContact O-N 3.33Å; F80-I83 VanDerWaalsContact O-N 3.11Å; K81-I83 VanDerWaalsContact C-N 3.33Å; I83-D85 PolarHBondContact O-N 2.93Å; I83-V86 VanDerWaalsContact O-CG1 3.27Å; I83-V86 WeakPolarHBondContact O-CG1 3.45Å; I83-V86 PolarHBondContact O-N 2.89Å; I83-F103 HydrophobicContact CD1-CE2 4.15Å; I83-F103 HydrophobicContact CD1-CZ 3.86Å; I83-F103 HydrophobicContact CG1-CE2 4.17Å; I83-F103 HydrophobicContact CG1-CZ 4.24Å; I83-M107 HydrophobicContact CD1-CB 4.35Å; I83-M107 HydrophobicContact CD1-CG 3.63Å; I83-W110 HydrophobicContact CG1-CG 4.46Å; I83-W110 HydrophobicContact CG2-CB 4.05Å; I83-W110 HydrophobicContact CG2-CD2 4.42Å; I83-W110 HydrophobicContact CG2-CG 3.84Å; I83-I112 HydrophobicContact CD1-CD1 4.27Å; I83-I112 HydrophobicContact CG2-CD1 3.51Å
84	I	92.5	Very high	92.5	Very high	18 Å²	18	45.8 Å²	45.8	9%	0.092	22%	0.224	C	C	.	.	H	α-helix	trans	-62.9	-32.4	179.3	-72.4	165.5	0	0	0	111.9	V28 L30 F80 K81 V86 Y87 Y88	V28-I84 HydrophobicContact CG1-CD1 4.06Å; L30-I84 HydrophobicContact CD2-CD1 4.4Å; L30-I84 HydrophobicContact CD2-CG1 4.37Å; L30-I84 HydrophobicContact CD2-CG2 4.44Å; F80-I84 HydrophobicContact CD1-CD1 3.38Å; F80-I84 HydrophobicContact CD1-CG1 3.94Å; F80-I84 HydrophobicContact CE1-CD1 3.16Å; F80-I84 HydrophobicContact CE1-CG1 3.61Å; F80-I84 HydrophobicContact CE2-CG1 4.34Å; F80-I84 HydrophobicContact CG-CD1 4.32Å; F80-I84 HydrophobicContact CG-CG1 4.49Å; F80-I84 HydrophobicContact CZ-CD1 3.9Å; F80-I84 HydrophobicContact CZ-CG1 3.8Å; F80-I84 WeakPolarHBondContact O-CG1 3.43Å; F80-I84 PolarHBondContact O-N 2.86Å; K81-I84 PolarHBondContact O-N 3.42Å; I84-V86 PolarHBondContact O-N 2.8Å; I84-V86 VanDerWaalsContact O-N 3.09Å; I84-Y87 WeakPolarHBondContact O-CD2 3.36Å; I84-Y87 PolarHBondContact O-N 3.09Å; I84-Y87 VanDerWaalsContact O-N 3.11Å; I84-Y88 HydrophobicContact CG2-CD2 3.85Å; I84-Y88 HydrophobicContact CG2-CE2 3.36Å; I84-Y88 WeakPolarHBondContact O-CD2 3.47Å
85	D	91.6	Very high	92.3	Very high	60 Å²	60	45.2 Å²	45.2	32%	0.321	22%	0.216	S	C	.	.	H	α-helix	trans	-58.2	-27.3	-176.7	-71.4	-25.2	0	0	0	112.6	C82 I83 Y87 Y88 F89	C82-D85 PolarHBondContact O-N 2.73Å; I83-D85 PolarHBondContact O-N 2.93Å; D85-Y87 VanDerWaalsContact C-N 3.29Å; D85-Y87 PolarHBondContact O-N 3.05Å; D85-Y88 PolarHBondContact O-N 2.55Å; D85-Y88 VanDerWaalsContact O-N 3.16Å; D85-F89 HydrophobicContact CB-CD2 4.02Å; D85-F89 WeakPolarHBondContact O-CD2 3.02Å; D85-F89 PolarHBondContact O-N 3.35Å
86	V	92.6	Very high	91.9	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-59.6	-37.8	177.9	84	0	0	0	0	113	Y38 I83 I84 Y88 D90 I92 I112 V116	Y38-V86 HydrophobicContact CD2-CG1 4.25Å; Y38-V86 HydrophobicContact CD2-CG2 4.48Å; Y38-V86 HydrophobicContact CE1-CG2 4.04Å; Y38-V86 HydrophobicContact CE2-CB 4.48Å; Y38-V86 HydrophobicContact CE2-CG1 4.29Å; Y38-V86 HydrophobicContact CE2-CG2 3.78Å; Y38-V86 WeakPolarHBondContact CE2-O 3.4Å; I83-V86 VanDerWaalsContact O-CG1 3.27Å; I83-V86 WeakPolarHBondContact O-CG1 3.45Å; I83-V86 PolarHBondContact O-N 2.89Å; I84-V86 PolarHBondContact O-N 2.8Å; I84-V86 VanDerWaalsContact O-N 3.09Å; V86-Y88 VanDerWaalsContact C-N 3.27Å; V86-Y88 PolarHBondContact O-N 3.26Å; V86-D90 WeakPolarHBondContact O-CA 3.3Å; V86-D90 PolarHBondContact O-N 2.83Å; V86-I92 HydrophobicContact CB-CD1 3.83Å; V86-I92 HydrophobicContact CB-CG1 3.71Å; V86-I92 HydrophobicContact CG2-CD1 4.08Å; V86-I92 HydrophobicContact CG2-CG1 3.98Å; V86-I112 HydrophobicContact CG1-CD1 3.93Å; V86-I112 HydrophobicContact CG2-CG2 4.41Å; V86-V116 HydrophobicContact CG2-CB 3.99Å; V86-V116 HydrophobicContact CG2-CG1 4.12Å; V86-V116 HydrophobicContact CG2-CG2 3.8Å
87	Y	91.1	Very high	91.7	Very high	6 Å²	6	48.5 Å²	48.5	2%	0.024	27%	0.265	C	S	.	.	H	α-helix	trans	-70	-29.9	-177.7	-61.7	-86.1	0	0	0	111.3	D34 L35 R37 Y38 S41 L43 I84 D85	D34-Y87 WeakPolarHBondContact O-CD1 3.19Å; L35-Y87 HydrophobicContact CD2-CD1 3.85Å; L35-Y87 HydrophobicContact CD2-CE1 3.63Å; L35-Y87 HydrophobicContact CD2-CE2 4.45Å; L35-Y87 HydrophobicContact CD2-CG 4.32Å; R37-Y87 WeakPolarHBondContact CD-O 3.39Å; R37-Y87 PolarHBondContact NH1-O 3.28Å; Y38-Y87 HydrophobicContact CD2-CD1 4.11Å; Y38-Y87 HydrophobicContact CD2-CE1 4.39Å; Y38-Y87 HydrophobicContact CG-CE1 4.46Å; S41-Y87 WeakPolarHBondContact CB-OH 3.38Å; S41-Y87 PolarHBondContact OG-OH 3.31Å; L43-Y87 HydrophobicContact CD1-CE2 3.87Å; I84-Y87 WeakPolarHBondContact O-CD2 3.36Å; I84-Y87 PolarHBondContact O-N 3.09Å; I84-Y87 VanDerWaalsContact O-N 3.11Å; D85-Y87 VanDerWaalsContact C-N 3.29Å; D85-Y87 PolarHBondContact O-N 3.05Å
88	Y	89.2	Confident	91.6	Very high	38 Å²	38	48 Å²	48	15%	0.149	26%	0.26	C	S	.	.	H	α-helix	trans	-90.4	-43.5	-179.1	-62.3	-69.7	0	0	0	112.8	V4 D34 R37 I84 D85 V86	V4-Y88 HydrophobicContact CG1-CE1 4.48Å; V4-Y88 HydrophobicContact CG1-CE2 4.15Å; V4-Y88 VanDerWaalsContact CG1-OH 3.25Å; V4-Y88 WeakPolarHBondContact CG1-OH 3.02Å; D34-Y88 HydrophobicContact CB-CE1 4.44Å; D34-Y88 WeakPolarHBondContact OD2-CE1 3.45Å; R37-Y88 PolarHBondContact NH1-O 3.34Å; I84-Y88 HydrophobicContact CG2-CD2 3.85Å; I84-Y88 HydrophobicContact CG2-CE2 3.36Å; I84-Y88 WeakPolarHBondContact O-CD2 3.47Å; D85-Y88 PolarHBondContact O-N 2.55Å; D85-Y88 VanDerWaalsContact O-N 3.16Å; V86-Y88 VanDerWaalsContact C-N 3.27Å; V86-Y88 PolarHBondContact O-N 3.26Å
89	F	89.9	Confident	91.5	Very high	124 Å²	124	47.8 Å²	47.8	54%	0.544	26%	0.263	S	S	.	.	H	α-helix	trans	-113.1	-8.2	-166.8	-56.5	-67.1	0	0	0	114.7	D85 E91	D85-F89 HydrophobicContact CB-CD2 4.02Å; D85-F89 WeakPolarHBondContact O-CD2 3.02Å; D85-F89 PolarHBondContact O-N 3.35Å; F89-E91 PolarHBondContact O-N 2.96Å
90	D	89.9	Confident	91.5	Very high	69 Å²	69	47.5 Å²	47.5	37%	0.369	26%	0.261	S	S	.	.	S	Bend	trans	65	5	-173	-122.7	17.7	0	0	0	115.3	R37 Y38 V86	R37-D90 IonicContact CZ-OD1 3.56Å; R37-D90 IonicContact CZ-OD2 3.74Å; R37-D90 IonicContact NE-OD1 3.44Å; R37-D90 PolarHBondContact NE-OD1 3.23Å; R37-D90 VanDerWaalsContact NE-OD1 3.08Å; R37-D90 IonicContact NE-OD2 2.77Å; R37-D90 VanDerWaalsContact NH2-CB 3.27Å; R37-D90 IonicContact NH2-OD1 2.8Å; R37-D90 PolarHBondContact NH2-OD1 3.49Å; R37-D90 IonicContact NH2-OD2 3.36Å; R37-D90 PolarHBondContact NH2-OD2 3.11Å; Y38-D90 WeakPolarHBondContact CE2-OD1 3.49Å; Y38-D90 VanDerWaalsContact CZ-OD1 3.31Å; Y38-D90 PolarHBondContact OH-OD1 2.91Å; V86-D90 WeakPolarHBondContact O-CA 3.3Å; V86-D90 PolarHBondContact O-N 2.83Å
91	E	92.2	Very high	91.3	Very high	103 Å²	103	49.5 Å²	49.5	48%	0.481	27%	0.272	S	S	.	.			trans	-138.9	144	-173.8	-66	178.6	159.6	0	0	109.4	F89 V116	F89-E91 PolarHBondContact O-N 2.96Å; E91-V116 WeakPolarHBondContact CA-O 3.28Å
92	I	94.1	Very high	91.4	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	28%	0.278	C	S	.	.	B	Isolated β-bridge	trans	-117.4	129.9	177	-62.8	180	0	0	0	110.1	C82 V86 F103 M107 I112 V116 D118	C82-I92 HydrophobicContact CB-CG2 4.38Å; V86-I92 HydrophobicContact CB-CD1 3.83Å; V86-I92 HydrophobicContact CB-CG1 3.71Å; V86-I92 HydrophobicContact CG2-CD1 4.08Å; V86-I92 HydrophobicContact CG2-CG1 3.98Å; I92-F103 HydrophobicContact CG2-CE1 3.64Å; I92-F103 HydrophobicContact CG2-CZ 3.63Å; I92-M107 HydrophobicContact CD1-CE 4.02Å; I92-I112 HydrophobicContact CD1-CG2 3.97Å; I92-V116 HydrophobicContact CD1-CG2 3.81Å; I92-V116 HydrophobicContact CG1-CG2 4.11Å; I92-V116 PolarHBondContact N-O 2.98Å; I92-D118 PolarHBondContact O-N 3.34Å
93	H	93	Very high	91.5	Very high	86 Å²	86	48.9 Å²	48.9	40%	0.398	28%	0.276	S	S	.	.			trans	-110.5	132.9	166.1	-67.5	-78.1	0	0	0	111.4	K95 D118 C120	H93-K95 PolarHBondContact O-N 3.24Å; H93-D118 WeakPolarHBondContact CE1-CB 3.36Å; H93-D118 IonicContact CE1-OD1 2.81Å; H93-D118 IonicContact CE1-OD2 3.17Å; H93-D118 PolarHBondContact CE1-OD2 3.14Å; H93-D118 IonicContact NE2-OD2 2.76Å; H93-C120 PolarHBondContact ND1-SG 3.46Å
94	I	92.8	Very high	91.4	Very high	19 Å²	19	49.9 Å²	49.9	10%	0.097	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-77.2	120.4	175.2	-53	178.8	0	0	0	108.7	I98 P100 F103 L117 C121	I94-I98 HydrophobicContact CG2-CB 4.12Å; I94-I98 HydrophobicContact CG2-CG2 4.44Å; I94-P100 HydrophobicContact CD1-CB 4.07Å; I94-P100 HydrophobicContact CD1-CG 4.46Å; I94-F103 HydrophobicContact CD1-CD1 3.82Å; I94-F103 HydrophobicContact CD1-CG 4.43Å; I94-F103 HydrophobicContact CG1-CD1 3.59Å; I94-F103 HydrophobicContact CG1-CE1 3.88Å; I94-F103 HydrophobicContact CG1-CG 4.23Å; I94-F103 HydrophobicContact CG2-CB 4.46Å; I94-F103 HydrophobicContact CG2-CG 4.35Å; I94-L117 HydrophobicContact CD1-CD2 3.85Å; I94-L117 HydrophobicContact CG1-CD2 3.79Å; I94-C121 HydrophobicContact CD1-CB 4.16Å; I94-C121 HydrophobicContact CG1-CB 4.01Å; I94-C121 PolarHBondContact N-SG 3Å
95	K	90.9	Very high	91.5	Very high	109 Å²	109	55 Å²	55	47%	0.474	30%	0.303	S	S	.	.	P	Polyproline II helix	trans	-65.4	141.9	176.6	-171.8	179.3	176.8	-170.4	0	111.6	D78 H93 G97 I98	D78-K95 IonicContact OD1-NZ 3.91Å; H93-K95 PolarHBondContact O-N 3.24Å; K95-G97 PolarHBondContact O-N 2.91Å; K95-I98 HydrophobicContact CB-CD1 3.97Å; K95-I98 HydrophobicContact CB-CG1 4.46Å; K95-I98 PolarHBondContact O-N 3.09Å
96	S	87.1	Confident	91.7	Very high	121 Å²	121	53.3 Å²	53.3	85%	0.846	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	130.4	174.6	-179.9	0	0	0	0	111.6
97	G	86.4	Confident	91.8	Very high	76 Å²	76	53.3 Å²	53.3	78%	0.784	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	100.9	-17.1	-179	0	0	0	0	0	114.3	K95	K95-G97 PolarHBondContact O-N 2.91Å
98	I	91.1	Very high	91.9	Very high	21 Å²	21	60 Å²	60	11%	0.108	33%	0.325	C	S	.	.	S	Bend	trans	-84.9	130	173.4	-54.8	179.6	0	0	0	108.9	D78 I94 K95 P100 F103	D78-I98 HydrophobicContact CB-CD1 4.49Å; I94-I98 HydrophobicContact CG2-CB 4.12Å; I94-I98 HydrophobicContact CG2-CG2 4.44Å; K95-I98 HydrophobicContact CB-CD1 3.97Å; K95-I98 HydrophobicContact CB-CG1 4.46Å; K95-I98 PolarHBondContact O-N 3.09Å; I98-P100 WeakPolarHBondContact O-CD 3.16Å; I98-F103 HydrophobicContact CG2-CB 3.96Å; I98-F103 HydrophobicContact CG2-CD2 4.18Å; I98-F103 HydrophobicContact CG2-CG 4.46Å
99	C	90.2	Very high	92.2	Very high	59 Å²	59	60 Å²	60	40%	0.399	33%	0.326	S	S	.	.			trans	-67.5	123.5	174.1	178.2	0	0	0	0	109.9	I101 C102 F103	C99-I101 PolarHBondContact O-N 3.01Å; C99-C102 HydrophobicContact CB-CB 4.07Å; C99-C102 PolarHBondContact O-N 3.24Å; C99-F103 PolarHBondContact O-N 3.24Å
100	P	92.3	Very high	92.4	Very high	1 Å²	1	54.1 Å²	54.1	1%	0.006	30%	0.3	C	S	.	.	H	α-helix	trans	-56.2	-37.9	-179.5	-29.6	37.9	0	0	0	113.4	I94 I98 C102 F103 I104 Y124 L125 K128	I94-P100 HydrophobicContact CD1-CB 4.07Å; I94-P100 HydrophobicContact CD1-CG 4.46Å; I98-P100 WeakPolarHBondContact O-CD 3.16Å; P100-C102 VanDerWaalsContact C-N 3.33Å; P100-C102 PolarHBondContact O-N 3.44Å; P100-F103 PolarHBondContact O-N 2.93Å; P100-I104 WeakPolarHBondContact O-CG1 3.34Å; P100-I104 PolarHBondContact O-N 2.95Å; P100-Y124 HydrophobicContact CB-CD1 4.43Å; P100-Y124 HydrophobicContact CG-CD1 3.31Å; P100-Y124 HydrophobicContact CG-CE1 3.11Å; P100-Y124 HydrophobicContact CG-CE2 4.43Å; P100-Y124 HydrophobicContact CG-CG 4.06Å; P100-L125 HydrophobicContact CB-CB 4.29Å; P100-L125 HydrophobicContact CB-CD1 3.69Å; P100-K128 HydrophobicContact CG-CG 4.07Å
101	I	91.7	Very high	92.7	Very high	45 Å²	45	55.2 Å²	55.2	23%	0.231	30%	0.301	C	S	.	.	H	α-helix	trans	-67.9	-35.7	-178.8	-52.3	-68.4	0	0	0	111.2	C99 L125 K128 E129 L132	C99-I101 PolarHBondContact O-N 3.01Å; I101-L125 HydrophobicContact CD1-CD1 3.84Å; I101-K128 HydrophobicContact CD1-CB 4.41Å; I101-K128 HydrophobicContact CG1-CB 4.36Å; I101-E129 HydrophobicContact CD1-CG 4.01Å; I101-L132 HydrophobicContact CD1-CD1 3.69Å; I101-L132 HydrophobicContact CG1-CD1 3.61Å; I101-L132 HydrophobicContact CG2-CD1 4.29Å
102	C	92.1	Very high	92.8	Very high	71 Å²	71	50.7 Å²	50.7	48%	0.48	28%	0.28	S	S	.	.	H	α-helix	trans	-72.3	-40.2	172.7	-62.4	0	0	0	0	110.7	C99 P100 I104 K105 E106	C99-C102 HydrophobicContact CB-CB 4.07Å; C99-C102 PolarHBondContact O-N 3.24Å; P100-C102 VanDerWaalsContact C-N 3.33Å; P100-C102 PolarHBondContact O-N 3.44Å; C102-I104 VanDerWaalsContact C-N 3.33Å; C102-I104 PolarHBondContact O-N 2.72Å; C102-K105 WeakPolarHBondContact O-CB 3.31Å; C102-K105 PolarHBondContact O-N 3.22Å; C102-K105 VanDerWaalsContact O-N 3.09Å; C102-E106 PolarHBondContact O-N 2.67Å; C102-E106 VanDerWaalsContact O-N 3.14Å
103	F	95	Very high	92.7	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-63.3	-36.9	179.6	-171.5	-103.5	0	0	0	112.9	S79 C82 I83 I92 I94 I98 C99 P100 K105 E106 M107	S79-F103 WeakPolarHBondContact O-CE2 3.43Å; C82-F103 HydrophobicContact CB-CE2 3.68Å; C82-F103 HydrophobicContact CB-CZ 3.65Å; I83-F103 HydrophobicContact CD1-CE2 4.15Å; I83-F103 HydrophobicContact CD1-CZ 3.86Å; I83-F103 HydrophobicContact CG1-CE2 4.17Å; I83-F103 HydrophobicContact CG1-CZ 4.24Å; I92-F103 HydrophobicContact CG2-CE1 3.64Å; I92-F103 HydrophobicContact CG2-CZ 3.63Å; I94-F103 HydrophobicContact CD1-CD1 3.82Å; I94-F103 HydrophobicContact CD1-CG 4.43Å; I94-F103 HydrophobicContact CG1-CD1 3.59Å; I94-F103 HydrophobicContact CG1-CE1 3.88Å; I94-F103 HydrophobicContact CG1-CG 4.23Å; I94-F103 HydrophobicContact CG2-CB 4.46Å; I94-F103 HydrophobicContact CG2-CG 4.35Å; I98-F103 HydrophobicContact CG2-CB 3.96Å; I98-F103 HydrophobicContact CG2-CD2 4.18Å; I98-F103 HydrophobicContact CG2-CG 4.46Å; C99-F103 PolarHBondContact O-N 3.24Å; P100-F103 PolarHBondContact O-N 2.93Å; F103-K105 VanDerWaalsContact C-N 3.25Å; F103-K105 PolarHBondContact O-N 3.49Å; F103-E106 CarbonylContact O-C 3.5Å; F103-E106 WeakPolarHBondContact O-CA 3.45Å; F103-E106 VanDerWaalsContact O-CB 3.26Å; F103-E106 WeakPolarHBondContact O-CB 3.5Å; F103-E106 PolarHBondContact O-N 3.02Å; F103-M107 HydrophobicContact CD1-CG 4.1Å; F103-M107 HydrophobicContact CD1-SD 3.94Å; F103-M107 HydrophobicContact CE1-CG 3.72Å; F103-M107 HydrophobicContact CE1-SD 3.57Å; F103-M107 VanDerWaalsContact CE1-SD 3.57Å; F103-M107 HydrophobicContact CZ-CG 4.21Å; F103-M107 PolarHBondContact O-N 3.18Å
104	I	94.3	Very high	92.6	Very high	22 Å²	22	56.1 Å²	56.1	11%	0.113	31%	0.309	C	S	.	.	H	α-helix	trans	-61.4	-35.4	173.8	-69.4	-66.1	0	0	0	111.9	P100 C102 E106 M107 E108 Q114 L117 L125	P100-I104 WeakPolarHBondContact O-CG1 3.34Å; P100-I104 PolarHBondContact O-N 2.95Å; C102-I104 VanDerWaalsContact C-N 3.33Å; C102-I104 PolarHBondContact O-N 2.72Å; I104-E106 VanDerWaalsContact C-N 3.3Å; I104-E106 PolarHBondContact O-N 2.93Å; I104-M107 HydrophobicContact CD1-SD 4.04Å; I104-M107 PolarHBondContact O-N 3.33Å; I104-E108 WeakPolarHBondContact O-CB 3.3Å; I104-E108 PolarHBondContact O-N 3.4Å; I104-Q114 HydrophobicContact CD1-CG 3.93Å; I104-Q114 VanDerWaalsContact CG2-NE2 3.33Å; I104-L117 HydrophobicContact CD1-CD1 3.58Å; I104-L125 HydrophobicContact CD1-CD2 3.75Å; I104-L125 HydrophobicContact CG1-CD1 3.76Å; I104-L125 HydrophobicContact CG1-CD2 3.82Å; I104-L125 HydrophobicContact CG1-CG 4.45Å
105	K	93.9	Very high	92.5	Very high	126 Å²	126	58.8 Å²	58.8	55%	0.548	33%	0.33	S	S	.	.	H	α-helix	trans	-68.8	-30	172.4	-60.5	177.7	-179.1	-178.4	0	112.3	C102 F103 F109	C102-K105 WeakPolarHBondContact O-CB 3.31Å; C102-K105 PolarHBondContact O-N 3.22Å; C102-K105 VanDerWaalsContact O-N 3.09Å; F103-K105 VanDerWaalsContact C-N 3.25Å; F103-K105 PolarHBondContact O-N 3.49Å; K105-F109 WeakPolarHBondContact O-CB 3.02Å; K105-F109 PolarHBondContact O-N 3.32Å
106	E	94.8	Very high	92.6	Very high	23 Å²	23	54.6 Å²	54.6	11%	0.107	31%	0.313	C	S	.	.	H	α-helix	trans	-65.6	-49	169.7	-63.6	-63.8	126	0	0	110.5	R75 C102 F103 I104 E108 F109 W110	R75-E106 IonicContact CZ-OE1 3.32Å; R75-E106 IonicContact CZ-OE2 3.53Å; R75-E106 IonicContact NE-OE1 3.29Å; R75-E106 IonicContact NE-OE2 2.77Å; R75-E106 IonicContact NH1-OE1 3.87Å; R75-E106 PolarHBondContact NH1-OE1 3.43Å; R75-E106 IonicContact NH1-OE2 3.41Å; R75-E106 PolarHBondContact NH1-OE2 2.79Å; R75-E106 IonicContact NH2-OE1 3.77Å; R75-E106 PolarHBondContact NH2-OE1 3.09Å; R75-E106 VanDerWaalsContact NH2-OE1 3.12Å; C102-E106 PolarHBondContact O-N 2.67Å; C102-E106 VanDerWaalsContact O-N 3.14Å; F103-E106 CarbonylContact O-C 3.5Å; F103-E106 WeakPolarHBondContact O-CA 3.45Å; F103-E106 VanDerWaalsContact O-CB 3.26Å; F103-E106 WeakPolarHBondContact O-CB 3.5Å; F103-E106 PolarHBondContact O-N 3.02Å; I104-E106 VanDerWaalsContact C-N 3.3Å; I104-E106 PolarHBondContact O-N 2.93Å; E106-E108 VanDerWaalsContact C-N 3.34Å; E106-E108 PolarHBondContact O-N 3.21Å; E106-F109 WeakPolarHBondContact O-CB 3.33Å; E106-F109 PolarHBondContact O-N 2.96Å; E106-W110 PolarHBondContact O-N 3.49Å
107	M	94.7	Very high	93	Very high	0 Å²	0	49 Å²	49	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-57.7	-45.4	176.8	-67.9	-177.6	65.7	0	0	112.4	I83 I92 F103 I104 F109 W110 K111 I112 D113 V116 L117	I83-M107 HydrophobicContact CD1-CB 4.35Å; I83-M107 HydrophobicContact CD1-CG 3.63Å; I92-M107 HydrophobicContact CD1-CE 4.02Å; F103-M107 HydrophobicContact CD1-CG 4.1Å; F103-M107 HydrophobicContact CD1-SD 3.94Å; F103-M107 HydrophobicContact CE1-CG 3.72Å; F103-M107 HydrophobicContact CE1-SD 3.57Å; F103-M107 VanDerWaalsContact CE1-SD 3.57Å; F103-M107 HydrophobicContact CZ-CG 4.21Å; F103-M107 PolarHBondContact O-N 3.18Å; I104-M107 HydrophobicContact CD1-SD 4.04Å; I104-M107 PolarHBondContact O-N 3.33Å; M107-F109 PolarHBondContact O-N 2.87Å; M107-W110 CarbonylContact O-C 3.55Å; M107-W110 PolarHBondContact O-N 2.75Å; M107-K111 PolarHBondContact O-N 2.95Å; M107-I112 HydrophobicContact CE-CG2 3.93Å; M107-I112 PolarHBondContact O-N 2.91Å; M107-D113 VanDerWaalsContact CE-O 3.28Å; M107-D113 WeakPolarHBondContact CE-O 3.47Å; M107-V116 HydrophobicContact CE-CG2 3.99Å; M107-L117 HydrophobicContact CE-CD1 3.85Å; M107-L117 HydrophobicContact CE-CG 4.14Å; M107-L117 HydrophobicContact SD-CD1 3.45Å; M107-L117 WeakPolarHBondContact SD-CD1 3.46Å; M107-L117 HydrophobicContact SD-CG 3.93Å
108	E	95.1	Very high	93.3	Very high	146 Å²	146	47.5 Å²	47.5	68%	0.682	25%	0.248	S	C	*	.	H	α-helix	trans	-60.6	-44.7	176.2	-174.9	179.7	-170.8	0	0	111.6	I104 E106 W110 K111	I104-E108 WeakPolarHBondContact O-CB 3.3Å; I104-E108 PolarHBondContact O-N 3.4Å; E106-E108 VanDerWaalsContact C-N 3.34Å; E106-E108 PolarHBondContact O-N 3.21Å; E108-W110 VanDerWaalsContact C-N 3.34Å; E108-W110 PolarHBondContact O-N 3.2Å; E108-K111 PolarHBondContact O-N 3.38Å; E108-K111 VanDerWaalsContact O-N 3.09Å
109	F	94.7	Very high	93.3	Very high	40 Å²	40	53 Å²	53	18%	0.175	27%	0.273	C	S	.	.	H	α-helix	trans	-58.7	-46.6	175.2	174.6	-89.5	0	0	0	111.5	R42 F73 R75 K105 E106 M107 K111	R42-F109 VanDerWaalsContact CZ-CE2 3.46Å; R42-F109 VanDerWaalsContact CZ-CZ 3.49Å; R42-F109 PolarHBondContact NE-O 2.8Å; R42-F109 PolarHBondContact NH2-O 3.46Å; F73-F109 AromaticContact CD1-CE1 3.98Å; F73-F109 HydrophobicContact CD1-CE1 3.98Å; F73-F109 AromaticContact CD1-CZ 3.89Å; F73-F109 HydrophobicContact CD1-CZ 3.89Å; F73-F109 HydrophobicContact CE1-CE1 4.18Å; F73-F109 HydrophobicContact CE1-CZ 4.17Å; R75-F109 VanDerWaalsContact CD-CE1 3.45Å; R75-F109 VanDerWaalsContact CZ-CG 3.48Å; R75-F109 VanDerWaalsContact NH1-CD1 3.31Å; K105-F109 WeakPolarHBondContact O-CB 3.02Å; K105-F109 PolarHBondContact O-N 3.32Å; E106-F109 WeakPolarHBondContact O-CB 3.33Å; E106-F109 PolarHBondContact O-N 2.96Å; M107-F109 PolarHBondContact O-N 2.87Å; F109-K111 PolarHBondContact O-N 3.4Å
110	W	94.9	Very high	93.3	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	0.3	179.2	-64.8	113.3	0	0	0	113.9	I23 R42 L43 F73 F80 I83 E106 M107 E108 I112	I23-W110 HydrophobicContact CD1-CH2 3.74Å; I23-W110 HydrophobicContact CD1-CZ2 4.03Å; R42-W110 HydrophobicContact CB-CE3 4.27Å; R42-W110 HydrophobicContact CG-CE3 4.5Å; R42-W110 PolarHBondContact N-O 3.2Å; L43-W110 HydrophobicContact CD1-CE3 4.46Å; L43-W110 HydrophobicContact CD2-CE3 4.11Å; L43-W110 HydrophobicContact CD2-CH2 4.48Å; L43-W110 HydrophobicContact CD2-CZ3 3.62Å; L43-W110 HydrophobicContact CG-CE3 3.96Å; L43-W110 HydrophobicContact CG-CZ3 4.01Å; F73-W110 HydrophobicContact CB-CH2 4.4Å; F73-W110 AromaticContact CD1-CH2 3.65Å; F73-W110 HydrophobicContact CD1-CH2 3.65Å; F73-W110 HydrophobicContact CD1-CZ2 4.45Å; F73-W110 HydrophobicContact CD1-CZ3 4.18Å; F73-W110 AromaticContact CD2-CH2 3.96Å; F73-W110 HydrophobicContact CD2-CH2 3.96Å; F73-W110 AromaticContact CE1-CH2 3.72Å; F73-W110 HydrophobicContact CE1-CH2 3.72Å; F73-W110 AromaticContact CE1-CZ3 3.78Å; F73-W110 HydrophobicContact CE1-CZ3 3.78Å; F73-W110 HydrophobicContact CE2-CH2 4.04Å; F73-W110 HydrophobicContact CE2-CZ3 4.28Å; F73-W110 AromaticContact CG-CH2 3.74Å; F73-W110 HydrophobicContact CG-CH2 3.74Å; F73-W110 AromaticContact CZ-CH2 3.91Å; F73-W110 HydrophobicContact CZ-CH2 3.91Å; F73-W110 AromaticContact CZ-CZ3 3.82Å; F73-W110 HydrophobicContact CZ-CZ3 3.82Å; F80-W110 HydrophobicContact CD2-CD2 4.27Å; F80-W110 AromaticContact CD2-CE2 3.57Å; F80-W110 AromaticContact CD2-CH2 4Å; F80-W110 HydrophobicContact CD2-CH2 4Å; F80-W110 AromaticContact CD2-CZ2 3.43Å; F80-W110 HydrophobicContact CD2-CZ2 3.43Å; F80-W110 VanDerWaalsContact CD2-CZ2 3.43Å; F80-W110 AromaticContact CD2-NE1 3.9Å; F80-W110 HydrophobicContact CE2-CD2 4.15Å; F80-W110 AromaticContact CE2-CE2 3.82Å; F80-W110 HydrophobicContact CE2-CE3 4.2Å; F80-W110 AromaticContact CE2-CH2 3.66Å; F80-W110 HydrophobicContact CE2-CH2 3.66Å; F80-W110 AromaticContact CE2-CZ2 3.58Å; F80-W110 HydrophobicContact CE2-CZ2 3.58Å; F80-W110 AromaticContact CE2-CZ3 3.97Å; F80-W110 HydrophobicContact CE2-CZ3 3.97Å; F80-W110 HydrophobicContact CG-CZ2 4.46Å; I83-W110 HydrophobicContact CG1-CG 4.46Å; I83-W110 HydrophobicContact CG2-CB 4.05Å; I83-W110 HydrophobicContact CG2-CD2 4.42Å; I83-W110 HydrophobicContact CG2-CG 3.84Å; E106-W110 PolarHBondContact O-N 3.49Å; M107-W110 CarbonylContact O-C 3.55Å; M107-W110 PolarHBondContact O-N 2.75Å; E108-W110 VanDerWaalsContact C-N 3.34Å; E108-W110 PolarHBondContact O-N 3.2Å; W110-I112 VanDerWaalsContact C-N 3.33Å; W110-I112 HydrophobicContact CB-CD1 3.97Å; W110-I112 HydrophobicContact CB-CG1 4.39Å
111	K	94.4	Very high	93.3	Very high	92 Å²	92	53.9 Å²	53.9	40%	0.4	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.9	41.5	-177.7	-58.4	177	171.1	179.5	0	112.8	E40 R42 E45 M107 E108 F109	E40-K111 WeakPolarHBondContact O-CB 3.27Å; R42-K111 HydrophobicContact CB-CD 4.44Å; R42-K111 HydrophobicContact CB-CG 4.48Å; E45-K111 IonicContact OE1-NZ 3.82Å; E45-K111 PolarHBondContact OE1-NZ 2.93Å; E45-K111 IonicContact OE2-NZ 3.82Å; E45-K111 PolarHBondContact OE2-NZ 2.96Å; M107-K111 PolarHBondContact O-N 2.95Å; E108-K111 PolarHBondContact O-N 3.38Å; E108-K111 VanDerWaalsContact O-N 3.09Å; F109-K111 PolarHBondContact O-N 3.4Å
112	I	94.8	Very high	93.4	Very high	8 Å²	8	55.5 Å²	55.5	4%	0.041	28%	0.284	C	S	.	.			trans	-107.2	126.8	176	-65.2	161.3	0	0	0	108.7	I83 V86 I92 M107 W110 V116	I83-I112 HydrophobicContact CD1-CD1 4.27Å; I83-I112 HydrophobicContact CG2-CD1 3.51Å; V86-I112 HydrophobicContact CG1-CD1 3.93Å; V86-I112 HydrophobicContact CG2-CG2 4.41Å; I92-I112 HydrophobicContact CD1-CG2 3.97Å; M107-I112 HydrophobicContact CE-CG2 3.93Å; M107-I112 PolarHBondContact O-N 2.91Å; W110-I112 VanDerWaalsContact C-N 3.33Å; W110-I112 HydrophobicContact CB-CD1 3.97Å; W110-I112 HydrophobicContact CB-CG1 4.39Å; I112-V116 HydrophobicContact CG2-CG2 3.54Å
113	D	92.1	Very high	93.3	Very high	107 Å²	107	55.8 Å²	55.8	57%	0.572	29%	0.287	S	S	*	.			trans	-68.6	147.7	-178.6	-173.5	-101.7	0	0	0	112.1	M107 S115 V116	M107-D113 VanDerWaalsContact CE-O 3.28Å; M107-D113 WeakPolarHBondContact CE-O 3.47Å; D113-S115 PolarHBondContact O-N 3.29Å; D113-S115 WeakPolarHBondContact OD1-CA 3.26Å; D113-S115 WeakPolarHBondContact OD1-CB 3.37Å; D113-S115 PolarHBondContact OD1-N 3.49Å; D113-S115 PolarHBondContact OD1-OG 3.42Å; D113-V116 WeakPolarHBondContact O-CG2 3.42Å
114	Q	92.1	Very high	93	Very high	93 Å²	93	60 Å²	60	44%	0.435	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-71.5	-12.5	-178	-60.3	179.2	21	0	0	113.2	I104 V116 L117	I104-Q114 HydrophobicContact CD1-CG 3.93Å; I104-Q114 VanDerWaalsContact CG2-NE2 3.33Å; Q114-V116 PolarHBondContact O-N 2.89Å; Q114-L117 HydrophobicContact CB-CD1 4.37Å; Q114-L117 WeakPolarHBondContact O-CB 3.47Å; Q114-L117 PolarHBondContact O-N 3.39Å
115	S	90.7	Very high	92.9	Very high	75 Å²	75	59.6 Å²	59.6	52%	0.524	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-60.6	-29.9	178.1	56.9	0	0	0	0	113.4	D113 L117 K122	D113-S115 PolarHBondContact O-N 3.29Å; D113-S115 WeakPolarHBondContact OD1-CA 3.26Å; D113-S115 WeakPolarHBondContact OD1-CB 3.37Å; D113-S115 PolarHBondContact OD1-N 3.49Å; D113-S115 PolarHBondContact OD1-OG 3.42Å; S115-L117 PolarHBondContact O-N 3.17Å; S115-K122 PolarHBondContact O-NZ 2.91Å
116	V	92.9	Very high	92.8	Very high	21 Å²	21	56.2 Å²	56.2	13%	0.127	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-75.7	-6.7	179.6	-58.9	0	0	0	0	114.1	Y38 V86 E91 I92 M107 I112 D113 Q114 D118	Y38-V116 HydrophobicContact CE1-CG1 4.02Å; V86-V116 HydrophobicContact CG2-CB 3.99Å; V86-V116 HydrophobicContact CG2-CG1 4.12Å; V86-V116 HydrophobicContact CG2-CG2 3.8Å; E91-V116 WeakPolarHBondContact CA-O 3.28Å; I92-V116 HydrophobicContact CD1-CG2 3.81Å; I92-V116 HydrophobicContact CG1-CG2 4.11Å; I92-V116 PolarHBondContact N-O 2.98Å; M107-V116 HydrophobicContact CE-CG2 3.99Å; I112-V116 HydrophobicContact CG2-CG2 3.54Å; D113-V116 WeakPolarHBondContact O-CG2 3.42Å; Q114-V116 PolarHBondContact O-N 2.89Å; V116-D118 PolarHBondContact O-N 3.2Å
117	L	93.9	Very high	92.5	Very high	3 Å²	3	59.2 Å²	59.2	2%	0.016	31%	0.308	C	S	.	.	B	Isolated β-bridge	trans	-67.1	132.3	171	-91.3	145.4	0	0	0	110	I94 I104 M107 Q114 S115 C121 K122	I94-L117 HydrophobicContact CD1-CD2 3.85Å; I94-L117 HydrophobicContact CG1-CD2 3.79Å; I104-L117 HydrophobicContact CD1-CD1 3.58Å; M107-L117 HydrophobicContact CE-CD1 3.85Å; M107-L117 HydrophobicContact CE-CG 4.14Å; M107-L117 HydrophobicContact SD-CD1 3.45Å; M107-L117 WeakPolarHBondContact SD-CD1 3.46Å; M107-L117 HydrophobicContact SD-CG 3.93Å; Q114-L117 HydrophobicContact CB-CD1 4.37Å; Q114-L117 WeakPolarHBondContact O-CB 3.47Å; Q114-L117 PolarHBondContact O-N 3.39Å; S115-L117 PolarHBondContact O-N 3.17Å; L117-C121 HydrophobicContact CD2-CB 3.38Å; L117-K122 HydrophobicContact CB-CG 4Å; L117-K122 WeakPolarHBondContact O-CD 3.4Å; L117-K122 WeakPolarHBondContact O-CE 3.34Å; L117-K122 PolarHBondContact O-NZ 3.27Å
118	D	93.5	Very high	92.2	Very high	45 Å²	45	61.9 Å²	61.9	24%	0.241	32%	0.319	C	S	.	.			trans	-63.4	152.2	172.4	-173.2	-79.7	0	0	0	111.4	I92 H93 V116 C120 C121 K122	I92-D118 PolarHBondContact O-N 3.34Å; H93-D118 WeakPolarHBondContact CE1-CB 3.36Å; H93-D118 IonicContact CE1-OD1 2.81Å; H93-D118 IonicContact CE1-OD2 3.17Å; H93-D118 PolarHBondContact CE1-OD2 3.14Å; H93-D118 IonicContact NE2-OD2 2.76Å; V116-D118 PolarHBondContact O-N 3.2Å; D118-C120 PolarHBondContact O-N 2.68Å; D118-C120 PolarHBondContact OD1-N 3.12Å; D118-C120 PolarHBondContact OD1-SG 2.84Å; D118-C121 PolarHBondContact O-N 2.92Å; D118-K122 PolarHBondContact O-N 3.05Å
119	E	91.5	Very high	92	Very high	136 Å²	136	58.5 Å²	58.5	64%	0.636	30%	0.303	S	S	*	.	H	α-helix	trans	-54.6	-35.9	-179.5	-162.2	62.4	-159.3	0	0	113.2	C121 K122 S123	E119-C121 VanDerWaalsContact C-N 3.29Å; E119-C121 PolarHBondContact O-N 3.09Å; E119-K122 PolarHBondContact O-N 3.34Å; E119-S123 PolarHBondContact O-N 3.19Å
120	C	89.8	Confident	91.7	Very high	71 Å²	71	62.1 Å²	62.1	48%	0.48	32%	0.321	S	S	.	.	H	α-helix	trans	-63.6	-36.1	176.9	67.7	0	0	0	0	112.2	H93 D118 Y124	H93-C120 PolarHBondContact ND1-SG 3.46Å; D118-C120 PolarHBondContact O-N 2.68Å; D118-C120 PolarHBondContact OD1-N 3.12Å; D118-C120 PolarHBondContact OD1-SG 2.84Å; C120-Y124 PolarHBondContact O-N 3.39Å; C120-Y124 VanDerWaalsContact O-N 3.17Å
121	C	92.5	Very high	91.3	Very high	8 Å²	8	63.8 Å²	63.8	5%	0.054	33%	0.329	C	S	.	.	H	α-helix	trans	-82.5	-32.7	179.7	-64.5	0	0	0	0	111.8	I94 L117 D118 E119 S123 Y124 L125	I94-C121 HydrophobicContact CD1-CB 4.16Å; I94-C121 HydrophobicContact CG1-CB 4.01Å; I94-C121 PolarHBondContact N-SG 3Å; L117-C121 HydrophobicContact CD2-CB 3.38Å; D118-C121 PolarHBondContact O-N 2.92Å; E119-C121 VanDerWaalsContact C-N 3.29Å; E119-C121 PolarHBondContact O-N 3.09Å; C121-S123 VanDerWaalsContact C-N 3.35Å; C121-Y124 PolarHBondContact O-N 2.87Å; C121-L125 WeakPolarHBondContact O-CB 3.41Å; C121-L125 PolarHBondContact O-N 2.93Å
122	K	92.8	Very high	91	Very high	78 Å²	78	63.4 Å²	63.4	34%	0.339	33%	0.331	S	S	.	.	H	α-helix	trans	-58.9	-45.5	168.5	-73.5	172	171.1	143	0	111.2	S115 L117 D118 E119 Y124 L125 S126	S115-K122 PolarHBondContact O-NZ 2.91Å; L117-K122 HydrophobicContact CB-CG 4Å; L117-K122 WeakPolarHBondContact O-CD 3.4Å; L117-K122 WeakPolarHBondContact O-CE 3.34Å; L117-K122 PolarHBondContact O-NZ 3.27Å; D118-K122 PolarHBondContact O-N 3.05Å; E119-K122 PolarHBondContact O-N 3.34Å; K122-Y124 PolarHBondContact O-N 3.49Å; K122-L125 PolarHBondContact O-N 3.38Å; K122-S126 WeakPolarHBondContact O-CB 3.46Å; K122-S126 PolarHBondContact O-N 3.19Å
123	S	90.7	Very high	90.7	Very high	77 Å²	77	68.8 Å²	68.8	54%	0.538	35%	0.354	S	S	.	.	H	α-helix	trans	-62	-43.1	174.7	-175.7	0	0	0	0	111.9	E119 C121 S126 E127	E119-S123 PolarHBondContact O-N 3.19Å; C121-S123 VanDerWaalsContact C-N 3.35Å; S123-S126 PolarHBondContact O-N 3.35Å; S123-E127 PolarHBondContact O-N 3.28Å
124	Y	89.8	Confident	90.4	Very high	90 Å²	90	66.4 Å²	66.4	35%	0.353	34%	0.339	S	S	.	.	H	α-helix	trans	-64.8	-39.5	178.8	-177.6	-135.2	0	0	0	112.5	P100 C120 C121 K122 K128	P100-Y124 HydrophobicContact CB-CD1 4.43Å; P100-Y124 HydrophobicContact CG-CD1 3.31Å; P100-Y124 HydrophobicContact CG-CE1 3.11Å; P100-Y124 HydrophobicContact CG-CE2 4.43Å; P100-Y124 HydrophobicContact CG-CG 4.06Å; C120-Y124 PolarHBondContact O-N 3.39Å; C120-Y124 VanDerWaalsContact O-N 3.17Å; C121-Y124 PolarHBondContact O-N 2.87Å; K122-Y124 PolarHBondContact O-N 3.49Å; Y124-K128 HydrophobicContact CE2-CG 4.33Å; Y124-K128 PolarHBondContact O-N 3.46Å
125	L	91.4	Very high	90.2	Very high	13 Å²	13	63.1 Å²	63.1	7%	0.068	33%	0.325	C	S	.	.	H	α-helix	trans	-62.8	-49.5	173.3	178.1	66.4	0	0	0	111.4	P100 I101 I104 C121 K122 E127 K128 E129	P100-L125 HydrophobicContact CB-CB 4.29Å; P100-L125 HydrophobicContact CB-CD1 3.69Å; I101-L125 HydrophobicContact CD1-CD1 3.84Å; I104-L125 HydrophobicContact CD1-CD2 3.75Å; I104-L125 HydrophobicContact CG1-CD1 3.76Å; I104-L125 HydrophobicContact CG1-CD2 3.82Å; I104-L125 HydrophobicContact CG1-CG 4.45Å; C121-L125 WeakPolarHBondContact O-CB 3.41Å; C121-L125 PolarHBondContact O-N 2.93Å; K122-L125 PolarHBondContact O-N 3.38Å; L125-E127 VanDerWaalsContact C-N 3.29Å; L125-E127 PolarHBondContact O-N 3.33Å; L125-K128 PolarHBondContact O-N 3.05Å; L125-E129 PolarHBondContact O-N 3.43Å
126	S	91.2	Very high	90	Very high	54 Å²	54	62 Å²	62	38%	0.378	32%	0.32	S	S	.	.	H	α-helix	trans	-57.2	-42.1	179.5	-174.4	0	0	0	0	111.9	K122 S123 K128 E129 E130	K122-S126 WeakPolarHBondContact O-CB 3.46Å; K122-S126 PolarHBondContact O-N 3.19Å; S123-S126 PolarHBondContact O-N 3.35Å; S126-K128 VanDerWaalsContact C-N 3.32Å; S126-K128 PolarHBondContact O-N 3.33Å; S126-E129 PolarHBondContact O-N 2.97Å; S126-E130 WeakPolarHBondContact O-CG 3.45Å; S126-E130 PolarHBondContact O-N 3.43Å
127	E	88.3	Confident	89.6	Confident	87 Å²	87	66.1 Å²	66.1	41%	0.407	34%	0.341	S	S	.	.	H	α-helix	trans	-60.8	-42	176	-175.1	179	-175.6	0	0	111.7	S123 L125 E130 E131 K410	S123-E127 PolarHBondContact O-N 3.28Å; L125-E127 VanDerWaalsContact C-N 3.29Å; L125-E127 PolarHBondContact O-N 3.33Å; E127-E130 PolarHBondContact O-N 3.32Å; E127-E131 WeakPolarHBondContact O-CG 3.44Å; E127-E131 PolarHBondContact O-N 2.89Å; E127-K410 IonicContact OE1-NZ 3.1Å; E127-K410 PolarHBondContact OE1-NZ 3.04Å
128	K	90	Very high	89.1	Confident	56 Å²	56	68 Å²	68	24%	0.243	35%	0.349	C	S	.	.	H	α-helix	trans	-70.3	-34.5	178.2	-70	-65.4	169.2	-161.7	0	113.2	P100 I101 Y124 L125 S126 E131 L132	P100-K128 HydrophobicContact CG-CG 4.07Å; I101-K128 HydrophobicContact CD1-CB 4.41Å; I101-K128 HydrophobicContact CG1-CB 4.36Å; Y124-K128 HydrophobicContact CE2-CG 4.33Å; Y124-K128 PolarHBondContact O-N 3.46Å; L125-K128 PolarHBondContact O-N 3.05Å; S126-K128 VanDerWaalsContact C-N 3.32Å; S126-K128 PolarHBondContact O-N 3.33Å; K128-E131 WeakPolarHBondContact CD-OE2 3.34Å; K128-E131 IonicContact NZ-OE1 2.65Å; K128-E131 PolarHBondContact NZ-OE1 3.38Å; K128-E131 IonicContact NZ-OE2 3.35Å; K128-E131 PolarHBondContact NZ-OE2 3Å; K128-E131 PolarHBondContact O-N 2.99Å; K128-L132 PolarHBondContact O-N 3.02Å
129	E	90.5	Very high	88.7	Confident	74 Å²	74	66.1 Å²	66.1	35%	0.346	34%	0.339	S	S	.	.	H	α-helix	trans	-65.4	-40.7	171.7	-71.7	-169.2	174.1	0	0	112.4	I101 L125 S126 E131 L132 K133	I101-E129 HydrophobicContact CD1-CG 4.01Å; L125-E129 PolarHBondContact O-N 3.43Å; S126-E129 PolarHBondContact O-N 2.97Å; E129-E131 VanDerWaalsContact C-N 3.35Å; E129-L132 PolarHBondContact O-N 2.71Å; E129-K133 WeakPolarHBondContact O-CB 3.35Å; E129-K133 VanDerWaalsContact O-CG 3.22Å; E129-K133 WeakPolarHBondContact O-CG 3.46Å; E129-K133 PolarHBondContact O-N 3.31Å; E129-K133 IonicContact OE2-NZ 3.46Å; E129-K133 PolarHBondContact OE2-NZ 3.49Å
130	E	88.1	Confident	88.4	Confident	117 Å²	117	65.3 Å²	65.3	55%	0.547	33%	0.334	S	S	.	.	H	α-helix	trans	-62	-43.3	174.3	-75.2	-177.1	-177.4	0	0	111.5	S126 E127 L132 K133 E134	S126-E130 WeakPolarHBondContact O-CG 3.45Å; S126-E130 PolarHBondContact O-N 3.43Å; E127-E130 PolarHBondContact O-N 3.32Å; E130-L132 PolarHBondContact O-N 2.86Å; E130-K133 PolarHBondContact O-N 2.85Å; E130-E134 WeakPolarHBondContact O-CB 3.22Å; E130-E134 PolarHBondContact O-N 2.89Å
131	E	87.4	Confident	87.9	Confident	34 Å²	34	64.3 Å²	64.3	16%	0.159	33%	0.33	C	S	.	.	H	α-helix	trans	-57.7	-47.8	173.8	-75.8	177.7	-173.6	0	0	111.8	E127 K128 E129 E134 I135 K410 L414	E127-E131 WeakPolarHBondContact O-CG 3.44Å; E127-E131 PolarHBondContact O-N 2.89Å; K128-E131 WeakPolarHBondContact CD-OE2 3.34Å; K128-E131 IonicContact NZ-OE1 2.65Å; K128-E131 PolarHBondContact NZ-OE1 3.38Å; K128-E131 IonicContact NZ-OE2 3.35Å; K128-E131 PolarHBondContact NZ-OE2 3Å; K128-E131 PolarHBondContact O-N 2.99Å; E129-E131 VanDerWaalsContact C-N 3.35Å; E131-E134 PolarHBondContact O-N 2.91Å; E131-I135 WeakPolarHBondContact O-CG1 3.39Å; E131-I135 PolarHBondContact O-N 3.48Å; E131-K410 VanDerWaalsContact CG-CE 3.43Å; E131-K410 WeakPolarHBondContact OE1-CE 3.29Å; E131-K410 IonicContact OE1-NZ 3.08Å; E131-K410 PolarHBondContact OE1-NZ 2.84Å; E131-L414 HydrophobicContact CB-CD2 4.33Å
132	L	87.1	Confident	87.2	Confident	85 Å²	85	66.7 Å²	66.7	45%	0.445	34%	0.342	S	S	.	.	H	α-helix	trans	-63.5	-42.2	177.5	-80.9	165.2	0	0	0	112.5	I101 K128 E129 E130 E134 I135 A136	I101-L132 HydrophobicContact CD1-CD1 3.69Å; I101-L132 HydrophobicContact CG1-CD1 3.61Å; I101-L132 HydrophobicContact CG2-CD1 4.29Å; K128-L132 PolarHBondContact O-N 3.02Å; E129-L132 PolarHBondContact O-N 2.71Å; E130-L132 PolarHBondContact O-N 2.86Å; L132-E134 VanDerWaalsContact C-N 3.27Å; L132-E134 PolarHBondContact O-N 3.36Å; L132-I135 PolarHBondContact O-N 2.85Å; L132-A136 WeakPolarHBondContact O-CB 3.49Å; L132-A136 PolarHBondContact O-N 3.42Å
133	K	88.8	Confident	86.4	Confident	120 Å²	120	65.9 Å²	65.9	52%	0.522	34%	0.341	S	S	.	.	H	α-helix	trans	-60.6	-39.2	174.5	-73.9	165.8	-170.2	158.9	0	110.6	E129 E130 N137	E129-K133 WeakPolarHBondContact O-CB 3.35Å; E129-K133 VanDerWaalsContact O-CG 3.22Å; E129-K133 WeakPolarHBondContact O-CG 3.46Å; E129-K133 PolarHBondContact O-N 3.31Å; E129-K133 IonicContact OE2-NZ 3.46Å; E129-K133 PolarHBondContact OE2-NZ 3.49Å; E130-K133 PolarHBondContact O-N 2.85Å; K133-N137 WeakPolarHBondContact O-CB 3.44Å; K133-N137 PolarHBondContact O-N 3.03Å; K133-N137 PolarHBondContact O-ND2 3.23Å; K133-N137 VanDerWaalsContact O-ND2 3.07Å
134	E	86.4	Confident	85.5	Confident	57 Å²	57	67 Å²	67	27%	0.266	34%	0.338	S	S	.	.	H	α-helix	trans	-67.9	-43.5	176.4	-163.1	-176.2	154.3	0	0	112.3	E130 E131 L132 N137 K138 L414	E130-E134 WeakPolarHBondContact O-CB 3.22Å; E130-E134 PolarHBondContact O-N 2.89Å; E131-E134 PolarHBondContact O-N 2.91Å; L132-E134 VanDerWaalsContact C-N 3.27Å; L132-E134 PolarHBondContact O-N 3.36Å; E134-N137 PolarHBondContact O-N 3.45Å; E134-K138 WeakPolarHBondContact O-CG 3.04Å; E134-K138 PolarHBondContact O-N 3.33Å; E134-K138 VanDerWaalsContact OE1-CE 3.26Å; E134-K138 WeakPolarHBondContact OE1-CE 3.33Å; E134-K138 IonicContact OE1-NZ 2.69Å; E134-K138 PolarHBondContact OE1-NZ 3.49Å; E134-L414 HydrophobicContact CG-CD1 4.5Å; E134-L414 WeakPolarHBondContact OE2-CD1 3.06Å
135	I	86.7	Confident	84.5	Confident	25 Å²	25	65.4 Å²	65.4	13%	0.128	34%	0.335	C	S	.	.	H	α-helix	trans	-58.4	-51.2	173.6	-65.2	166.4	0	0	0	109.7	E131 L132 N137 K138 V139 L414 A417 A418 E421	E131-I135 WeakPolarHBondContact O-CG1 3.39Å; E131-I135 PolarHBondContact O-N 3.48Å; L132-I135 PolarHBondContact O-N 2.85Å; I135-N137 VanDerWaalsContact C-N 3.29Å; I135-N137 PolarHBondContact O-N 3.44Å; I135-K138 CarbonylContact O-C 3.51Å; I135-K138 WeakPolarHBondContact O-CA 3.35Å; I135-K138 WeakPolarHBondContact O-CB 3.37Å; I135-K138 PolarHBondContact O-N 2.95Å; I135-V139 HydrophobicContact CG2-CG2 4.12Å; I135-V139 WeakPolarHBondContact O-CG2 3.48Å; I135-V139 PolarHBondContact O-N 2.9Å; I135-L414 HydrophobicContact CD1-CD2 3.91Å; I135-L414 HydrophobicContact CG1-CD2 3.49Å; I135-L414 VanDerWaalsContact CG1-CD2 3.49Å; I135-A417 HydrophobicContact CD1-CB 3.97Å; I135-A417 HydrophobicContact CG1-CB 4.33Å; I135-A418 HydrophobicContact CG2-CB 4.4Å; I135-E421 VanDerWaalsContact CG2-OE2 3.28Å; I135-E421 WeakPolarHBondContact CG2-OE2 3.35Å
136	A	86.1	Confident	83.4	Confident	51 Å²	51	68.1 Å²	68.1	42%	0.421	35%	0.349	S	S	.	.	H	α-helix	trans	-58.4	-40.2	179.4	0	0	0	0	0	112.1	L132 V139 K140	L132-A136 WeakPolarHBondContact O-CB 3.49Å; L132-A136 PolarHBondContact O-N 3.42Å; A136-V139 PolarHBondContact O-N 3.48Å; A136-K140 WeakPolarHBondContact O-CB 3.38Å; A136-K140 PolarHBondContact O-N 3.46Å
137	N	85.4	Confident	81.9	Confident	108 Å²	108	70.8 Å²	70.8	58%	0.578	36%	0.359	S	S	*	.	H	α-helix	trans	-65.6	-40.4	174.6	-75.6	-32.8	0	0	0	112.5	K133 E134 I135 A141	K133-N137 WeakPolarHBondContact O-CB 3.44Å; K133-N137 PolarHBondContact O-N 3.03Å; K133-N137 PolarHBondContact O-ND2 3.23Å; K133-N137 VanDerWaalsContact O-ND2 3.07Å; E134-N137 PolarHBondContact O-N 3.45Å; I135-N137 VanDerWaalsContact C-N 3.29Å; I135-N137 PolarHBondContact O-N 3.44Å; N137-A141 WeakPolarHBondContact O-CB 3.4Å; N137-A141 PolarHBondContact O-N 2.94Å
138	K	83	Confident	80.2	Confident	43 Å²	43	70.4 Å²	70.4	19%	0.187	36%	0.363	C	S	.	.	H	α-helix	trans	-65.2	-45.6	174.8	-75	177.4	-179.9	170.7	0	111.2	E134 I135 A141 I142 Q411 L414 A418	E134-K138 WeakPolarHBondContact O-CG 3.04Å; E134-K138 PolarHBondContact O-N 3.33Å; E134-K138 VanDerWaalsContact OE1-CE 3.26Å; E134-K138 WeakPolarHBondContact OE1-CE 3.33Å; E134-K138 IonicContact OE1-NZ 2.69Å; E134-K138 PolarHBondContact OE1-NZ 3.49Å; I135-K138 CarbonylContact O-C 3.51Å; I135-K138 WeakPolarHBondContact O-CA 3.35Å; I135-K138 WeakPolarHBondContact O-CB 3.37Å; I135-K138 PolarHBondContact O-N 2.95Å; K138-A141 WeakPolarHBondContact O-CB 3.48Å; K138-A141 PolarHBondContact O-N 3.07Å; K138-I142 VanDerWaalsContact O-CG1 3.28Å; K138-I142 WeakPolarHBondContact O-CG1 3.38Å; K138-I142 PolarHBondContact O-N 3.49Å; K138-Q411 VanDerWaalsContact NZ-NE2 3.13Å; K138-Q411 VanDerWaalsContact NZ-OE1 3.14Å; K138-L414 HydrophobicContact CD-CB 4.49Å; K138-A418 HydrophobicContact CB-CB 3.81Å
139	V	85.8	Confident	78.5	Confident	4 Å²	4	71.4 Å²	71.4	2%	0.024	37%	0.371	C	S	.	.	H	α-helix	trans	-60.7	-48.2	175.8	171.2	0	0	0	0	110.5	I135 A136 A141 I142 L143 A418 E421 V422 M425	I135-V139 HydrophobicContact CG2-CG2 4.12Å; I135-V139 WeakPolarHBondContact O-CG2 3.48Å; I135-V139 PolarHBondContact O-N 2.9Å; A136-V139 PolarHBondContact O-N 3.48Å; V139-A141 VanDerWaalsContact C-N 3.3Å; V139-A141 PolarHBondContact O-N 2.98Å; V139-I142 CarbonylContact O-C 3.59Å; V139-I142 WeakPolarHBondContact O-CB 3.43Å; V139-I142 PolarHBondContact O-N 3.22Å; V139-L143 HydrophobicContact CG1-CD1 3.7Å; V139-L143 HydrophobicContact CG1-CG 4.12Å; V139-L143 WeakPolarHBondContact O-CB 3.37Å; V139-L143 WeakPolarHBondContact O-CG 3.34Å; V139-L143 PolarHBondContact O-N 3.2Å; V139-A418 HydrophobicContact CG2-CB 3.82Å; V139-E421 HydrophobicContact CG1-CG 4.46Å; V139-E421 HydrophobicContact CG2-CB 3.96Å; V139-E421 HydrophobicContact CG2-CG 4.1Å; V139-V422 HydrophobicContact CG1-CG2 4Å; V139-V422 HydrophobicContact CG2-CG2 4.42Å; V139-M425 HydrophobicContact CG1-CE 4.13Å; V139-M425 HydrophobicContact CG1-SD 4.35Å
140	K	83.9	Confident	76.8	Confident	120 Å²	120	75.8 Å²	75.8	52%	0.522	39%	0.391	S	S	.	.	H	α-helix	trans	-56.9	-44	175.1	179.7	174.6	173.8	175.3	0	111.6	A136 I142 L143 E144	A136-K140 WeakPolarHBondContact O-CB 3.38Å; A136-K140 PolarHBondContact O-N 3.46Å; K140-I142 VanDerWaalsContact C-N 3.32Å; K140-I142 PolarHBondContact O-N 3.25Å; K140-L143 PolarHBondContact O-N 3.5Å; K140-E144 WeakPolarHBondContact CE-OE1 3.37Å; K140-E144 HydrophobicContact CG-CG 4.29Å; K140-E144 IonicContact NZ-OE1 2.66Å; K140-E144 WeakPolarHBondContact O-CB 3.1Å; K140-E144 VanDerWaalsContact O-CG 3.31Å; K140-E144 WeakPolarHBondContact O-CG 3.43Å; K140-E144 PolarHBondContact O-N 3.28Å
141	A	79.4	Confident	75.2	Confident	49 Å²	49	76 Å²	76	41%	0.405	40%	0.404	S	S	.	.	H	α-helix	trans	-62.1	-39.2	176	0	0	0	0	0	112.3	N137 K138 V139 D145	N137-A141 WeakPolarHBondContact O-CB 3.4Å; N137-A141 PolarHBondContact O-N 2.94Å; K138-A141 WeakPolarHBondContact O-CB 3.48Å; K138-A141 PolarHBondContact O-N 3.07Å; V139-A141 VanDerWaalsContact C-N 3.3Å; V139-A141 PolarHBondContact O-N 2.98Å; A141-D145 WeakPolarHBondContact O-CB 3.44Å; A141-D145 PolarHBondContact O-N 3.5Å; A141-D145 VanDerWaalsContact O-N 3.15Å
142	I	78	Confident	74	Confident	58 Å²	58	76.9 Å²	76.9	30%	0.297	41%	0.409	S	S	.	.	H	α-helix	trans	-68	-42.9	175.6	-64.2	162	0	0	0	111.1	K138 V139 K140 D145 L146 A418 V422	K138-I142 VanDerWaalsContact O-CG1 3.28Å; K138-I142 WeakPolarHBondContact O-CG1 3.38Å; K138-I142 PolarHBondContact O-N 3.49Å; V139-I142 CarbonylContact O-C 3.59Å; V139-I142 WeakPolarHBondContact O-CB 3.43Å; V139-I142 PolarHBondContact O-N 3.22Å; K140-I142 VanDerWaalsContact C-N 3.32Å; K140-I142 PolarHBondContact O-N 3.25Å; I142-D145 CarbonylContact O-C 3.59Å; I142-D145 WeakPolarHBondContact O-CA 3.48Å; I142-D145 VanDerWaalsContact O-CB 3.25Å; I142-D145 WeakPolarHBondContact O-CB 3.41Å; I142-D145 PolarHBondContact O-N 3.41Å; I142-L146 HydrophobicContact CG2-CD1 4.15Å; I142-L146 WeakPolarHBondContact O-CG 3.2Å; I142-L146 PolarHBondContact O-N 2.81Å; I142-L146 VanDerWaalsContact O-N 3.13Å; I142-A418 HydrophobicContact CD1-CB 4.28Å; I142-V422 HydrophobicContact CB-CG2 4.19Å; I142-V422 HydrophobicContact CD1-CG2 4.35Å; I142-V422 HydrophobicContact CG2-CG1 4.25Å; I142-V422 HydrophobicContact CG2-CG2 3.87Å
143	L	76.1	Confident	73.3	Confident	62 Å²	62	76.7 Å²	76.7	33%	0.325	41%	0.412	S	S	.	.	H	α-helix	trans	-69.1	-42.1	179.4	-70.5	174.4	0	0	0	111.9	V139 K140 D145 L146 D147 M425	V139-L143 HydrophobicContact CG1-CD1 3.7Å; V139-L143 HydrophobicContact CG1-CG 4.12Å; V139-L143 WeakPolarHBondContact O-CB 3.37Å; V139-L143 WeakPolarHBondContact O-CG 3.34Å; V139-L143 PolarHBondContact O-N 3.2Å; K140-L143 PolarHBondContact O-N 3.5Å; L143-D145 PolarHBondContact O-N 2.99Å; L143-L146 HydrophobicContact CD2-CD1 4.33Å; L143-L146 CarbonylContact O-C 3.57Å; L143-L146 WeakPolarHBondContact O-CA 3.45Å; L143-L146 WeakPolarHBondContact O-CB 3.41Å; L143-L146 PolarHBondContact O-N 2.91Å; L143-D147 WeakPolarHBondContact O-CB 3.45Å; L143-D147 PolarHBondContact O-N 3.43Å; L143-M425 HydrophobicContact CD1-SD 3.87Å; L143-M425 HydrophobicContact CD2-SD 4.47Å
144	E	71.9	Confident	72.5	Confident	101 Å²	101	82.2 Å²	82.2	47%	0.472	43%	0.429	S	S	.	.	H	α-helix	trans	-57.3	-36.7	170.6	-75.8	176.8	179.2	0	0	110.7	K140 L146 V148	K140-E144 WeakPolarHBondContact CE-OE1 3.37Å; K140-E144 HydrophobicContact CG-CG 4.29Å; K140-E144 IonicContact NZ-OE1 2.66Å; K140-E144 WeakPolarHBondContact O-CB 3.1Å; K140-E144 VanDerWaalsContact O-CG 3.31Å; K140-E144 WeakPolarHBondContact O-CG 3.43Å; K140-E144 PolarHBondContact O-N 3.28Å; E144-L146 PolarHBondContact O-N 2.93Å; E144-V148 VanDerWaalsContact O-CG2 3.25Å; E144-V148 WeakPolarHBondContact O-CG2 3.33Å
145	D	68.8	Low	72.1	Confident	55 Å²	55	84.8 Å²	84.8	29%	0.294	45%	0.449	S	S	.	.	H	α-helix	trans	-70.7	-13.1	173.5	-90.4	-17.7	0	0	0	114.7	A141 I142 L143 R160 R164 K168	A141-D145 WeakPolarHBondContact O-CB 3.44Å; A141-D145 PolarHBondContact O-N 3.5Å; A141-D145 VanDerWaalsContact O-N 3.15Å; I142-D145 CarbonylContact O-C 3.59Å; I142-D145 WeakPolarHBondContact O-CA 3.48Å; I142-D145 VanDerWaalsContact O-CB 3.25Å; I142-D145 WeakPolarHBondContact O-CB 3.41Å; I142-D145 PolarHBondContact O-N 3.41Å; L143-D145 PolarHBondContact O-N 2.99Å; D145-R160 PolarHBondContact O-NH2 3.47Å; D145-R164 PolarHBondContact O-NH2 3.35Å; D145-K168 VanDerWaalsContact CG-NZ 3.3Å; D145-K168 VanDerWaalsContact OD2-CE 3.29Å; D145-K168 WeakPolarHBondContact OD2-CE 3.47Å; D145-K168 IonicContact OD2-NZ 3.2Å; D145-K168 PolarHBondContact OD2-NZ 3.2Å
146	L	68.9	Low	71.6	Confident	70 Å²	70	88.1 Å²	88.1	37%	0.366	46%	0.464	S	S	.	.	H	α-helix	trans	-101.2	-58.8	174.3	-69.6	164.2	0	0	0	111	I142 L143 E144 V148 D149 R160 V422	I142-L146 HydrophobicContact CG2-CD1 4.15Å; I142-L146 WeakPolarHBondContact O-CG 3.2Å; I142-L146 PolarHBondContact O-N 2.81Å; I142-L146 VanDerWaalsContact O-N 3.13Å; L143-L146 HydrophobicContact CD2-CD1 4.33Å; L143-L146 CarbonylContact O-C 3.57Å; L143-L146 WeakPolarHBondContact O-CA 3.45Å; L143-L146 WeakPolarHBondContact O-CB 3.41Å; L143-L146 PolarHBondContact O-N 2.91Å; E144-L146 PolarHBondContact O-N 2.93Å; L146-V148 VanDerWaalsContact C-N 3.32Å; L146-V148 PolarHBondContact O-N 2.96Å; L146-D149 WeakPolarHBondContact O-CB 3.42Å; L146-D149 PolarHBondContact O-N 2.81Å; L146-R160 PolarHBondContact O-NH2 3.25Å; L146-V422 HydrophobicContact CD1-CG1 4.11Å
147	D	58.7	Low	71.1	Confident	111 Å²	111	94.2 Å²	94.2	59%	0.594	48%	0.476	S	S	*	.	H	α-helix	trans	-65.6	-24.8	-167.6	-155.3	35.7	0	0	0	114.9	L143 D149 Q150	L143-D147 WeakPolarHBondContact O-CB 3.45Å; L143-D147 PolarHBondContact O-N 3.43Å; D147-D149 PolarHBondContact O-N 3.32Å; D147-Q150 PolarHBondContact O-N 3.21Å
148	V	53.3	Low	70.9	Confident	79 Å²	79	93 Å²	93	48%	0.479	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-6.8	169.1	172.6	0	0	0	0	111.4	E144 L146 Q150 I152 R160	E144-V148 VanDerWaalsContact O-CG2 3.25Å; E144-V148 WeakPolarHBondContact O-CG2 3.33Å; L146-V148 VanDerWaalsContact C-N 3.32Å; L146-V148 PolarHBondContact O-N 2.96Å; V148-Q150 VanDerWaalsContact C-N 3.32Å; V148-Q150 PolarHBondContact O-N 3.3Å; V148-I152 WeakPolarHBondContact O-CD1 3.48Å; V148-I152 WeakPolarHBondContact O-CG1 3.35Å; V148-R160 VanDerWaalsContact CB-CZ 3.4Å; V148-R160 PolarHBondContact O-NH1 3.48Å; V148-R160 VanDerWaalsContact O-NH1 3.09Å
149	D	53.6	Low	71	Confident	77 Å²	77	93.8 Å²	93.8	41%	0.412	48%	0.48	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-17.4	176.6	-81.1	-38.6	0	0	0	114.1	L146 D147 R160 R164	L146-D149 WeakPolarHBondContact O-CB 3.42Å; L146-D149 PolarHBondContact O-N 2.81Å; D147-D149 PolarHBondContact O-N 3.32Å; D149-R160 VanDerWaalsContact CA-NH1 3.3Å; D149-R160 IonicContact OD1-CZ 2.68Å; D149-R160 IonicContact OD1-NH1 2.67Å; D149-R160 PolarHBondContact OD1-NH1 2.99Å; D149-R160 IonicContact OD2-NH1 2.7Å; D149-R164 IonicContact OD1-CZ 2.95Å; D149-R164 IonicContact OD1-NH1 3.4Å; D149-R164 PolarHBondContact OD1-NH1 3.04Å; D149-R164 IonicContact OD1-NH2 3.4Å; D149-R164 PolarHBondContact OD1-NH2 2.98Å; D149-R164 IonicContact OD2-CZ 3.8Å; D149-R164 IonicContact OD2-NH1 3.18Å; D149-R164 PolarHBondContact OD2-NH1 2.85Å; D149-R164 IonicContact OD2-NH2 2.69Å; D149-R164 PolarHBondContact OD2-NH2 2.87Å
150	Q	55.1	Low	70.7	Confident	166 Å²	166	94.9 Å²	94.9	78%	0.776	48%	0.484	S	S	*	.	S	Bend	trans	-93.6	-16.4	-171.2	-73.3	-175	4.1	0	0	116.3	D147 V148	D147-Q150 PolarHBondContact O-N 3.21Å; V148-Q150 VanDerWaalsContact C-N 3.32Å; V148-Q150 PolarHBondContact O-N 3.3Å
151	C	54.2	Low	70.7	Confident	120 Å²	120	96.1 Å²	96.1	81%	0.811	49%	0.486	S	S	*	.	S	Bend	trans	-139.8	90.9	-178.2	-130	0	0	0	0	111.7
152	I	62	Low	71	Confident	53 Å²	53	95.8 Å²	95.8	27%	0.272	48%	0.477	S	S	.	.			trans	-142	129.7	-171.7	-36.9	-178.3	0	0	0	114	V148 Q156 R157	V148-I152 WeakPolarHBondContact O-CD1 3.48Å; V148-I152 WeakPolarHBondContact O-CG1 3.35Å; I152-Q156 VanDerWaalsContact CG2-C 3.46Å; I152-Q156 HydrophobicContact CG2-CB 3.19Å; I152-Q156 HydrophobicContact CG2-CG 4.45Å; I152-R157 HydrophobicContact CG2-CB 4.07Å; I152-R157 VanDerWaalsContact CG2-N 3.25Å
153	T	72.4	Confident	71.5	Confident	82 Å²	82	95.1 Å²	95.1	50%	0.503	47%	0.471	S	S	.	.			trans	-70.6	157.4	164.5	58.8	0	0	0	0	111.8	T155 Q156 R157	T153-T155 PolarHBondContact O-N 3.22Å; T153-T155 VanDerWaalsContact O-N 3.11Å; T153-Q156 VanDerWaalsContact N-OE1 3.14Å; T153-Q156 PolarHBondContact O-N 3.47Å; T153-Q156 VanDerWaalsContact O-N 3.14Å; T153-Q156 VanDerWaalsContact OG1-CD 3.24Å; T153-Q156 WeakPolarHBondContact OG1-CG 3.28Å; T153-Q156 PolarHBondContact OG1-OE1 3.3Å; T153-R157 PolarHBondContact O-N 2.98Å
154	R	73.4	Confident	71.9	Confident	235 Å²	235	95.5 Å²	95.5	89%	0.887	47%	0.468	S	S	*	.	H	α-helix	trans	-52.8	-38.7	-178.5	-75.5	-171.5	177.4	-170	0.1	113.5	R157 C158	R154-R157 PolarHBondContact O-N 3.39Å; R154-C158 PolarHBondContact O-N 3.29Å; R154-C158 VanDerWaalsContact O-N 3.12Å
155	T	76.8	Confident	72.7	Confident	112 Å²	112	91.8 Å²	91.8	69%	0.687	45%	0.452	S	S	*	.	H	α-helix	trans	-66.8	-46.1	179.8	-49.7	0	0	0	0	112.2	T153 R157 C158 Q159	T153-T155 PolarHBondContact O-N 3.22Å; T153-T155 VanDerWaalsContact O-N 3.11Å; T155-R157 VanDerWaalsContact C-N 3.27Å; T155-R157 PolarHBondContact O-N 3.38Å; T155-C158 PolarHBondContact O-N 2.97Å; T155-Q159 WeakPolarHBondContact O-CB 3.47Å; T155-Q159 PolarHBondContact O-N 3.01Å
156	Q	75.9	Confident	73.7	Confident	94 Å²	94	90 Å²	90	44%	0.439	44%	0.442	S	S	.	.	H	α-helix	trans	-66.1	-30.8	177.5	-72.1	166.1	-32.5	0	0	111.6	I152 T153 R160	I152-Q156 VanDerWaalsContact CG2-C 3.46Å; I152-Q156 HydrophobicContact CG2-CB 3.19Å; I152-Q156 HydrophobicContact CG2-CG 4.45Å; T153-Q156 VanDerWaalsContact N-OE1 3.14Å; T153-Q156 PolarHBondContact O-N 3.47Å; T153-Q156 VanDerWaalsContact O-N 3.14Å; T153-Q156 VanDerWaalsContact OG1-CD 3.24Å; T153-Q156 WeakPolarHBondContact OG1-CG 3.28Å; T153-Q156 PolarHBondContact OG1-OE1 3.3Å; Q156-R160 WeakPolarHBondContact O-CB 3.26Å; Q156-R160 PolarHBondContact O-N 3Å
157	R	76.8	Confident	74.5	Confident	179 Å²	179	89.7 Å²	89.7	68%	0.675	44%	0.438	S	S	*	.	H	α-helix	trans	-67.1	-45.1	174.8	-167.4	179.9	-125.9	172.2	3.7	111.6	I152 T153 R154 T155 R160 Y161	I152-R157 HydrophobicContact CG2-CB 4.07Å; I152-R157 VanDerWaalsContact CG2-N 3.25Å; T153-R157 PolarHBondContact O-N 2.98Å; R154-R157 PolarHBondContact O-N 3.39Å; T155-R157 VanDerWaalsContact C-N 3.27Å; T155-R157 PolarHBondContact O-N 3.38Å; R157-R160 PolarHBondContact O-N 2.97Å; R157-Y161 WeakPolarHBondContact O-CB 3.46Å; R157-Y161 PolarHBondContact O-N 3.49Å
158	C	80.6	Confident	75.6	Confident	83 Å²	83	88.1 Å²	88.1	56%	0.561	43%	0.426	S	S	*	.	H	α-helix	trans	-63.5	-45.5	174.7	-174	0	0	0	0	111.4	R154 T155 R160 Y161 L162	R154-C158 PolarHBondContact O-N 3.29Å; R154-C158 VanDerWaalsContact O-N 3.12Å; T155-C158 PolarHBondContact O-N 2.97Å; C158-R160 VanDerWaalsContact C-N 3.31Å; C158-R160 PolarHBondContact O-N 3.31Å; C158-Y161 PolarHBondContact O-N 2.9Å; C158-L162 WeakPolarHBondContact O-CB 3.46Å; C158-L162 PolarHBondContact O-N 3.04Å
159	Q	85.3	Confident	77.1	Confident	60 Å²	60	87.1 Å²	87.1	28%	0.28	42%	0.421	S	S	.	.	H	α-helix	trans	-54.6	-46.4	176.8	-173.4	-171.4	-0.6	0	0	111.7	T155 L162 W163 S237 S238	T155-Q159 WeakPolarHBondContact O-CB 3.47Å; T155-Q159 PolarHBondContact O-N 3.01Å; Q159-L162 PolarHBondContact O-N 3.32Å; Q159-W163 WeakPolarHBondContact O-CB 3.5Å; Q159-W163 PolarHBondContact O-N 2.98Å; Q159-S237 VanDerWaalsContact CG-O 3.29Å; Q159-S237 WeakPolarHBondContact CG-O 3.5Å; Q159-S237 PolarHBondContact NE2-O 3.35Å; Q159-S237 VanDerWaalsContact NE2-O 3.16Å; Q159-S237 WeakPolarHBondContact O-CB 3.36Å; Q159-S238 PolarHBondContact NE2-O 3.39Å
160	R	78.6	Confident	78.4	Confident	26 Å²	26	91 Å²	91	10%	0.098	44%	0.442	C	S	.	.	H	α-helix	trans	-75.4	-35.9	-178.3	-168.2	167	-179.2	-146.7	11.1	113.4	D145 L146 V148 D149 Q156 R157 C158 L162 W163 R164	D145-R160 PolarHBondContact O-NH2 3.47Å; L146-R160 PolarHBondContact O-NH2 3.25Å; V148-R160 VanDerWaalsContact CB-CZ 3.4Å; V148-R160 PolarHBondContact O-NH1 3.48Å; V148-R160 VanDerWaalsContact O-NH1 3.09Å; D149-R160 VanDerWaalsContact CA-NH1 3.3Å; D149-R160 IonicContact OD1-CZ 2.68Å; D149-R160 IonicContact OD1-NH1 2.67Å; D149-R160 PolarHBondContact OD1-NH1 2.99Å; D149-R160 IonicContact OD2-NH1 2.7Å; Q156-R160 WeakPolarHBondContact O-CB 3.26Å; Q156-R160 PolarHBondContact O-N 3Å; R157-R160 PolarHBondContact O-N 2.97Å; C158-R160 VanDerWaalsContact C-N 3.31Å; C158-R160 PolarHBondContact O-N 3.31Å; R160-L162 VanDerWaalsContact C-N 3.29Å; R160-L162 PolarHBondContact O-N 2.83Å; R160-W163 PolarHBondContact O-N 2.94Å; R160-R164 VanDerWaalsContact NH2-NH2 3.17Å; R160-R164 WeakPolarHBondContact O-CG 3.34Å; R160-R164 PolarHBondContact O-N 3.27Å
161	Y	84	Confident	79.8	Confident	146 Å²	146	85.7 Å²	85.7	57%	0.573	42%	0.423	S	S	*	.	H	α-helix	trans	-57.4	-47.3	169.8	175.7	-97.5	0	0	0	110.3	R157 C158 W163 R164 L165	R157-Y161 WeakPolarHBondContact O-CB 3.46Å; R157-Y161 PolarHBondContact O-N 3.49Å; C158-Y161 PolarHBondContact O-N 2.9Å; Y161-W163 PolarHBondContact O-N 2.8Å; Y161-R164 PolarHBondContact O-N 3.33Å; Y161-L165 HydrophobicContact CE1-CD2 4.36Å; Y161-L165 VanDerWaalsContact O-CB 3.28Å; Y161-L165 WeakPolarHBondContact O-CB 3.33Å; Y161-L165 PolarHBondContact O-N 3.12Å
162	L	87.4	Confident	81.5	Confident	43 Å²	43	82 Å²	82	23%	0.225	40%	0.399	C	S	.	.	H	α-helix	trans	-62.9	-41	175.9	-159.3	89.4	0	0	0	111.9	C158 Q159 R160 L165 M166 L233	C158-L162 WeakPolarHBondContact O-CB 3.46Å; C158-L162 PolarHBondContact O-N 3.04Å; Q159-L162 PolarHBondContact O-N 3.32Å; R160-L162 VanDerWaalsContact C-N 3.29Å; R160-L162 PolarHBondContact O-N 2.83Å; L162-L165 WeakPolarHBondContact O-CB 3.49Å; L162-L165 PolarHBondContact O-N 2.96Å; L162-M166 HydrophobicContact CG-CG 4.42Å; L162-M166 WeakPolarHBondContact O-CB 3.26Å; L162-M166 VanDerWaalsContact O-CG 3.23Å; L162-M166 WeakPolarHBondContact O-CG 2.96Å; L162-M166 PolarHBondContact O-N 3.08Å; L162-L233 HydrophobicContact CD2-CB 4.14Å; L162-L233 HydrophobicContact CD2-CD2 3.96Å
163	W	88.3	Confident	82.9	Confident	43 Å²	43	86.1 Å²	86.1	16%	0.163	42%	0.421	C	S	.	.	H	α-helix	trans	-60.3	-48.4	176	-177	-107	0	0	0	111.8	Q159 R160 Y161 L165 M166 E167 S238 F244	Q159-W163 WeakPolarHBondContact O-CB 3.5Å; Q159-W163 PolarHBondContact O-N 2.98Å; R160-W163 PolarHBondContact O-N 2.94Å; Y161-W163 PolarHBondContact O-N 2.8Å; W163-L165 VanDerWaalsContact C-N 3.33Å; W163-L165 PolarHBondContact O-N 3.11Å; W163-M166 PolarHBondContact O-N 3.47Å; W163-E167 HydrophobicContact CD2-CB 4.38Å; W163-E167 HydrophobicContact CH2-CG 4.35Å; W163-E167 HydrophobicContact CZ2-CB 4.37Å; W163-E167 HydrophobicContact CZ2-CG 3.97Å; W163-E167 VanDerWaalsContact O-CB 3.29Å; W163-E167 WeakPolarHBondContact O-CB 3.47Å; W163-E167 PolarHBondContact O-N 2.83Å; W163-S238 VanDerWaalsContact CE3-CA 3.49Å; W163-S238 VanDerWaalsContact CZ3-CA 3.46Å; W163-S238 VanDerWaalsContact CZ3-CB 3.43Å; W163-F244 AromaticContact CH2-CD2 3.85Å; W163-F244 HydrophobicContact CH2-CD2 3.85Å; W163-F244 HydrophobicContact CH2-CE2 4.08Å; W163-F244 AromaticContact CZ3-CD2 3.93Å; W163-F244 HydrophobicContact CZ3-CD2 3.93Å; W163-F244 AromaticContact CZ3-CE2 3.93Å; W163-F244 HydrophobicContact CZ3-CE2 3.93Å
164	R	84.5	Confident	83.8	Confident	70 Å²	70	84.2 Å²	84.2	26%	0.264	41%	0.413	S	S	.	.	H	α-helix	trans	-61.8	-42.2	176.6	-72.9	179	175.2	168.4	-2.1	110.9	D145 D149 R160 Y161 M166 K168 S171	D145-R164 PolarHBondContact O-NH2 3.35Å; D149-R164 IonicContact OD1-CZ 2.95Å; D149-R164 IonicContact OD1-NH1 3.4Å; D149-R164 PolarHBondContact OD1-NH1 3.04Å; D149-R164 IonicContact OD1-NH2 3.4Å; D149-R164 PolarHBondContact OD1-NH2 2.98Å; D149-R164 IonicContact OD2-CZ 3.8Å; D149-R164 IonicContact OD2-NH1 3.18Å; D149-R164 PolarHBondContact OD2-NH1 2.85Å; D149-R164 IonicContact OD2-NH2 2.69Å; D149-R164 PolarHBondContact OD2-NH2 2.87Å; R160-R164 VanDerWaalsContact NH2-NH2 3.17Å; R160-R164 WeakPolarHBondContact O-CG 3.34Å; R160-R164 PolarHBondContact O-N 3.27Å; Y161-R164 PolarHBondContact O-N 3.33Å; R164-M166 VanDerWaalsContact C-N 3.33Å; R164-M166 PolarHBondContact O-N 3.35Å; R164-K168 CarbonylContact O-C 3.38Å; R164-K168 WeakPolarHBondContact O-CB 3.21Å; R164-K168 PolarHBondContact O-N 3.36Å; R164-K168 VanDerWaalsContact O-N 3.08Å; R164-K168 VanDerWaalsContact O-O 3.09Å; R164-S171 PolarHBondContact O-OG 3.48Å; R164-S171 VanDerWaalsContact O-OG 3.04Å
165	L	88.5	Confident	84.6	Confident	24 Å²	24	73.1 Å²	73.1	13%	0.126	37%	0.372	C	S	.	.	H	α-helix	trans	-60.9	-38.7	177.6	-173.1	72	0	0	0	112.8	Y161 L162 W163 A174 A175 I178	Y161-L165 HydrophobicContact CE1-CD2 4.36Å; Y161-L165 VanDerWaalsContact O-CB 3.28Å; Y161-L165 WeakPolarHBondContact O-CB 3.33Å; Y161-L165 PolarHBondContact O-N 3.12Å; L162-L165 WeakPolarHBondContact O-CB 3.49Å; L162-L165 PolarHBondContact O-N 2.96Å; W163-L165 VanDerWaalsContact C-N 3.33Å; W163-L165 PolarHBondContact O-N 3.11Å; L165-A174 HydrophobicContact CD1-CB 3.73Å; L165-A175 HydrophobicContact CD1-CB 4.06Å; L165-A175 WeakPolarHBondContact O-CA 3.47Å; L165-A175 WeakPolarHBondContact O-CB 3.29Å; L165-I178 HydrophobicContact CD1-CD1 3.9Å; L165-I178 HydrophobicContact CD2-CD1 3.71Å; L165-I178 HydrophobicContact CG-CD1 3.64Å
166	M	88.9	Confident	85.3	Confident	18 Å²	18	75.4 Å²	75.4	9%	0.089	37%	0.368	C	S	.	.	H	α-helix	trans	-93.9	-28.9	-173.2	-64.9	-64.3	-67.7	0	0	114.9	L162 W163 R164 I178 E230 L233 R234	L162-M166 HydrophobicContact CG-CG 4.42Å; L162-M166 WeakPolarHBondContact O-CB 3.26Å; L162-M166 VanDerWaalsContact O-CG 3.23Å; L162-M166 WeakPolarHBondContact O-CG 2.96Å; L162-M166 PolarHBondContact O-N 3.08Å; W163-M166 PolarHBondContact O-N 3.47Å; R164-M166 VanDerWaalsContact C-N 3.33Å; R164-M166 PolarHBondContact O-N 3.35Å; M166-I178 HydrophobicContact SD-CG2 4.07Å; M166-E230 HydrophobicContact CE-CB 4.26Å; M166-E230 HydrophobicContact CE-CG 3.57Å; M166-L233 HydrophobicContact CE-CB 4.04Å; M166-L233 HydrophobicContact CE-CD1 4.27Å; M166-L233 HydrophobicContact CG-CB 4.48Å; M166-L233 HydrophobicContact SD-CD1 4.38Å; M166-R234 HydrophobicContact CB-CG 3.91Å; M166-R234 HydrophobicContact CE-CG 4.29Å; M166-R234 PolarHBondContact O-NE 3.39Å; M166-R234 PolarHBondContact O-NH2 3.19Å
167	E	85.3	Confident	86.1	Confident	63 Å²	63	75.8 Å²	75.8	29%	0.294	37%	0.372	S	S	.	.	H	α-helix	trans	-106.3	-27.2	-173.6	-161.3	67.5	-171.5	0	0	113.2	W163 P169 R234 R300	W163-E167 HydrophobicContact CD2-CB 4.38Å; W163-E167 HydrophobicContact CH2-CG 4.35Å; W163-E167 HydrophobicContact CZ2-CB 4.37Å; W163-E167 HydrophobicContact CZ2-CG 3.97Å; W163-E167 VanDerWaalsContact O-CB 3.29Å; W163-E167 WeakPolarHBondContact O-CB 3.47Å; W163-E167 PolarHBondContact O-N 2.83Å; E167-P169 WeakPolarHBondContact O-CD 3.31Å; E167-R234 WeakPolarHBondContact OE2-CD 3.38Å; E167-R234 IonicContact OE2-NE 3.84Å; E167-R300 VanDerWaalsContact CD-NH1 3.34Å; E167-R300 IonicContact OE1-NH1 3.7Å; E167-R300 PolarHBondContact OE1-NH1 2.79Å; E167-R300 IonicContact OE2-NH1 3.49Å; E167-R300 PolarHBondContact OE2-NH1 2.86Å
168	K	83.4	Confident	86.8	Confident	78 Å²	78	69.3 Å²	69.3	34%	0.339	35%	0.35	S	S	.	.			trans	-114.9	93.9	-177.9	-65.4	-170.9	178.5	-171.4	0	111.1	D145 R164 D170 S171 A175	D145-K168 VanDerWaalsContact CG-NZ 3.3Å; D145-K168 VanDerWaalsContact OD2-CE 3.29Å; D145-K168 WeakPolarHBondContact OD2-CE 3.47Å; D145-K168 IonicContact OD2-NZ 3.2Å; D145-K168 PolarHBondContact OD2-NZ 3.2Å; R164-K168 CarbonylContact O-C 3.38Å; R164-K168 WeakPolarHBondContact O-CB 3.21Å; R164-K168 PolarHBondContact O-N 3.36Å; R164-K168 VanDerWaalsContact O-N 3.08Å; R164-K168 VanDerWaalsContact O-O 3.09Å; K168-D170 PolarHBondContact O-N 3.35Å; K168-S171 VanDerWaalsContact O-CB 3.24Å; K168-S171 WeakPolarHBondContact O-CB 3.42Å; K168-S171 PolarHBondContact O-N 3.16Å; K168-S171 VanDerWaalsContact O-N 3.07Å; K168-S171 PolarHBondContact O-OG 3.35Å; K168-A175 WeakPolarHBondContact O-CB 3.36Å
169	P	85	Confident	87.3	Confident	57 Å²	57	66.3 Å²	66.3	37%	0.37	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-57.8	-34.8	-179.1	-24.9	33.9	0	0	0	113.8	E167 S171 R176 A179	E167-P169 WeakPolarHBondContact O-CD 3.31Å; P169-S171 PolarHBondContact O-N 2.89Å; P169-R176 PolarHBondContact O-N 3.42Å; P169-A179 HydrophobicContact CB-CB 3.92Å; P169-A179 HydrophobicContact CG-CB 4.08Å
170	D	80.9	Confident	87.6	Confident	159 Å²	159	67.6 Å²	67.6	85%	0.85	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-79.9	-1.4	-178.3	-57.7	-42.8	0	0	0	113.6	K168	K168-D170 PolarHBondContact O-N 3.35Å
171	S	84	Confident	88.3	Confident	54 Å²	54	68 Å²	68	38%	0.378	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-70.8	-32.5	-177.3	65.1	0	0	0	0	113.7	R164 K168 P169 A175	R164-S171 PolarHBondContact O-OG 3.48Å; R164-S171 VanDerWaalsContact O-OG 3.04Å; K168-S171 VanDerWaalsContact O-CB 3.24Å; K168-S171 WeakPolarHBondContact O-CB 3.42Å; K168-S171 PolarHBondContact O-N 3.16Å; K168-S171 VanDerWaalsContact O-N 3.07Å; K168-S171 PolarHBondContact O-OG 3.35Å; P169-S171 PolarHBondContact O-N 2.89Å; S171-A175 WeakPolarHBondContact OG-CB 3.22Å
172	S	89.6	Confident	88.8	Confident	44 Å²	44	61 Å²	61	31%	0.308	32%	0.321	S	S	.	.			trans	-162.1	160.8	-177.3	63.7	0	0	0	0	111.6	A174 A175 R176	S172-A174 PolarHBondContact O-N 3.38Å; S172-A175 WeakPolarHBondContact O-CB 3.37Å; S172-A175 PolarHBondContact O-N 3.41Å; S172-A175 WeakPolarHBondContact OG-CB 3.31Å; S172-A175 PolarHBondContact OG-N 2.94Å; S172-A175 VanDerWaalsContact OG-N 3.08Å; S172-R176 PolarHBondContact O-N 3.43Å
173	L	90.9	Very high	89	Confident	139 Å²	139	63 Å²	63	73%	0.728	33%	0.327	S	S	*	.	H	α-helix	trans	-56.6	-40.8	173.1	-168.5	96	0	0	0	111.5	R176 I177	L173-R176 WeakPolarHBondContact O-CB 3.17Å; L173-R176 PolarHBondContact O-N 2.84Å; L173-I177 HydrophobicContact CD2-CD1 4.14Å; L173-I177 HydrophobicContact CG-CD1 4.32Å; L173-I177 WeakPolarHBondContact O-CG1 3.25Å; L173-I177 PolarHBondContact O-N 3.42Å
174	A	91.5	Very high	89.3	Confident	42 Å²	42	65.4 Å²	65.4	35%	0.347	34%	0.343	S	S	.	.	H	α-helix	trans	-64.2	-42.1	178	0	0	0	0	0	112.1	L165 S172 R176 I177 I178	L165-A174 HydrophobicContact CD1-CB 3.73Å; S172-A174 PolarHBondContact O-N 3.38Å; A174-R176 VanDerWaalsContact C-N 3.3Å; A174-R176 PolarHBondContact O-N 3.27Å; A174-I177 PolarHBondContact O-N 3.22Å; A174-I178 WeakPolarHBondContact O-CG1 3.35Å; A174-I178 PolarHBondContact O-N 3.46Å
175	A	90.3	Very high	89.7	Confident	1 Å²	1	62.9 Å²	62.9	1%	0.008	34%	0.336	C	S	.	.	H	α-helix	trans	-60.6	-42.4	175.1	0	0	0	0	0	111.2	L165 K168 S171 S172 I178 A179	L165-A175 HydrophobicContact CD1-CB 4.06Å; L165-A175 WeakPolarHBondContact O-CA 3.47Å; L165-A175 WeakPolarHBondContact O-CB 3.29Å; K168-A175 WeakPolarHBondContact O-CB 3.36Å; S171-A175 WeakPolarHBondContact OG-CB 3.22Å; S172-A175 WeakPolarHBondContact O-CB 3.37Å; S172-A175 PolarHBondContact O-N 3.41Å; S172-A175 WeakPolarHBondContact OG-CB 3.31Å; S172-A175 PolarHBondContact OG-N 2.94Å; S172-A175 VanDerWaalsContact OG-N 3.08Å; A175-I178 PolarHBondContact O-N 2.81Å; A175-A179 WeakPolarHBondContact O-CB 3.33Å; A175-A179 PolarHBondContact O-N 3.45Å
176	R	90.8	Very high	90	Very high	160 Å²	160	61.9 Å²	61.9	60%	0.604	33%	0.331	S	S	*	.	H	α-helix	trans	-62.9	-42.2	176.3	-168.9	175	177.1	-178.1	-0.4	112.3	P169 S172 L173 A174 A179 I180	P169-R176 PolarHBondContact O-N 3.42Å; S172-R176 PolarHBondContact O-N 3.43Å; L173-R176 WeakPolarHBondContact O-CB 3.17Å; L173-R176 PolarHBondContact O-N 2.84Å; A174-R176 VanDerWaalsContact C-N 3.3Å; A174-R176 PolarHBondContact O-N 3.27Å; R176-A179 PolarHBondContact O-N 2.89Å; R176-I180 HydrophobicContact CG-CD1 4.16Å; R176-I180 VanDerWaalsContact O-CG1 3.27Å; R176-I180 WeakPolarHBondContact O-CG1 3.49Å; R176-I180 PolarHBondContact O-N 3.23Å
177	I	93.4	Very high	90.3	Very high	103 Å²	103	64.5 Å²	64.5	53%	0.528	35%	0.345	S	S	.	.	H	α-helix	trans	-62.3	-46.4	175.5	-68.3	166.6	0	0	0	110.7	L173 A174 A179 I180 A181	L173-I177 HydrophobicContact CD2-CD1 4.14Å; L173-I177 HydrophobicContact CG-CD1 4.32Å; L173-I177 WeakPolarHBondContact O-CG1 3.25Å; L173-I177 PolarHBondContact O-N 3.42Å; A174-I177 PolarHBondContact O-N 3.22Å; I177-A179 VanDerWaalsContact C-N 3.33Å; I177-A179 PolarHBondContact O-N 3.49Å; I177-I180 PolarHBondContact O-N 2.95Å; I177-A181 WeakPolarHBondContact O-CB 3.45Å; I177-A181 PolarHBondContact O-N 3.03Å
178	I	92.1	Very high	90.7	Very high	43 Å²	43	64.9 Å²	64.9	22%	0.221	35%	0.351	C	S	.	.	H	α-helix	trans	-62.7	-40.9	178.3	-70.5	166.1	0	0	0	111.3	L165 M166 A174 A175 A181 S182	L165-I178 HydrophobicContact CD1-CD1 3.9Å; L165-I178 HydrophobicContact CD2-CD1 3.71Å; L165-I178 HydrophobicContact CG-CD1 3.64Å; M166-I178 HydrophobicContact SD-CG2 4.07Å; A174-I178 WeakPolarHBondContact O-CG1 3.35Å; A174-I178 PolarHBondContact O-N 3.46Å; A175-I178 PolarHBondContact O-N 2.81Å; I178-A181 PolarHBondContact O-N 3.37Å; I178-S182 WeakPolarHBondContact O-CB 3.31Å; I178-S182 PolarHBondContact O-N 3.43Å; I178-S182 PolarHBondContact O-OG 2.84Å
179	A	91.3	Very high	91.2	Very high	19 Å²	19	61.3 Å²	61.3	16%	0.157	34%	0.336	C	S	.	.	H	α-helix	trans	-62.9	-43.7	176.5	0	0	0	0	0	111.7	P169 A175 R176 I177 S182 F183	P169-A179 HydrophobicContact CB-CB 3.92Å; P169-A179 HydrophobicContact CG-CB 4.08Å; A175-A179 WeakPolarHBondContact O-CB 3.33Å; A175-A179 PolarHBondContact O-N 3.45Å; R176-A179 PolarHBondContact O-N 2.89Å; I177-A179 VanDerWaalsContact C-N 3.33Å; I177-A179 PolarHBondContact O-N 3.49Å; A179-S182 PolarHBondContact O-N 3.39Å; A179-F183 WeakPolarHBondContact O-CB 3.46Å; A179-F183 PolarHBondContact O-N 3.45Å
180	I	92	Very high	91.6	Very high	88 Å²	88	59.7 Å²	59.7	45%	0.451	33%	0.328	S	S	.	.	H	α-helix	trans	-64.1	-45.1	175.1	-68.4	166	0	0	0	110.7	R176 I177 S182 F183 L184	R176-I180 HydrophobicContact CG-CD1 4.16Å; R176-I180 VanDerWaalsContact O-CG1 3.27Å; R176-I180 WeakPolarHBondContact O-CG1 3.49Å; R176-I180 PolarHBondContact O-N 3.23Å; I177-I180 PolarHBondContact O-N 2.95Å; I180-S182 VanDerWaalsContact C-N 3.32Å; I180-S182 PolarHBondContact O-N 3.25Å; I180-F183 PolarHBondContact O-N 3.31Å; I180-L184 HydrophobicContact CG2-CD1 3.98Å; I180-L184 HydrophobicContact CG2-CG 4.36Å; I180-L184 WeakPolarHBondContact O-CG 3.41Å; I180-L184 PolarHBondContact O-N 2.91Å
181	A	93	Very high	92.2	Very high	34 Å²	34	56.4 Å²	56.4	28%	0.281	31%	0.313	S	S	.	.	H	α-helix	trans	-61.8	-40.2	177.9	0	0	0	0	0	112.1	I177 I178 L184 S185 W226	I177-A181 WeakPolarHBondContact O-CB 3.45Å; I177-A181 PolarHBondContact O-N 3.03Å; I178-A181 PolarHBondContact O-N 3.37Å; A181-L184 PolarHBondContact O-N 3.4Å; A181-S185 PolarHBondContact O-N 3.45Å; A181-S185 PolarHBondContact O-OG 3.44Å; A181-W226 HydrophobicContact CB-CH2 4.41Å; A181-W226 HydrophobicContact CB-CZ2 4.04Å
182	S	92.9	Very high	92.6	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-66.6	-39.5	176.3	-55.3	0	0	0	0	111.8	I178 A179 I180 S185 I186	I178-S182 WeakPolarHBondContact O-CB 3.31Å; I178-S182 PolarHBondContact O-N 3.43Å; I178-S182 PolarHBondContact O-OG 2.84Å; A179-S182 PolarHBondContact O-N 3.39Å; I180-S182 VanDerWaalsContact C-N 3.32Å; I180-S182 PolarHBondContact O-N 3.25Å; S182-S185 PolarHBondContact O-N 2.93Å; S182-S185 PolarHBondContact O-OG 3.09Å; S182-I186 WeakPolarHBondContact O-CD1 3.01Å; S182-I186 VanDerWaalsContact O-CG1 3.28Å; S182-I186 WeakPolarHBondContact O-CG1 3.06Å; S182-I186 PolarHBondContact O-N 3.04Å
183	F	92.9	Very high	92.6	Very high	84 Å²	84	54 Å²	54	37%	0.368	29%	0.292	S	S	.	.	H	α-helix	trans	-63.5	-46.1	173	176	-99	0	0	0	111.9	A179 I180 S185 I186 L187 L298 H301	A179-F183 WeakPolarHBondContact O-CB 3.46Å; A179-F183 PolarHBondContact O-N 3.45Å; I180-F183 PolarHBondContact O-N 3.31Å; F183-S185 PolarHBondContact O-N 3.39Å; F183-I186 PolarHBondContact O-N 3.49Å; F183-L187 HydrophobicContact CD1-CD1 4.09Å; F183-L187 HydrophobicContact CE1-CD1 3.46Å; F183-L187 VanDerWaalsContact CE1-CD1 3.46Å; F183-L187 HydrophobicContact CE1-CG 4.15Å; F183-L187 HydrophobicContact CZ-CD1 3.88Å; F183-L187 HydrophobicContact CZ-CD2 4.4Å; F183-L187 HydrophobicContact CZ-CG 4.27Å; F183-L187 PolarHBondContact O-N 3.35Å; F183-L187 VanDerWaalsContact O-N 3.15Å; F183-L298 HydrophobicContact CD2-CD2 3.77Å; F183-L298 HydrophobicContact CE2-CD2 3.63Å; F183-H301 HydrophobicContact CD2-CB 4.24Å
184	L	93.9	Very high	92.6	Very high	93 Å²	93	51 Å²	51	49%	0.487	28%	0.282	S	S	.	.	H	α-helix	trans	-62.5	-39.5	177.5	-71.4	173.5	0	0	0	112.2	I180 A181 I186 L187 V188	I180-L184 HydrophobicContact CG2-CD1 3.98Å; I180-L184 HydrophobicContact CG2-CG 4.36Å; I180-L184 WeakPolarHBondContact O-CG 3.41Å; I180-L184 PolarHBondContact O-N 2.91Å; A181-L184 PolarHBondContact O-N 3.4Å; L184-I186 VanDerWaalsContact C-N 3.31Å; L184-I186 PolarHBondContact O-N 3.19Å; L184-L187 PolarHBondContact O-N 3.42Å; L184-V188 WeakPolarHBondContact O-CG2 3.4Å; L184-V188 PolarHBondContact O-N 3.03Å
185	S	94.2	Very high	92.6	Very high	17 Å²	17	50.8 Å²	50.8	12%	0.119	28%	0.276	C	S	.	.	H	α-helix	trans	-67.3	-31	177.8	65.1	0	0	0	0	112.8	A181 S182 F183 S189 W226 F227	A181-S185 PolarHBondContact O-N 3.45Å; A181-S185 PolarHBondContact O-OG 3.44Å; S182-S185 PolarHBondContact O-N 2.93Å; S182-S185 PolarHBondContact O-OG 3.09Å; F183-S185 PolarHBondContact O-N 3.39Å; S185-S189 VanDerWaalsContact O-CB 3.29Å; S185-S189 WeakPolarHBondContact O-CB 3.18Å; S185-S189 PolarHBondContact O-N 3.05Å; S185-W226 VanDerWaalsContact OG-CD1 3.24Å; S185-W226 PolarHBondContact OG-NE1 3.39Å; S185-F227 WeakPolarHBondContact OG-CE1 3.27Å
186	I	94.3	Very high	92.5	Very high	4 Å²	4	51.2 Å²	51.2	2%	0.021	28%	0.279	C	S	.	.	H	α-helix	trans	-64.1	-45.6	169.7	-62	160.1	0	0	0	111	S182 F183 L184 S189 A190 F227 K297 L298	S182-I186 WeakPolarHBondContact O-CD1 3.01Å; S182-I186 VanDerWaalsContact O-CG1 3.28Å; S182-I186 WeakPolarHBondContact O-CG1 3.06Å; S182-I186 PolarHBondContact O-N 3.04Å; F183-I186 PolarHBondContact O-N 3.49Å; L184-I186 VanDerWaalsContact C-N 3.31Å; L184-I186 PolarHBondContact O-N 3.19Å; I186-S189 PolarHBondContact O-N 3.49Å; I186-A190 WeakPolarHBondContact O-CB 3.37Å; I186-A190 PolarHBondContact O-N 3.31Å; I186-F227 HydrophobicContact CB-CZ 4.4Å; I186-F227 HydrophobicContact CG1-CE1 3.76Å; I186-F227 HydrophobicContact CG1-CZ 3.79Å; I186-K297 HydrophobicContact CD1-CB 3.87Å; I186-K297 HydrophobicContact CD1-CD 3.92Å; I186-K297 HydrophobicContact CD1-CG 3.69Å; I186-K297 HydrophobicContact CG1-CB 4.34Å; I186-K297 HydrophobicContact CG1-CD 4.15Å; I186-K297 HydrophobicContact CG1-CG 4.36Å; I186-L298 HydrophobicContact CB-CD2 4.17Å; I186-L298 HydrophobicContact CD1-CD2 4.33Å; I186-L298 HydrophobicContact CG2-CD2 3.66Å; I186-L298 HydrophobicContact CG2-CG 3.78Å
187	L	94	Very high	92.3	Very high	72 Å²	72	48.4 Å²	48.4	38%	0.377	28%	0.28	S	S	.	.	H	α-helix	trans	-62.6	-45.7	177.1	-65.6	-177.9	0	0	0	111.8	F183 L184 S189 A190 V191	F183-L187 HydrophobicContact CD1-CD1 4.09Å; F183-L187 HydrophobicContact CE1-CD1 3.46Å; F183-L187 VanDerWaalsContact CE1-CD1 3.46Å; F183-L187 HydrophobicContact CE1-CG 4.15Å; F183-L187 HydrophobicContact CZ-CD1 3.88Å; F183-L187 HydrophobicContact CZ-CD2 4.4Å; F183-L187 HydrophobicContact CZ-CG 4.27Å; F183-L187 PolarHBondContact O-N 3.35Å; F183-L187 VanDerWaalsContact O-N 3.15Å; L184-L187 PolarHBondContact O-N 3.42Å; L187-S189 VanDerWaalsContact C-N 3.35Å; L187-S189 PolarHBondContact O-N 3.43Å; L187-A190 PolarHBondContact O-N 3.38Å; L187-V191 WeakPolarHBondContact O-CG2 3.39Å; L187-V191 PolarHBondContact O-N 3.15Å
188	V	94.9	Very high	92.2	Very high	71 Å²	71	46.6 Å²	46.6	43%	0.43	27%	0.271	S	S	.	.	H	α-helix	trans	-59.7	-46.4	175.9	171.6	0	0	0	0	110.5	L184 A190 V191 V192 I219	L184-V188 WeakPolarHBondContact O-CG2 3.4Å; L184-V188 PolarHBondContact O-N 3.03Å; V188-A190 VanDerWaalsContact C-N 3.31Å; V188-A190 PolarHBondContact O-N 3Å; V188-V191 PolarHBondContact O-N 3.42Å; V188-V192 HydrophobicContact CG1-CG2 4.25Å; V188-V192 WeakPolarHBondContact O-CB 3.33Å; V188-V192 VanDerWaalsContact O-CG2 3.27Å; V188-V192 WeakPolarHBondContact O-CG2 3.26Å; V188-V192 PolarHBondContact O-N 2.83Å; V188-I219 HydrophobicContact CG1-CG2 4.03Å
189	S	93.9	Very high	91.9	Very high	3 Å²	3	47.9 Å²	47.9	2%	0.021	28%	0.282	C	S	.	.	H	α-helix	trans	-61	-39.3	177.8	-174.2	0	0	0	0	112.4	S185 I186 L187 M193	S185-S189 VanDerWaalsContact O-CB 3.29Å; S185-S189 WeakPolarHBondContact O-CB 3.18Å; S185-S189 PolarHBondContact O-N 3.05Å; I186-S189 PolarHBondContact O-N 3.49Å; L187-S189 VanDerWaalsContact C-N 3.35Å; L187-S189 PolarHBondContact O-N 3.43Å; S189-M193 VanDerWaalsContact O-CB 3.32Å; S189-M193 WeakPolarHBondContact O-CB 3.38Å; S189-M193 PolarHBondContact O-N 2.86Å
190	A	93.2	Very high	91.8	Very high	24 Å²	24	54.6 Å²	54.6	20%	0.198	31%	0.31	C	S	.	.	H	α-helix	trans	-66.9	-43.9	176.4	0	0	0	0	0	112.1	I186 L187 V188 M193 C194 I295	I186-A190 WeakPolarHBondContact O-CB 3.37Å; I186-A190 PolarHBondContact O-N 3.31Å; L187-A190 PolarHBondContact O-N 3.38Å; V188-A190 VanDerWaalsContact C-N 3.31Å; V188-A190 PolarHBondContact O-N 3Å; A190-M193 PolarHBondContact O-N 3.12Å; A190-C194 PolarHBondContact O-N 3.33Å; A190-C194 PolarHBondContact O-SG 3.49Å; A190-I295 HydrophobicContact CB-CG1 4.37Å
191	V	93.6	Very high	91.6	Very high	90 Å²	90	54.7 Å²	54.7	55%	0.545	31%	0.311	S	S	.	.	H	α-helix	trans	-62.8	-47.4	176.4	171.8	0	0	0	0	110.8	L187 V188 M193 C194 V195	L187-V191 WeakPolarHBondContact O-CG2 3.39Å; L187-V191 PolarHBondContact O-N 3.15Å; V188-V191 PolarHBondContact O-N 3.42Å; V191-M193 VanDerWaalsContact C-N 3.31Å; V191-M193 PolarHBondContact O-N 3.19Å; V191-C194 PolarHBondContact O-N 3.4Å; V191-C194 VanDerWaalsContact O-N 3.16Å; V191-V195 HydrophobicContact CG1-CG2 4.11Å; V191-V195 WeakPolarHBondContact O-CB 3.44Å; V191-V195 VanDerWaalsContact O-CG2 3.28Å; V191-V195 WeakPolarHBondContact O-CG2 3.33Å; V191-V195 PolarHBondContact O-N 3.03Å
192	V	92.8	Very high	91.4	Very high	11 Å²	11	55.5 Å²	55.5	7%	0.067	31%	0.309	C	S	.	.	H	α-helix	trans	-59.7	-43.5	177.2	171.8	0	0	0	0	110.6	V188 C194 V195 S196 M216 I219 E220	V188-V192 HydrophobicContact CG1-CG2 4.25Å; V188-V192 WeakPolarHBondContact O-CB 3.33Å; V188-V192 VanDerWaalsContact O-CG2 3.27Å; V188-V192 WeakPolarHBondContact O-CG2 3.26Å; V188-V192 PolarHBondContact O-N 2.83Å; V192-C194 VanDerWaalsContact C-N 3.33Å; V192-C194 PolarHBondContact O-N 3.5Å; V192-V195 PolarHBondContact O-N 3.3Å; V192-S196 VanDerWaalsContact O-CB 3.32Å; V192-S196 WeakPolarHBondContact O-CB 3.37Å; V192-S196 PolarHBondContact O-N 3.22Å; V192-S196 PolarHBondContact O-OG 3.48Å; V192-M216 HydrophobicContact CG1-CB 4.22Å; V192-M216 HydrophobicContact CG1-SD 4.29Å; V192-I219 HydrophobicContact CG2-CB 4.31Å; V192-I219 HydrophobicContact CG2-CG2 3.7Å; V192-E220 HydrophobicContact CG1-CB 4.35Å
193	M	88.9	Confident	91.2	Very high	37 Å²	37	58.3 Å²	58.3	18%	0.182	33%	0.326	C	S	.	.	H	α-helix	trans	-58	-44.7	175.7	-175.6	-177.3	71.9	0	0	111.8	S189 A190 V191 T197 R291 I292 I295	S189-M193 VanDerWaalsContact O-CB 3.32Å; S189-M193 WeakPolarHBondContact O-CB 3.38Å; S189-M193 PolarHBondContact O-N 2.86Å; A190-M193 PolarHBondContact O-N 3.12Å; V191-M193 VanDerWaalsContact C-N 3.31Å; V191-M193 PolarHBondContact O-N 3.19Å; M193-T197 WeakPolarHBondContact O-CG2 3.32Å; M193-R291 HydrophobicContact SD-CB 4.32Å; M193-I292 HydrophobicContact CE-CG1 4.05Å; M193-I292 HydrophobicContact SD-CG1 3.99Å; M193-I295 HydrophobicContact CE-CD1 3.84Å
194	C	90.4	Very high	90.9	Very high	76 Å²	76	61.5 Å²	61.5	51%	0.514	34%	0.34	S	S	.	.	H	α-helix	trans	-64.9	-47.7	176.3	-66.7	0	0	0	0	111.7	A190 V191 V192 S196 T197	A190-C194 PolarHBondContact O-N 3.33Å; A190-C194 PolarHBondContact O-SG 3.49Å; V191-C194 PolarHBondContact O-N 3.4Å; V191-C194 VanDerWaalsContact O-N 3.16Å; V192-C194 VanDerWaalsContact C-N 3.33Å; V192-C194 PolarHBondContact O-N 3.5Å; C194-S196 VanDerWaalsContact C-N 3.32Å; C194-S196 PolarHBondContact O-N 2.87Å; C194-T197 PolarHBondContact O-N 2.91Å; C194-T197 VanDerWaalsContact O-N 3.11Å; C194-T197 PolarHBondContact O-OG1 3.45Å
195	V	92	Very high	90.3	Very high	36 Å²	36	61 Å²	61	22%	0.218	34%	0.337	C	S	.	.	H	α-helix	trans	-62.4	-39.3	-178.8	171.5	0	0	0	0	111.4	V191 V192 T197 I198 L201 M216	V191-V195 HydrophobicContact CG1-CG2 4.11Å; V191-V195 WeakPolarHBondContact O-CB 3.44Å; V191-V195 VanDerWaalsContact O-CG2 3.28Å; V191-V195 WeakPolarHBondContact O-CG2 3.33Å; V191-V195 PolarHBondContact O-N 3.03Å; V192-V195 PolarHBondContact O-N 3.3Å; V195-T197 PolarHBondContact O-N 3.16Å; V195-T197 VanDerWaalsContact O-N 3.13Å; V195-I198 WeakPolarHBondContact O-CB 3.46Å; V195-I198 PolarHBondContact O-N 3.42Å; V195-L201 HydrophobicContact CG1-CD1 3.56Å; V195-M216 HydrophobicContact CG1-CE 4.26Å; V195-M216 HydrophobicContact CG1-SD 4.13Å
196	S	87.8	Confident	89.6	Confident	11 Å²	11	65 Å²	65	8%	0.077	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-17.7	176.8	-69.7	0	0	0	0	114	V192 C194 Q202 M216	V192-S196 VanDerWaalsContact O-CB 3.32Å; V192-S196 WeakPolarHBondContact O-CB 3.37Å; V192-S196 PolarHBondContact O-N 3.22Å; V192-S196 PolarHBondContact O-OG 3.48Å; C194-S196 VanDerWaalsContact C-N 3.32Å; C194-S196 PolarHBondContact O-N 2.87Å; S196-Q202 PolarHBondContact O-NE2 3.49Å; S196-M216 WeakPolarHBondContact OG-CB 2.9Å
197	T	87.7	Confident	88.9	Confident	100 Å²	100	72.3 Å²	72.3	61%	0.613	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-11.3	175.5	65.7	0	0	0	0	114	M193 C194 V195 P199	M193-T197 WeakPolarHBondContact O-CG2 3.32Å; C194-T197 PolarHBondContact O-N 2.91Å; C194-T197 VanDerWaalsContact O-N 3.11Å; C194-T197 PolarHBondContact O-OG1 3.45Å; V195-T197 PolarHBondContact O-N 3.16Å; V195-T197 VanDerWaalsContact O-N 3.13Å; T197-P199 WeakPolarHBondContact O-CD 3.47Å
198	I	90.2	Very high	88.1	Confident	65 Å²	65	71.1 Å²	71.1	33%	0.333	41%	0.411	S	S	.	.			trans	-75.1	115.3	-178.4	-61.2	177.3	0	0	0	109.4	V195 E200 L201 Q202	V195-I198 WeakPolarHBondContact O-CB 3.46Å; V195-I198 PolarHBondContact O-N 3.42Å; I198-E200 VanDerWaalsContact C-N 3.25Å; I198-E200 HydrophobicContact CG2-CB 4.22Å; I198-E200 WeakPolarHBondContact CG2-OE2 3.37Å; I198-E200 PolarHBondContact O-N 2.94Å; I198-L201 HydrophobicContact CB-CB 4.41Å; I198-L201 HydrophobicContact CB-CD1 4.13Å; I198-L201 HydrophobicContact CB-CG 4.32Å; I198-L201 HydrophobicContact CD1-CD1 4.06Å; I198-L201 HydrophobicContact CG2-CB 4.45Å; I198-L201 HydrophobicContact CG2-CD1 4.13Å; I198-L201 HydrophobicContact CG2-CG 4.01Å; I198-L201 PolarHBondContact O-N 3.43Å; I198-L201 VanDerWaalsContact O-N 3.11Å; I198-Q202 PolarHBondContact O-N 2.92Å
199	P	87.1	Confident	87.4	Confident	70 Å²	70	73.7 Å²	73.7	46%	0.455	42%	0.417	S	S	.	.	G	3₁₀ helix	trans	-59.5	-33.2	-176.2	-24.6	34.7	0	0	0	113.9	T197 L201 Q202 L210	T197-P199 WeakPolarHBondContact O-CD 3.47Å; P199-L201 PolarHBondContact O-N 2.93Å; P199-Q202 PolarHBondContact O-N 2.92Å; P199-L210 HydrophobicContact CB-CD1 4.42Å
200	E	88.3	Confident	86.7	Confident	160 Å²	160	77.2 Å²	77.2	75%	0.748	44%	0.435	S	S	*	.	G	3₁₀ helix	trans	-67.6	-21.5	-179.5	-62.3	76.2	-166.1	0	0	113.1	I198	I198-E200 VanDerWaalsContact C-N 3.25Å; I198-E200 HydrophobicContact CG2-CB 4.22Å; I198-E200 WeakPolarHBondContact CG2-OE2 3.37Å; I198-E200 PolarHBondContact O-N 2.94Å
201	L	86.9	Confident	86.3	Confident	91 Å²	91	77.9 Å²	77.9	48%	0.476	44%	0.437	S	S	.	.	G	3₁₀ helix	trans	-100.6	-4.3	179.5	-62	177.2	0	0	0	112.6	V195 I198 P199	V195-L201 HydrophobicContact CG1-CD1 3.56Å; I198-L201 HydrophobicContact CB-CB 4.41Å; I198-L201 HydrophobicContact CB-CD1 4.13Å; I198-L201 HydrophobicContact CB-CG 4.32Å; I198-L201 HydrophobicContact CD1-CD1 4.06Å; I198-L201 HydrophobicContact CG2-CB 4.45Å; I198-L201 HydrophobicContact CG2-CD1 4.13Å; I198-L201 HydrophobicContact CG2-CG 4.01Å; I198-L201 PolarHBondContact O-N 3.43Å; I198-L201 VanDerWaalsContact O-N 3.11Å; P199-L201 PolarHBondContact O-N 2.93Å
202	Q	88.9	Confident	85.8	Confident	50 Å²	50	75.3 Å²	75.3	23%	0.234	42%	0.418	C	S	.	.	P	Polyproline II helix	trans	-82.4	148.4	176.3	-72.9	176.3	-6	0	0	111.3	S196 I198 P199 L210 V211	S196-Q202 PolarHBondContact O-NE2 3.49Å; I198-Q202 PolarHBondContact O-N 2.92Å; P199-Q202 PolarHBondContact O-N 2.92Å; Q202-L210 HydrophobicContact CB-CB 4.14Å; Q202-L210 HydrophobicContact CB-CD2 4.14Å; Q202-V211 CarbonylContact C-O 3.59Å; Q202-V211 WeakPolarHBondContact CA-O 3.36Å; Q202-V211 VanDerWaalsContact CB-O 3.25Å; Q202-V211 WeakPolarHBondContact CB-O 3.28Å
203	V	89.4	Confident	85.6	Confident	60 Å²	60	78 Å²	78	36%	0.364	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	145.2	179.1	-174.8	0	0	0	0	108.9	V211 H213	V203-V211 PolarHBondContact N-O 2.95Å; V203-V211 WeakPolarHBondContact O-CG2 3.49Å; V203-V211 PolarHBondContact O-N 3.03Å; V203-H213 HydrophobicContact CG2-CB 4.21Å; V203-H213 WeakPolarHBondContact CG2-CD2 3.48Å
204	K	86.1	Confident	85.6	Confident	151 Å²	151	80.1 Å²	80.1	66%	0.657	45%	0.447	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.7	127.4	172.9	-70	-178.9	-179.8	178.2	0	110	K209 L210	K204-K209 WeakPolarHBondContact CA-O 3.41Å; K204-L210 HydrophobicContact CG-CD2 3.81Å
205	N	82.2	Confident	85.6	Confident	81 Å²	81	79.9 Å²	79.9	43%	0.433	44%	0.443	S	S	.	.			trans	-72.7	175	170.5	-93.4	3	0	0	0	112.4	E207 G208 K209 V211	N205-E207 PolarHBondContact O-N 3.31Å; N205-E207 VanDerWaalsContact O-N 3.13Å; N205-G208 WeakPolarHBondContact O-CA 3.42Å; N205-G208 PolarHBondContact O-N 3Å; N205-K209 PolarHBondContact N-O 3.32Å; N205-V211 HydrophobicContact CB-CG1 4.29Å; N205-V211 HydrophobicContact CB-CG2 4.3Å; N205-V211 VanDerWaalsContact CG-CG2 3.43Å; N205-V211 WeakPolarHBondContact ND2-CG1 3.46Å; N205-V211 WeakPolarHBondContact OD1-CG2 3.48Å
206	A	79.2	Confident	85.5	Confident	103 Å²	103	80.6 Å²	80.6	85%	0.851	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-28.2	177.9	0	0	0	0	0	113.1	G208	A206-G208 VanDerWaalsContact C-N 3.32Å
207	E	78.6	Confident	85.5	Confident	156 Å²	156	85.1 Å²	85.1	73%	0.729	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	7.6	176.6	-53.6	73.4	-155.1	0	0	113.3	N205 K209	N205-E207 PolarHBondContact O-N 3.31Å; N205-E207 VanDerWaalsContact O-N 3.13Å; E207-K209 PolarHBondContact O-N 2.97Å
208	G	78.4	Confident	85.7	Confident	48 Å²	48	83 Å²	83	50%	0.495	46%	0.457	S	S	.	.	S	Bend	trans	75.2	1.9	179.4	0	0	0	0	0	115.5	N205 A206	N205-G208 WeakPolarHBondContact O-CA 3.42Å; N205-G208 PolarHBondContact O-N 3Å; A206-G208 VanDerWaalsContact C-N 3.32Å
209	K	80.1	Confident	85.8	Confident	125 Å²	125	83.1 Å²	83.1	54%	0.543	46%	0.458	S	S	.	.			trans	-78.4	137.1	177.4	-166.1	176.5	-178.3	-179.2	0	110.8	K204 N205 E207 V211	K204-K209 WeakPolarHBondContact CA-O 3.41Å; N205-K209 PolarHBondContact N-O 3.32Å; E207-K209 PolarHBondContact O-N 2.97Å; K209-V211 PolarHBondContact O-N 3.07Å
210	L	79.9	Confident	86	Confident	77 Å²	77	80.3 Å²	80.3	40%	0.403	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	129.2	173.1	-67.3	170.8	0	0	0	110.2	P199 Q202 K204	P199-L210 HydrophobicContact CB-CD1 4.42Å; Q202-L210 HydrophobicContact CB-CB 4.14Å; Q202-L210 HydrophobicContact CB-CD2 4.14Å; K204-L210 HydrophobicContact CG-CD2 3.81Å
211	V	82.8	Confident	86.2	Confident	38 Å²	38	74.8 Å²	74.8	23%	0.23	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	163.3	176.5	-65.4	0	0	0	0	111.2	Q202 V203 N205 K209	Q202-V211 CarbonylContact C-O 3.59Å; Q202-V211 WeakPolarHBondContact CA-O 3.36Å; Q202-V211 VanDerWaalsContact CB-O 3.25Å; Q202-V211 WeakPolarHBondContact CB-O 3.28Å; V203-V211 PolarHBondContact N-O 2.95Å; V203-V211 WeakPolarHBondContact O-CG2 3.49Å; V203-V211 PolarHBondContact O-N 3.03Å; N205-V211 HydrophobicContact CB-CG1 4.29Å; N205-V211 HydrophobicContact CB-CG2 4.3Å; N205-V211 VanDerWaalsContact CG-CG2 3.43Å; N205-V211 WeakPolarHBondContact ND2-CG1 3.46Å; N205-V211 WeakPolarHBondContact OD1-CG2 3.48Å; K209-V211 PolarHBondContact O-N 3.07Å
212	E	83.9	Confident	86.6	Confident	35 Å²	35	75 Å²	75	16%	0.164	42%	0.421	C	S	.	.			trans	-60.1	138.4	178.1	-67.5	167.7	-158.2	0	0	110.2	R288 R291	E212-R288 IonicContact OE1-CZ 2.99Å; E212-R288 IonicContact OE1-NH1 2.71Å; E212-R288 PolarHBondContact OE1-NH1 3.42Å; E212-R291 IonicContact OE1-NH1 3.5Å; E212-R291 IonicContact OE2-NH1 3.94Å
213	H	88.6	Confident	86.8	Confident	69 Å²	69	73.1 Å²	73.1	32%	0.319	41%	0.412	S	S	.	.			trans	-64.6	136.2	178.4	-170.1	-78.8	0	0	0	109.8	V203 T215 M216 E217	V203-H213 HydrophobicContact CG2-CB 4.21Å; V203-H213 WeakPolarHBondContact CG2-CD2 3.48Å; H213-T215 PolarHBondContact CE1-OG1 2.78Å; H213-T215 VanDerWaalsContact CE1-OG1 3.28Å; H213-T215 PolarHBondContact ND1-N 3.36Å; H213-T215 PolarHBondContact ND1-OG1 3.04Å; H213-T215 PolarHBondContact O-N 3.25Å; H213-T215 VanDerWaalsContact O-N 3.08Å; H213-M216 HydrophobicContact CB-CG 4.21Å; H213-M216 WeakPolarHBondContact O-CB 3.27Å; H213-M216 PolarHBondContact O-N 3.06Å; H213-E217 PolarHBondContact O-N 3.12Å; H213-E217 VanDerWaalsContact O-N 3.11Å
214	P	88.6	Confident	87	Confident	81 Å²	81	70.2 Å²	70.2	53%	0.526	40%	0.395	S	S	.	.	H	α-helix	trans	-58.7	-30.3	-173.3	21.1	-34.3	0	0	0	113.7	A218	P214-A218 WeakPolarHBondContact O-CB 3.34Å; P214-A218 PolarHBondContact O-N 3.43Å
215	T	90.2	Very high	87.4	Confident	71 Å²	71	67.3 Å²	67.3	44%	0.436	39%	0.386	S	S	.	.	H	α-helix	trans	-69.4	-36.7	174.5	61.7	0	0	0	0	112.9	H213 A218 I219	H213-T215 PolarHBondContact CE1-OG1 2.78Å; H213-T215 VanDerWaalsContact CE1-OG1 3.28Å; H213-T215 PolarHBondContact ND1-N 3.36Å; H213-T215 PolarHBondContact ND1-OG1 3.04Å; H213-T215 PolarHBondContact O-N 3.25Å; H213-T215 VanDerWaalsContact O-N 3.08Å; T215-A218 PolarHBondContact O-N 3.45Å; T215-I219 VanDerWaalsContact O-CG1 3.27Å; T215-I219 WeakPolarHBondContact O-CG1 3.32Å; T215-I219 PolarHBondContact O-N 3.01Å
216	M	89.9	Confident	88.1	Confident	50 Å²	50	68.4 Å²	68.4	25%	0.246	38%	0.384	C	S	.	.	H	α-helix	trans	-69.8	-40.7	177.6	-64.3	-61	150.9	0	0	110.4	V192 V195 S196 H213 A218 I219 E220	V192-M216 HydrophobicContact CG1-CB 4.22Å; V192-M216 HydrophobicContact CG1-SD 4.29Å; V195-M216 HydrophobicContact CG1-CE 4.26Å; V195-M216 HydrophobicContact CG1-SD 4.13Å; S196-M216 WeakPolarHBondContact OG-CB 2.9Å; H213-M216 HydrophobicContact CB-CG 4.21Å; H213-M216 WeakPolarHBondContact O-CB 3.27Å; H213-M216 PolarHBondContact O-N 3.06Å; M216-A218 VanDerWaalsContact C-N 3.34Å; M216-A218 PolarHBondContact O-N 2.88Å; M216-I219 PolarHBondContact O-N 3.34Å; M216-I219 HydrophobicContact SD-CD1 4.47Å; M216-E220 WeakPolarHBondContact O-CB 3.29Å; M216-E220 PolarHBondContact O-N 3.02Å
217	E	87.9	Confident	88.9	Confident	107 Å²	107	63.6 Å²	63.6	50%	0.5	34%	0.344	S	S	.	.	H	α-helix	trans	-61.7	-40.6	172.8	-173.5	175.9	-167.9	0	0	111.9	H213 E220 T221	H213-E217 PolarHBondContact O-N 3.12Å; H213-E217 VanDerWaalsContact O-N 3.11Å; E217-E220 PolarHBondContact O-N 3.44Å; E217-T221 WeakPolarHBondContact O-CB 3.2Å; E217-T221 PolarHBondContact O-N 2.86Å; E217-T221 PolarHBondContact O-OG1 2.81Å
218	A	91.8	Very high	89.7	Confident	54 Å²	54	57.2 Å²	57.2	45%	0.446	32%	0.316	S	S	.	.	H	α-helix	trans	-63.1	-45.4	175.3	0	0	0	0	0	112.1	P214 T215 M216 T221 V222	P214-A218 WeakPolarHBondContact O-CB 3.34Å; P214-A218 PolarHBondContact O-N 3.43Å; T215-A218 PolarHBondContact O-N 3.45Å; M216-A218 VanDerWaalsContact C-N 3.34Å; M216-A218 PolarHBondContact O-N 2.88Å; A218-T221 WeakPolarHBondContact O-CB 3.26Å; A218-T221 PolarHBondContact O-N 3.04Å; A218-V222 WeakPolarHBondContact O-CG2 3.21Å; A218-V222 PolarHBondContact O-N 2.95Å
219	I	93.4	Very high	90.5	Very high	69 Å²	69	58.5 Å²	58.5	35%	0.354	32%	0.315	S	S	.	.	H	α-helix	trans	-64.3	-42.2	177.1	-63	162.7	0	0	0	110.7	V188 V192 T215 M216 T221 V222 C223	V188-I219 HydrophobicContact CG1-CG2 4.03Å; V192-I219 HydrophobicContact CG2-CB 4.31Å; V192-I219 HydrophobicContact CG2-CG2 3.7Å; T215-I219 VanDerWaalsContact O-CG1 3.27Å; T215-I219 WeakPolarHBondContact O-CG1 3.32Å; T215-I219 PolarHBondContact O-N 3.01Å; M216-I219 PolarHBondContact O-N 3.34Å; M216-I219 HydrophobicContact SD-CD1 4.47Å; I219-T221 VanDerWaalsContact C-N 3.31Å; I219-T221 PolarHBondContact O-N 3.24Å; I219-V222 PolarHBondContact O-N 3.48Å; I219-C223 PolarHBondContact O-N 2.84Å; I219-C223 PolarHBondContact O-SG 3.33Å
220	E	91.1	Very high	91.2	Very high	10 Å²	10	52.7 Å²	52.7	5%	0.047	29%	0.289	C	S	.	.	H	α-helix	trans	-60.4	-43.6	175.9	-174.9	171.4	-179.6	0	0	111	V192 M216 E217 V222 C223 M224 R291 R294	V192-E220 HydrophobicContact CG1-CB 4.35Å; M216-E220 WeakPolarHBondContact O-CB 3.29Å; M216-E220 PolarHBondContact O-N 3.02Å; E217-E220 PolarHBondContact O-N 3.44Å; E220-V222 PolarHBondContact O-N 2.87Å; E220-C223 WeakPolarHBondContact O-CB 3.09Å; E220-C223 PolarHBondContact O-N 3.27Å; E220-M224 HydrophobicContact CG-CE 4.41Å; E220-M224 WeakPolarHBondContact O-CG 3.24Å; E220-M224 PolarHBondContact O-N 3.37Å; E220-R291 VanDerWaalsContact CD-NH1 3.35Å; E220-R291 WeakPolarHBondContact OE1-CD 3.36Å; E220-R291 IonicContact OE1-CZ 2.85Å; E220-R291 IonicContact OE1-NE 2.65Å; E220-R291 IonicContact OE1-NH1 3.49Å; E220-R291 PolarHBondContact OE1-NH1 3.35Å; E220-R291 IonicContact OE2-NH1 2.94Å; E220-R291 PolarHBondContact OE2-NH1 3.13Å; E220-R294 IonicContact OE1-CZ 3.71Å; E220-R294 IonicContact OE1-NH1 2.74Å; E220-R294 PolarHBondContact OE1-NH1 2.72Å; E220-R294 IonicContact OE1-NH2 3.35Å; E220-R294 PolarHBondContact OE1-NH2 3.16Å
221	T	91.8	Very high	91.8	Very high	45 Å²	45	50.4 Å²	50.4	28%	0.276	28%	0.276	S	S	.	.	H	α-helix	trans	-60.1	-44.6	175.8	-58.7	0	0	0	0	111.4	E217 A218 I219 C223 M224 L225 F260	E217-T221 WeakPolarHBondContact O-CB 3.2Å; E217-T221 PolarHBondContact O-N 2.86Å; E217-T221 PolarHBondContact O-OG1 2.81Å; A218-T221 WeakPolarHBondContact O-CB 3.26Å; A218-T221 PolarHBondContact O-N 3.04Å; I219-T221 VanDerWaalsContact C-N 3.31Å; I219-T221 PolarHBondContact O-N 3.24Å; T221-C223 VanDerWaalsContact C-N 3.35Å; T221-C223 PolarHBondContact O-N 3.49Å; T221-M224 PolarHBondContact O-N 3.06Å; T221-L225 HydrophobicContact CG2-CD1 4.34Å; T221-L225 VanDerWaalsContact O-CG 3.31Å; T221-L225 WeakPolarHBondContact O-CG 3.18Å; T221-L225 PolarHBondContact O-N 3.01Å; T221-F260 HydrophobicContact CG2-CE2 4.26Å; T221-F260 HydrophobicContact CG2-CZ 4.12Å
222	V	95	Very high	92.4	Very high	96 Å²	96	52.3 Å²	52.3	58%	0.582	29%	0.288	S	S	*	.	H	α-helix	trans	-61.3	-42.9	175.5	171.8	0	0	0	0	111.4	A218 I219 E220 M224 L225 W226	A218-V222 WeakPolarHBondContact O-CG2 3.21Å; A218-V222 PolarHBondContact O-N 2.95Å; I219-V222 PolarHBondContact O-N 3.48Å; E220-V222 PolarHBondContact O-N 2.87Å; V222-M224 PolarHBondContact O-N 3.16Å; V222-L225 PolarHBondContact O-N 3.44Å; V222-W226 PolarHBondContact O-N 2.85Å
223	C	94.4	Very high	92.8	Very high	9 Å²	9	53.7 Å²	53.7	6%	0.061	30%	0.296	C	S	.	.	H	α-helix	trans	-63.6	-40.7	175.9	-64.7	0	0	0	0	111.9	I219 E220 T221 W226 F227	I219-C223 PolarHBondContact O-N 2.84Å; I219-C223 PolarHBondContact O-SG 3.33Å; E220-C223 WeakPolarHBondContact O-CB 3.09Å; E220-C223 PolarHBondContact O-N 3.27Å; T221-C223 VanDerWaalsContact C-N 3.35Å; T221-C223 PolarHBondContact O-N 3.49Å; C223-W226 WeakPolarHBondContact O-CB 3.12Å; C223-W226 PolarHBondContact O-N 3.32Å; C223-F227 WeakPolarHBondContact O-CG 3.36Å; C223-F227 PolarHBondContact O-N 3.13Å
224	M	93.4	Very high	93	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-64.3	-43.5	176	-68.5	-51.5	106.5	0	0	111.2	E220 T221 V222 W226 F227 T228 F260 R294	E220-M224 HydrophobicContact CG-CE 4.41Å; E220-M224 WeakPolarHBondContact O-CG 3.24Å; E220-M224 PolarHBondContact O-N 3.37Å; T221-M224 PolarHBondContact O-N 3.06Å; V222-M224 PolarHBondContact O-N 3.16Å; M224-W226 VanDerWaalsContact C-N 3.29Å; M224-W226 PolarHBondContact O-N 2.88Å; M224-F227 HydrophobicContact CE-CD2 3.81Å; M224-F227 HydrophobicContact CE-CE2 3.84Å; M224-F227 PolarHBondContact O-N 2.9Å; M224-F227 HydrophobicContact SD-CD2 4.32Å; M224-T228 WeakPolarHBondContact O-CB 3.34Å; M224-T228 PolarHBondContact O-N 2.99Å; M224-T228 PolarHBondContact O-OG1 3.47Å; M224-F260 HydrophobicContact CB-CD1 4.42Å; M224-F260 HydrophobicContact CB-CD2 4.26Å; M224-F260 HydrophobicContact CB-CG 4.15Å; M224-F260 HydrophobicContact CG-CB 4.03Å; M224-F260 HydrophobicContact CG-CD2 3.91Å; M224-F260 HydrophobicContact CG-CG 3.97Å; M224-F260 HydrophobicContact SD-CB 4.39Å; M224-R294 VanDerWaalsContact CE-NE 3.3Å
225	L	94.9	Very high	93.2	Very high	90 Å²	90	49.6 Å²	49.6	47%	0.471	27%	0.271	S	S	.	.	H	α-helix	trans	-60.6	-39.7	175.5	-70.1	174.2	0	0	0	111.8	T221 V222 T229	T221-L225 HydrophobicContact CG2-CD1 4.34Å; T221-L225 VanDerWaalsContact O-CG 3.31Å; T221-L225 WeakPolarHBondContact O-CG 3.18Å; T221-L225 PolarHBondContact O-N 3.01Å; V222-L225 PolarHBondContact O-N 3.44Å; L225-T229 WeakPolarHBondContact O-CB 3.4Å; L225-T229 PolarHBondContact O-N 3.04Å; L225-T229 PolarHBondContact O-OG1 3.14Å
226	W	95.9	Very high	93.2	Very high	103 Å²	103	49 Å²	49	39%	0.39	27%	0.273	S	S	.	.	H	α-helix	trans	-60.5	-51.3	172.4	-178.3	-90.9	0	0	0	111.2	A181 S185 V222 C223 M224 T228 T229 E230	A181-W226 HydrophobicContact CB-CH2 4.41Å; A181-W226 HydrophobicContact CB-CZ2 4.04Å; S185-W226 VanDerWaalsContact OG-CD1 3.24Å; S185-W226 PolarHBondContact OG-NE1 3.39Å; V222-W226 PolarHBondContact O-N 2.85Å; C223-W226 WeakPolarHBondContact O-CB 3.12Å; C223-W226 PolarHBondContact O-N 3.32Å; M224-W226 VanDerWaalsContact C-N 3.29Å; M224-W226 PolarHBondContact O-N 2.88Å; W226-T228 VanDerWaalsContact C-N 3.35Å; W226-T228 PolarHBondContact O-N 3.41Å; W226-T229 WeakPolarHBondContact O-CB 3.38Å; W226-T229 PolarHBondContact O-N 2.94Å; W226-E230 WeakPolarHBondContact O-CB 3.42Å; W226-E230 PolarHBondContact O-N 3.46Å
227	F	95.5	Very high	93.1	Very high	2 Å²	2	46.7 Å²	46.7	1%	0.009	26%	0.262	C	S	.	.	H	α-helix	trans	-61.9	-39.4	179.1	-65.1	-20.7	0	0	0	113.3	S185 I186 C223 M224 E230 F231 I257 K297	S185-F227 WeakPolarHBondContact OG-CE1 3.27Å; I186-F227 HydrophobicContact CB-CZ 4.4Å; I186-F227 HydrophobicContact CG1-CE1 3.76Å; I186-F227 HydrophobicContact CG1-CZ 3.79Å; C223-F227 WeakPolarHBondContact O-CG 3.36Å; C223-F227 PolarHBondContact O-N 3.13Å; M224-F227 HydrophobicContact CE-CD2 3.81Å; M224-F227 HydrophobicContact CE-CE2 3.84Å; M224-F227 PolarHBondContact O-N 2.9Å; M224-F227 HydrophobicContact SD-CD2 4.32Å; F227-E230 WeakPolarHBondContact O-CB 3.39Å; F227-E230 PolarHBondContact O-N 3.43Å; F227-F231 WeakPolarHBondContact O-CB 3.19Å; F227-F231 PolarHBondContact O-N 3.47Å; F227-I257 HydrophobicContact CB-CG2 3.56Å; F227-K297 HydrophobicContact CD1-CD 4.43Å; F227-K297 HydrophobicContact CE1-CD 4.48Å
228	T	95.9	Very high	93	Very high	22 Å²	22	41.7 Å²	41.7	14%	0.135	24%	0.239	C	C	.	.	H	α-helix	trans	-62.6	-47.5	174.2	-59.6	0	0	0	0	110.4	M224 W226 E230 F231 V232 Y261	M224-T228 WeakPolarHBondContact O-CB 3.34Å; M224-T228 PolarHBondContact O-N 2.99Å; M224-T228 PolarHBondContact O-OG1 3.47Å; W226-T228 VanDerWaalsContact C-N 3.35Å; W226-T228 PolarHBondContact O-N 3.41Å; T228-E230 VanDerWaalsContact C-N 3.26Å; T228-E230 PolarHBondContact O-N 3.43Å; T228-F231 PolarHBondContact O-N 3.32Å; T228-V232 HydrophobicContact CG2-CG2 4.04Å; T228-V232 WeakPolarHBondContact O-CB 3.42Å; T228-V232 VanDerWaalsContact O-CG2 3.26Å; T228-V232 WeakPolarHBondContact O-CG2 3.28Å; T228-V232 PolarHBondContact O-N 3.49Å; T228-Y261 WeakPolarHBondContact CB-OH 3.43Å; T228-Y261 HydrophobicContact CG2-CE2 4.22Å; T228-Y261 WeakPolarHBondContact CG2-OH 3.48Å; T228-Y261 VanDerWaalsContact OG1-CE2 3.28Å; T228-Y261 WeakPolarHBondContact OG1-CE2 3.38Å; T228-Y261 PolarHBondContact OG1-OH 2.83Å
229	T	95.1	Very high	92.5	Very high	76 Å²	76	44.2 Å²	44.2	47%	0.466	25%	0.251	S	S	.	.	H	α-helix	trans	-58.6	-44.5	178	-58	0	0	0	0	110	L225 W226 V232 L233	L225-T229 WeakPolarHBondContact O-CB 3.4Å; L225-T229 PolarHBondContact O-N 3.04Å; L225-T229 PolarHBondContact O-OG1 3.14Å; W226-T229 WeakPolarHBondContact O-CB 3.38Å; W226-T229 PolarHBondContact O-N 2.94Å; T229-V232 PolarHBondContact O-N 2.53Å; T229-L233 HydrophobicContact CG2-CD1 3.76Å; T229-L233 HydrophobicContact CG2-CG 4.19Å; T229-L233 VanDerWaalsContact O-CB 3.3Å; T229-L233 WeakPolarHBondContact O-CB 3.28Å; T229-L233 WeakPolarHBondContact O-CG 3.39Å; T229-L233 PolarHBondContact O-N 2.84Å
230	E	94.6	Very high	92.1	Very high	3 Å²	3	44.9 Å²	44.9	1%	0.014	26%	0.255	C	S	.	.	H	α-helix	trans	-59	-49.4	176.6	-146.3	-169.2	124.4	0	0	112.1	M166 W226 F227 T228 R234 K297	M166-E230 HydrophobicContact CE-CB 4.26Å; M166-E230 HydrophobicContact CE-CG 3.57Å; W226-E230 WeakPolarHBondContact O-CB 3.42Å; W226-E230 PolarHBondContact O-N 3.46Å; F227-E230 WeakPolarHBondContact O-CB 3.39Å; F227-E230 PolarHBondContact O-N 3.43Å; T228-E230 VanDerWaalsContact C-N 3.26Å; T228-E230 PolarHBondContact O-N 3.43Å; E230-R234 VanDerWaalsContact CD-NH1 3.32Å; E230-R234 VanDerWaalsContact CG-NH1 3.3Å; E230-R234 WeakPolarHBondContact O-CG 3.25Å; E230-R234 PolarHBondContact O-N 3.41Å; E230-R234 IonicContact OE1-CZ 3.85Å; E230-R234 IonicContact OE1-NH1 3.75Å; E230-R234 PolarHBondContact OE1-NH1 3.34Å; E230-R234 IonicContact OE1-NH2 2.84Å; E230-R234 PolarHBondContact OE1-NH2 2.98Å; E230-K297 WeakPolarHBondContact OE1-CE 3.46Å; E230-K297 IonicContact OE1-NZ 3.12Å; E230-K297 PolarHBondContact OE1-NZ 3.23Å; E230-K297 IonicContact OE2-NZ 2.98Å; E230-K297 PolarHBondContact OE2-NZ 3.22Å
231	F	94.1	Very high	91.9	Very high	29 Å²	29	48.6 Å²	48.6	13%	0.127	27%	0.271	C	S	.	.	H	α-helix	trans	-64.3	-44.9	178.9	179.1	-99.8	0	0	0	111.9	F227 T228 R234 L235 F244 D253 F254 I257	F227-F231 WeakPolarHBondContact O-CB 3.19Å; F227-F231 PolarHBondContact O-N 3.47Å; T228-F231 PolarHBondContact O-N 3.32Å; F231-R234 PolarHBondContact O-N 3.36Å; F231-L235 HydrophobicContact CE1-CD2 4.28Å; F231-L235 VanDerWaalsContact O-CB 3.29Å; F231-L235 WeakPolarHBondContact O-CB 3.22Å; F231-L235 PolarHBondContact O-N 3.31Å; F231-F244 HydrophobicContact CE2-CE1 4.08Å; F231-F244 HydrophobicContact CZ-CE1 4.5Å; F231-D253 HydrophobicContact CD2-CB 3.87Å; F231-D253 HydrophobicContact CE2-CB 4.45Å; F231-F254 HydrophobicContact CE1-CD2 4.43Å; F231-F254 HydrophobicContact CE2-CB 4.06Å; F231-F254 HydrophobicContact CZ-CB 4.16Å; F231-F254 HydrophobicContact CZ-CD2 4.19Å; F231-I257 HydrophobicContact CB-CD1 4.25Å; F231-I257 HydrophobicContact CD1-CD1 3.93Å; F231-I257 HydrophobicContact CG-CD1 4.13Å
232	V	94.3	Very high	91.7	Very high	78 Å²	78	51.2 Å²	51.2	47%	0.473	29%	0.287	S	S	.	.	H	α-helix	trans	-65.6	-43.4	178.8	171	0	0	0	0	110.8	T228 T229 R234 L235 A236	T228-V232 HydrophobicContact CG2-CG2 4.04Å; T228-V232 WeakPolarHBondContact O-CB 3.42Å; T228-V232 VanDerWaalsContact O-CG2 3.26Å; T228-V232 WeakPolarHBondContact O-CG2 3.28Å; T228-V232 PolarHBondContact O-N 3.49Å; T229-V232 PolarHBondContact O-N 2.53Å; V232-R234 VanDerWaalsContact C-N 3.34Å; V232-R234 PolarHBondContact O-N 2.96Å; V232-L235 PolarHBondContact O-N 3.04Å; V232-A236 WeakPolarHBondContact O-CB 3.4Å; V232-A236 PolarHBondContact O-N 2.98Å
233	L	93	Very high	91.3	Very high	63 Å²	63	56 Å²	56	33%	0.33	29%	0.294	S	S	.	.	H	α-helix	trans	-63.5	-40.5	176.8	-70.4	173.3	0	0	0	111.2	L162 M166 T229 A236 S237	L162-L233 HydrophobicContact CD2-CB 4.14Å; L162-L233 HydrophobicContact CD2-CD2 3.96Å; M166-L233 HydrophobicContact CE-CB 4.04Å; M166-L233 HydrophobicContact CE-CD1 4.27Å; M166-L233 HydrophobicContact CG-CB 4.48Å; M166-L233 HydrophobicContact SD-CD1 4.38Å; T229-L233 HydrophobicContact CG2-CD1 3.76Å; T229-L233 HydrophobicContact CG2-CG 4.19Å; T229-L233 VanDerWaalsContact O-CB 3.3Å; T229-L233 WeakPolarHBondContact O-CB 3.28Å; T229-L233 WeakPolarHBondContact O-CG 3.39Å; T229-L233 PolarHBondContact O-N 2.84Å; L233-A236 PolarHBondContact O-N 3.26Å; L233-S237 WeakPolarHBondContact O-CB 3.46Å; L233-S237 PolarHBondContact O-N 3.28Å; L233-S237 PolarHBondContact O-OG 2.84Å
234	R	91.9	Very high	91.1	Very high	5 Å²	5	56 Å²	56	2%	0.019	29%	0.293	C	S	.	.	H	α-helix	trans	-66.5	-43.8	173.6	-73.7	-166	-169.9	96.5	11.7	112.6	M166 E167 E230 F231 V232 A236 S237 S238 F244 D253	M166-R234 HydrophobicContact CB-CG 3.91Å; M166-R234 HydrophobicContact CE-CG 4.29Å; M166-R234 PolarHBondContact O-NE 3.39Å; M166-R234 PolarHBondContact O-NH2 3.19Å; E167-R234 WeakPolarHBondContact OE2-CD 3.38Å; E167-R234 IonicContact OE2-NE 3.84Å; E230-R234 VanDerWaalsContact CD-NH1 3.32Å; E230-R234 VanDerWaalsContact CG-NH1 3.3Å; E230-R234 WeakPolarHBondContact O-CG 3.25Å; E230-R234 PolarHBondContact O-N 3.41Å; E230-R234 IonicContact OE1-CZ 3.85Å; E230-R234 IonicContact OE1-NH1 3.75Å; E230-R234 PolarHBondContact OE1-NH1 3.34Å; E230-R234 IonicContact OE1-NH2 2.84Å; E230-R234 PolarHBondContact OE1-NH2 2.98Å; F231-R234 PolarHBondContact O-N 3.36Å; V232-R234 VanDerWaalsContact C-N 3.34Å; V232-R234 PolarHBondContact O-N 2.96Å; R234-A236 VanDerWaalsContact C-N 3.31Å; R234-A236 PolarHBondContact O-N 2.97Å; R234-S237 WeakPolarHBondContact CA-OG 3.27Å; R234-S237 PolarHBondContact O-N 3.08Å; R234-S237 PolarHBondContact O-OG 3.27Å; R234-S238 WeakPolarHBondContact O-CB 3.38Å; R234-S238 PolarHBondContact O-N 3Å; R234-F244 HydrophobicContact CB-CE2 3.79Å; R234-F244 HydrophobicContact CB-CZ 3.59Å; R234-D253 IonicContact NH1-OD2 3.05Å
235	L	92.3	Very high	90.8	Very high	60 Å²	60	58.7 Å²	58.7	31%	0.314	32%	0.316	S	S	.	.	H	α-helix	trans	-62.6	-41.3	176.5	-178.7	63.6	0	0	0	110.6	F231 V232 S238 K241 F244	F231-L235 HydrophobicContact CE1-CD2 4.28Å; F231-L235 VanDerWaalsContact O-CB 3.29Å; F231-L235 WeakPolarHBondContact O-CB 3.22Å; F231-L235 PolarHBondContact O-N 3.31Å; V232-L235 PolarHBondContact O-N 3.04Å; L235-S238 PolarHBondContact O-OG 3.22Å; L235-K241 HydrophobicContact CD1-CB 4.48Å; L235-K241 HydrophobicContact CD1-CD 4.32Å; L235-K241 WeakPolarHBondContact O-CD 3.4Å; L235-K241 WeakPolarHBondContact O-CE 3.45Å; L235-K241 PolarHBondContact O-NZ 3.17Å; L235-F244 HydrophobicContact CB-CD1 4.45Å; L235-F244 HydrophobicContact CB-CE1 4.01Å; L235-F244 HydrophobicContact CD1-CD1 3.59Å; L235-F244 HydrophobicContact CD1-CE1 3.95Å; L235-F244 HydrophobicContact CD1-CG 4.5Å
236	A	90.3	Very high	90.5	Very high	58 Å²	58	60.5 Å²	60.5	48%	0.479	33%	0.325	S	S	.	.	H	α-helix	trans	-69.3	-38.4	178.2	0	0	0	0	0	112.2	V232 L233 R234 K241	V232-A236 WeakPolarHBondContact O-CB 3.4Å; V232-A236 PolarHBondContact O-N 2.98Å; L233-A236 PolarHBondContact O-N 3.26Å; R234-A236 VanDerWaalsContact C-N 3.31Å; R234-A236 PolarHBondContact O-N 2.97Å; A236-K241 VanDerWaalsContact C-NZ 3.29Å; A236-K241 PolarHBondContact O-NZ 2.92Å
237	S	88.6	Confident	90.1	Very high	2 Å²	2	58 Å²	58	1%	0.014	32%	0.324	C	S	.	.	H	α-helix	trans	-80.4	-19.5	178.8	52.2	0	0	0	0	114.9	Q159 L233 R234	Q159-S237 VanDerWaalsContact CG-O 3.29Å; Q159-S237 WeakPolarHBondContact CG-O 3.5Å; Q159-S237 PolarHBondContact NE2-O 3.35Å; Q159-S237 VanDerWaalsContact NE2-O 3.16Å; Q159-S237 WeakPolarHBondContact O-CB 3.36Å; L233-S237 WeakPolarHBondContact O-CB 3.46Å; L233-S237 PolarHBondContact O-N 3.28Å; L233-S237 PolarHBondContact O-OG 2.84Å; R234-S237 WeakPolarHBondContact CA-OG 3.27Å; R234-S237 PolarHBondContact O-N 3.08Å; R234-S237 PolarHBondContact O-OG 3.27Å
238	S	86.3	Confident	89.7	Confident	1 Å²	1	62.7 Å²	62.7	1%	0.007	35%	0.347	C	S	.	.			trans	-62.3	138.6	-176.7	66.6	0	0	0	0	113.1	Q159 W163 R234 L235 K241	Q159-S238 PolarHBondContact NE2-O 3.39Å; W163-S238 VanDerWaalsContact CE3-CA 3.49Å; W163-S238 VanDerWaalsContact CZ3-CA 3.46Å; W163-S238 VanDerWaalsContact CZ3-CB 3.43Å; R234-S238 WeakPolarHBondContact O-CB 3.38Å; R234-S238 PolarHBondContact O-N 3Å; L235-S238 PolarHBondContact O-OG 3.22Å; S238-K241 PolarHBondContact O-NZ 2.97Å; S238-K241 VanDerWaalsContact OG-CD 3.26Å; S238-K241 WeakPolarHBondContact OG-CD 3.33Å
239	P	81	Confident	89.3	Confident	108 Å²	108	63.5 Å²	63.5	70%	0.701	35%	0.35	S	S	*	.	S	Bend	trans	-69.7	-35.7	-180	24.9	-32.8	0	0	0	112.4
240	N	83.9	Confident	89.2	Confident	83 Å²	83	60.2 Å²	60.2	44%	0.444	33%	0.33	S	S	.	.			trans	-127.7	111.1	177	-176.1	-31.3	0	0	0	110.2	V242 R243 F244	N240-V242 PolarHBondContact O-N 3.13Å; N240-V242 PolarHBondContact OD1-N 2.92Å; N240-V242 VanDerWaalsContact OD1-N 3.12Å; N240-R243 HydrophobicContact CB-CB 4.09Å; N240-R243 PolarHBondContact OD1-N 2.98Å; N240-R243 VanDerWaalsContact OD1-N 3.11Å; N240-F244 VanDerWaalsContact O-CB 3.26Å; N240-F244 WeakPolarHBondContact O-CB 3.45Å; N240-F244 PolarHBondContact O-N 3.38Å
241	K	88.3	Confident	89.1	Confident	88 Å²	88	63.9 Å²	63.9	38%	0.383	35%	0.349	S	S	.	.	H	α-helix	trans	-67.3	-36.1	-174.3	-50.5	-50.3	-172.6	-162.5	0	113.1	L235 A236 S238 F244 A245	L235-K241 HydrophobicContact CD1-CB 4.48Å; L235-K241 HydrophobicContact CD1-CD 4.32Å; L235-K241 WeakPolarHBondContact O-CD 3.4Å; L235-K241 WeakPolarHBondContact O-CE 3.45Å; L235-K241 PolarHBondContact O-NZ 3.17Å; A236-K241 VanDerWaalsContact C-NZ 3.29Å; A236-K241 PolarHBondContact O-NZ 2.92Å; S238-K241 PolarHBondContact O-NZ 2.97Å; S238-K241 VanDerWaalsContact OG-CD 3.26Å; S238-K241 WeakPolarHBondContact OG-CD 3.33Å; K241-F244 WeakPolarHBondContact O-CB 3.45Å; K241-F244 PolarHBondContact O-N 2.84Å; K241-A245 WeakPolarHBondContact O-CB 3.32Å; K241-A245 PolarHBondContact O-N 3.06Å
242	V	87.3	Confident	88.9	Confident	99 Å²	99	64.4 Å²	64.4	60%	0.6	35%	0.353	S	S	*	.	H	α-helix	trans	-71.4	-48.3	-178.6	179.2	0	0	0	0	110.1	N240 F244 A245 L246	N240-V242 PolarHBondContact O-N 3.13Å; N240-V242 PolarHBondContact OD1-N 2.92Å; N240-V242 VanDerWaalsContact OD1-N 3.12Å; V242-F244 PolarHBondContact O-N 2.77Å; V242-A245 PolarHBondContact O-N 3.37Å; V242-L246 HydrophobicContact CG1-CD1 4Å; V242-L246 WeakPolarHBondContact O-CG 3.49Å; V242-L246 PolarHBondContact O-N 3.09Å
243	R	86.7	Confident	88.9	Confident	196 Å²	196	61 Å²	61	74%	0.74	33%	0.331	S	S	*	.	H	α-helix	trans	-61.4	-36.7	175.4	-171.9	175.4	-178.6	-178.4	-0.1	111.3	N240 S247	N240-R243 HydrophobicContact CB-CB 4.09Å; N240-R243 PolarHBondContact OD1-N 2.98Å; N240-R243 VanDerWaalsContact OD1-N 3.11Å; R243-S247 PolarHBondContact O-N 3.2Å
244	F	89.2	Confident	88.9	Confident	10 Å²	10	62.9 Å²	62.9	4%	0.044	34%	0.337	C	S	.	.	H	α-helix	trans	-61.5	-53.2	172.9	-180	-88.9	0	0	0	111.1	W163 F231 R234 L235 N240 K241 V242 L246 S247 N250	W163-F244 AromaticContact CH2-CD2 3.85Å; W163-F244 HydrophobicContact CH2-CD2 3.85Å; W163-F244 HydrophobicContact CH2-CE2 4.08Å; W163-F244 AromaticContact CZ3-CD2 3.93Å; W163-F244 HydrophobicContact CZ3-CD2 3.93Å; W163-F244 AromaticContact CZ3-CE2 3.93Å; W163-F244 HydrophobicContact CZ3-CE2 3.93Å; F231-F244 HydrophobicContact CE2-CE1 4.08Å; F231-F244 HydrophobicContact CZ-CE1 4.5Å; R234-F244 HydrophobicContact CB-CE2 3.79Å; R234-F244 HydrophobicContact CB-CZ 3.59Å; L235-F244 HydrophobicContact CB-CD1 4.45Å; L235-F244 HydrophobicContact CB-CE1 4.01Å; L235-F244 HydrophobicContact CD1-CD1 3.59Å; L235-F244 HydrophobicContact CD1-CE1 3.95Å; L235-F244 HydrophobicContact CD1-CG 4.5Å; N240-F244 VanDerWaalsContact O-CB 3.26Å; N240-F244 WeakPolarHBondContact O-CB 3.45Å; N240-F244 PolarHBondContact O-N 3.38Å; K241-F244 WeakPolarHBondContact O-CB 3.45Å; K241-F244 PolarHBondContact O-N 2.84Å; V242-F244 PolarHBondContact O-N 2.77Å; F244-L246 VanDerWaalsContact C-N 3.26Å; F244-L246 PolarHBondContact O-N 3.43Å; F244-S247 WeakPolarHBondContact O-CB 3.31Å; F244-S247 PolarHBondContact O-N 2.7Å; F244-S247 VanDerWaalsContact O-N 3.14Å; F244-N250 HydrophobicContact CD1-CB 4.37Å; F244-N250 WeakPolarHBondContact CD2-ND2 3.39Å; F244-N250 HydrophobicContact CE1-CB 4.04Å; F244-N250 VanDerWaalsContact CE2-CG 3.45Å; F244-N250 WeakPolarHBondContact CE2-ND2 3.46Å; F244-N250 WeakPolarHBondContact CE2-OD1 3.35Å; F244-N250 WeakPolarHBondContact CG-ND2 3.27Å; F244-N250 HydrophobicContact CZ-CB 4.12Å; F244-N250 VanDerWaalsContact CZ-CG 3.43Å; F244-N250 WeakPolarHBondContact CZ-OD1 3.39Å; F244-N250 VanDerWaalsContact O-CB 3.27Å; F244-N250 WeakPolarHBondContact O-CB 3.3Å; F244-N250 PolarHBondContact O-ND2 2.96Å
245	A	88.6	Confident	88.8	Confident	57 Å²	57	65.7 Å²	65.7	47%	0.471	35%	0.351	S	S	.	.	H	α-helix	trans	-61.2	-31.8	-177.4	0	0	0	0	0	113.6	K241 V242	K241-A245 WeakPolarHBondContact O-CB 3.32Å; K241-A245 PolarHBondContact O-N 3.06Å; V242-A245 PolarHBondContact O-N 3.37Å
246	L	87.9	Confident	88.8	Confident	128 Å²	128	62.8 Å²	62.8	67%	0.67	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-3.6	179.9	-66.3	173.6	0	0	0	114.5	V242 F244	V242-L246 HydrophobicContact CG1-CD1 4Å; V242-L246 WeakPolarHBondContact O-CG 3.49Å; V242-L246 PolarHBondContact O-N 3.09Å; F244-L246 VanDerWaalsContact C-N 3.26Å; F244-L246 PolarHBondContact O-N 3.43Å
247	S	87.5	Confident	89	Confident	51 Å²	51	60.6 Å²	60.6	36%	0.357	32%	0.316	S	S	.	.	S	Bend	trans	-75.8	134.6	177.7	180	0	0	0	0	111.5	R243 F244 M249 N250 I251	R243-S247 PolarHBondContact O-N 3.2Å; F244-S247 WeakPolarHBondContact O-CB 3.31Å; F244-S247 PolarHBondContact O-N 2.7Å; F244-S247 VanDerWaalsContact O-N 3.14Å; S247-M249 VanDerWaalsContact C-N 3.27Å; S247-M249 PolarHBondContact O-N 3.31Å; S247-N250 WeakPolarHBondContact CB-ND2 3.36Å; S247-N250 PolarHBondContact O-N 2.98Å; S247-I251 WeakPolarHBondContact O-CG1 3.36Å; S247-I251 PolarHBondContact O-N 3.19Å
248	I	88.1	Confident	89.1	Confident	99 Å²	99	63.1 Å²	63.1	51%	0.508	33%	0.328	S	S	.	.	H	α-helix	trans	-52.5	-43.5	-176.7	-63.1	171.9	0	0	0	112	N250 I251 I252	I248-N250 VanDerWaalsContact C-N 3.31Å; I248-N250 PolarHBondContact O-N 3.44Å; I248-I251 PolarHBondContact O-N 3.44Å; I248-I252 HydrophobicContact CG2-CD1 4.28Å; I248-I252 WeakPolarHBondContact O-CG1 3.47Å; I248-I252 PolarHBondContact O-N 3.38Å; I248-I252 VanDerWaalsContact O-N 3.1Å
249	M	87.4	Confident	89.3	Confident	39 Å²	39	63.1 Å²	63.1	19%	0.192	33%	0.328	C	S	.	.	H	α-helix	trans	-65.5	-35.8	-179.8	-63	-61.3	166.3	0	0	112.4	S247 I252 D253 A299 Q306	S247-M249 VanDerWaalsContact C-N 3.27Å; S247-M249 PolarHBondContact O-N 3.31Å; M249-I252 PolarHBondContact O-N 3.21Å; M249-D253 PolarHBondContact O-N 2.8Å; M249-A299 HydrophobicContact SD-CB 4.32Å; M249-Q306 HydrophobicContact CE-CB 4.36Å; M249-Q306 HydrophobicContact CE-CG 3.66Å
250	N	91.7	Very high	89.7	Confident	8 Å²	8	60 Å²	60	4%	0.043	30%	0.304	C	S	.	.	H	α-helix	trans	-78.4	-29.2	179.8	-61.4	-30.2	0	0	0	111.8	F244 S247 I248 I252 D253 F254 R300	F244-N250 HydrophobicContact CD1-CB 4.37Å; F244-N250 WeakPolarHBondContact CD2-ND2 3.39Å; F244-N250 HydrophobicContact CE1-CB 4.04Å; F244-N250 VanDerWaalsContact CE2-CG 3.45Å; F244-N250 WeakPolarHBondContact CE2-ND2 3.46Å; F244-N250 WeakPolarHBondContact CE2-OD1 3.35Å; F244-N250 WeakPolarHBondContact CG-ND2 3.27Å; F244-N250 HydrophobicContact CZ-CB 4.12Å; F244-N250 VanDerWaalsContact CZ-CG 3.43Å; F244-N250 WeakPolarHBondContact CZ-OD1 3.39Å; F244-N250 VanDerWaalsContact O-CB 3.27Å; F244-N250 WeakPolarHBondContact O-CB 3.3Å; F244-N250 PolarHBondContact O-ND2 2.96Å; S247-N250 WeakPolarHBondContact CB-ND2 3.36Å; S247-N250 PolarHBondContact O-N 2.98Å; I248-N250 VanDerWaalsContact C-N 3.31Å; I248-N250 PolarHBondContact O-N 3.44Å; N250-I252 VanDerWaalsContact C-N 3.34Å; N250-D253 PolarHBondContact O-N 3.14Å; N250-F254 WeakPolarHBondContact O-CB 3.28Å; N250-F254 PolarHBondContact O-N 3Å; N250-R300 PolarHBondContact OD1-NH2 3.29Å
251	I	91.8	Very high	90	Very high	80 Å²	80	60.2 Å²	60.2	41%	0.41	30%	0.299	S	S	.	.	H	α-helix	trans	-62.9	-43.6	169.6	-65.6	169.2	0	0	0	109.9	S247 I248 F254 M255	S247-I251 WeakPolarHBondContact O-CG1 3.36Å; S247-I251 PolarHBondContact O-N 3.19Å; I248-I251 PolarHBondContact O-N 3.44Å; I251-F254 PolarHBondContact O-N 3.15Å; I251-M255 HydrophobicContact CG2-CG 4.3Å; I251-M255 WeakPolarHBondContact O-CB 3.38Å; I251-M255 VanDerWaalsContact O-CG 3.29Å; I251-M255 WeakPolarHBondContact O-CG 3.44Å; I251-M255 PolarHBondContact O-N 3.29Å
252	I	91.6	Very high	90	Very high	40 Å²	40	57.9 Å²	57.9	21%	0.205	29%	0.292	C	S	.	.	H	α-helix	trans	-61.3	-45.8	175	-66.3	166.9	0	0	0	110.7	I248 M249 N250 F254 M255 A256 F296	I248-I252 HydrophobicContact CG2-CD1 4.28Å; I248-I252 WeakPolarHBondContact O-CG1 3.47Å; I248-I252 PolarHBondContact O-N 3.38Å; I248-I252 VanDerWaalsContact O-N 3.1Å; M249-I252 PolarHBondContact O-N 3.21Å; N250-I252 VanDerWaalsContact C-N 3.34Å; I252-F254 VanDerWaalsContact C-N 3.3Å; I252-F254 PolarHBondContact O-N 2.73Å; I252-M255 PolarHBondContact O-N 3.29Å; I252-A256 WeakPolarHBondContact O-CB 3.19Å; I252-A256 PolarHBondContact O-N 3.34Å; I252-F296 HydrophobicContact CG2-CB 3.78Å
253	D	92.6	Very high	89.9	Confident	5 Å²	5	54.5 Å²	54.5	3%	0.027	27%	0.272	C	S	.	.	H	α-helix	trans	-58.9	-40.7	176.6	-71.7	-25.6	0	0	0	112	F231 R234 M249 N250 K297 R300	F231-D253 HydrophobicContact CD2-CB 3.87Å; F231-D253 HydrophobicContact CE2-CB 4.45Å; R234-D253 IonicContact NH1-OD2 3.05Å; M249-D253 PolarHBondContact O-N 2.8Å; N250-D253 PolarHBondContact O-N 3.14Å; D253-K297 WeakPolarHBondContact OD1-CD 3.42Å; D253-K297 WeakPolarHBondContact OD1-CE 3.48Å; D253-K297 VanDerWaalsContact OD1-CG 3.27Å; D253-K297 WeakPolarHBondContact OD1-CG 3.49Å; D253-R300 IonicContact OD2-CZ 2.73Å; D253-R300 IonicContact OD2-NE 3.56Å; D253-R300 PolarHBondContact OD2-NE 2.9Å; D253-R300 IonicContact OD2-NH2 3.97Å; D253-R300 PolarHBondContact OD2-NH2 3.33Å
254	F	93.3	Very high	89.8	Confident	103 Å²	103	49 Å²	49	45%	0.452	26%	0.257	S	S	.	.	H	α-helix	trans	-67.2	-47.8	175.7	175.8	-101.4	0	0	0	112.2	F231 N250 I251 I252 A256 I257 M258	F231-F254 HydrophobicContact CE1-CD2 4.43Å; F231-F254 HydrophobicContact CE2-CB 4.06Å; F231-F254 HydrophobicContact CZ-CB 4.16Å; F231-F254 HydrophobicContact CZ-CD2 4.19Å; N250-F254 WeakPolarHBondContact O-CB 3.28Å; N250-F254 PolarHBondContact O-N 3Å; I251-F254 PolarHBondContact O-N 3.15Å; I252-F254 VanDerWaalsContact C-N 3.3Å; I252-F254 PolarHBondContact O-N 2.73Å; F254-A256 PolarHBondContact O-N 3.32Å; F254-I257 VanDerWaalsContact O-CG1 3.23Å; F254-I257 WeakPolarHBondContact O-CG1 3.38Å; F254-I257 PolarHBondContact O-N 3.08Å; F254-I257 VanDerWaalsContact O-N 3.16Å; F254-M258 HydrophobicContact CE1-CB 4.2Å; F254-M258 HydrophobicContact CE1-CG 4.1Å; F254-M258 HydrophobicContact CZ-CB 4.34Å; F254-M258 HydrophobicContact CZ-CG 4.19Å; F254-M258 VanDerWaalsContact O-CB 3.28Å; F254-M258 WeakPolarHBondContact O-CB 3.49Å; F254-M258 PolarHBondContact O-N 3.49Å
255	M	91.3	Very high	89.6	Confident	64 Å²	64	50.9 Å²	50.9	32%	0.315	27%	0.271	S	S	.	.	H	α-helix	trans	-60.7	-29.1	178	-73.9	-63.1	-62.8	0	0	112.5	I251 I252 P259 M290 A293	I251-M255 HydrophobicContact CG2-CG 4.3Å; I251-M255 WeakPolarHBondContact O-CB 3.38Å; I251-M255 VanDerWaalsContact O-CG 3.29Å; I251-M255 WeakPolarHBondContact O-CG 3.44Å; I251-M255 PolarHBondContact O-N 3.29Å; I252-M255 PolarHBondContact O-N 3.29Å; M255-P259 WeakPolarHBondContact O-CD 3.42Å; M255-M290 HydrophobicContact CE-CE 4.27Å; M255-M290 HydrophobicContact CE-SD 3.7Å; M255-A293 HydrophobicContact CB-CB 4.46Å
256	A	91.6	Very high	89.2	Confident	0 Å²	0	51 Å²	51	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-67.4	-36.1	177	0	0	0	0	0	113.4	I252 F254 R294	I252-A256 WeakPolarHBondContact O-CB 3.19Å; I252-A256 PolarHBondContact O-N 3.34Å; F254-A256 PolarHBondContact O-N 3.32Å; A256-R294 HydrophobicContact CB-CB 4.2Å; A256-R294 HydrophobicContact CB-CG 3.83Å; A256-R294 WeakPolarHBondContact O-CG 3.48Å
257	I	93.3	Very high	88.7	Confident	11 Å²	11	49.4 Å²	49.4	6%	0.056	26%	0.259	C	S	.	.	H	α-helix	trans	-94.5	-25.8	-178.8	62.7	173	0	0	0	113.2	F227 F231 F254 F260 Y261	F227-I257 HydrophobicContact CB-CG2 3.56Å; F231-I257 HydrophobicContact CB-CD1 4.25Å; F231-I257 HydrophobicContact CD1-CD1 3.93Å; F231-I257 HydrophobicContact CG-CD1 4.13Å; F254-I257 VanDerWaalsContact O-CG1 3.23Å; F254-I257 WeakPolarHBondContact O-CG1 3.38Å; F254-I257 PolarHBondContact O-N 3.08Å; F254-I257 VanDerWaalsContact O-N 3.16Å; I257-F260 WeakPolarHBondContact O-CB 3.42Å; I257-F260 PolarHBondContact O-N 3.47Å; I257-F260 VanDerWaalsContact O-N 3.14Å; I257-Y261 HydrophobicContact CB-CD2 4.5Å; I257-Y261 HydrophobicContact CB-CE2 4.32Å; I257-Y261 WeakPolarHBondContact O-CD2 3.48Å
258	M	91.7	Very high	88.4	Confident	55 Å²	55	53.1 Å²	53.1	27%	0.271	27%	0.274	S	S	.	.	H	α-helix	trans	-53.2	-44.7	-174.1	178.6	-89.1	-166.3	0	0	113.8	F254 F260 Y261 V262 L287 M290	F254-M258 HydrophobicContact CE1-CB 4.2Å; F254-M258 HydrophobicContact CE1-CG 4.1Å; F254-M258 HydrophobicContact CZ-CB 4.34Å; F254-M258 HydrophobicContact CZ-CG 4.19Å; F254-M258 VanDerWaalsContact O-CB 3.28Å; F254-M258 WeakPolarHBondContact O-CB 3.49Å; F254-M258 PolarHBondContact O-N 3.49Å; M258-F260 VanDerWaalsContact C-N 3.27Å; M258-F260 PolarHBondContact O-N 3.27Å; M258-Y261 PolarHBondContact O-N 3.09Å; M258-V262 HydrophobicContact CE-CG2 3.7Å; M258-V262 HydrophobicContact CG-CG2 4.05Å; M258-V262 WeakPolarHBondContact O-CG2 3.37Å; M258-V262 PolarHBondContact O-N 3.22Å; M258-V262 HydrophobicContact SD-CG2 3.78Å; M258-L287 HydrophobicContact SD-CD2 4.4Å; M258-M290 HydrophobicContact CE-CE 4.04Å; M258-M290 HydrophobicContact SD-CE 3.28Å; M258-M290 WeakPolarHBondContact SD-CE 3.43Å
259	P	90	Very high	87.8	Confident	1 Å²	1	54.8 Å²	54.8	1%	0.006	28%	0.283	C	S	.	.	H	α-helix	trans	-57.3	-36.7	179.5	-28	36	0	0	0	114.3	M255 V263 L287 M290 R291	M255-P259 WeakPolarHBondContact O-CD 3.42Å; P259-V263 WeakPolarHBondContact O-CB 3.29Å; P259-V263 VanDerWaalsContact O-CG2 3.25Å; P259-V263 WeakPolarHBondContact O-CG2 3.38Å; P259-V263 PolarHBondContact O-N 3.41Å; P259-L287 WeakPolarHBondContact CB-O 3.44Å; P259-M290 HydrophobicContact CG-CB 3.61Å; P259-M290 HydrophobicContact CG-CE 3.99Å; P259-R291 HydrophobicContact CB-CG 4.25Å
260	F	89.9	Confident	86.7	Confident	44 Å²	44	54.7 Å²	54.7	19%	0.193	29%	0.292	C	S	.	.	H	α-helix	trans	-64.7	-48.9	-179.5	175.8	-95.4	0	0	0	111.1	T221 M224 I257 M258 V263 L264	T221-F260 HydrophobicContact CG2-CE2 4.26Å; T221-F260 HydrophobicContact CG2-CZ 4.12Å; M224-F260 HydrophobicContact CB-CD1 4.42Å; M224-F260 HydrophobicContact CB-CD2 4.26Å; M224-F260 HydrophobicContact CB-CG 4.15Å; M224-F260 HydrophobicContact CG-CB 4.03Å; M224-F260 HydrophobicContact CG-CD2 3.91Å; M224-F260 HydrophobicContact CG-CG 3.97Å; M224-F260 HydrophobicContact SD-CB 4.39Å; I257-F260 WeakPolarHBondContact O-CB 3.42Å; I257-F260 PolarHBondContact O-N 3.47Å; I257-F260 VanDerWaalsContact O-N 3.14Å; M258-F260 VanDerWaalsContact C-N 3.27Å; M258-F260 PolarHBondContact O-N 3.27Å; F260-V263 PolarHBondContact O-N 2.81Å; F260-L264 HydrophobicContact CE1-CD2 4.25Å; F260-L264 VanDerWaalsContact O-CB 3.31Å; F260-L264 WeakPolarHBondContact O-CB 3.21Å; F260-L264 PolarHBondContact O-N 3.24Å
261	Y	90.6	Very high	84.9	Confident	86 Å²	86	59.8 Å²	59.8	34%	0.337	32%	0.324	S	S	.	.	H	α-helix	trans	-71.7	-34.2	-178.8	-70	-74.4	0	0	0	113.1	T228 I257 M258 L264 S265	T228-Y261 WeakPolarHBondContact CB-OH 3.43Å; T228-Y261 HydrophobicContact CG2-CE2 4.22Å; T228-Y261 WeakPolarHBondContact CG2-OH 3.48Å; T228-Y261 VanDerWaalsContact OG1-CE2 3.28Å; T228-Y261 WeakPolarHBondContact OG1-CE2 3.38Å; T228-Y261 PolarHBondContact OG1-OH 2.83Å; I257-Y261 HydrophobicContact CB-CD2 4.5Å; I257-Y261 HydrophobicContact CB-CE2 4.32Å; I257-Y261 WeakPolarHBondContact O-CD2 3.48Å; M258-Y261 PolarHBondContact O-N 3.09Å; Y261-L264 PolarHBondContact O-N 3.45Å; Y261-S265 VanDerWaalsContact O-CB 3.31Å; Y261-S265 WeakPolarHBondContact O-CB 3.49Å; Y261-S265 PolarHBondContact O-N 3Å; Y261-S265 PolarHBondContact O-OG 3.13Å
262	V	88.2	Confident	83.1	Confident	40 Å²	40	61.8 Å²	61.8	24%	0.242	34%	0.34	C	S	.	.	H	α-helix	trans	-66	-45.2	174.6	178.9	0	0	0	0	110.4	M258 S265 L266 L287	M258-V262 HydrophobicContact CE-CG2 3.7Å; M258-V262 HydrophobicContact CG-CG2 4.05Å; M258-V262 WeakPolarHBondContact O-CG2 3.37Å; M258-V262 PolarHBondContact O-N 3.22Å; M258-V262 HydrophobicContact SD-CG2 3.78Å; V262-S265 WeakPolarHBondContact CA-OG 3.3Å; V262-S265 PolarHBondContact O-N 3.27Å; V262-S265 PolarHBondContact O-OG 3.02Å; V262-L266 HydrophobicContact CG1-CD1 3.93Å; V262-L266 HydrophobicContact CG1-CG 4.37Å; V262-L266 WeakPolarHBondContact O-CB 3.34Å; V262-L266 VanDerWaalsContact O-CG 3.22Å; V262-L266 WeakPolarHBondContact O-CG 3.35Å; V262-L266 PolarHBondContact O-N 3.43Å; V262-L287 HydrophobicContact CB-CD1 3.99Å; V262-L287 HydrophobicContact CB-CD2 4.48Å; V262-L287 HydrophobicContact CG1-CD1 3.39Å; V262-L287 HydrophobicContact CG1-CD2 4.25Å; V262-L287 HydrophobicContact CG1-CG 4.48Å
263	V	83.9	Confident	81.3	Confident	28 Å²	28	62.3 Å²	62.3	17%	0.17	35%	0.348	C	S	.	.	H	α-helix	trans	-63.9	-44.1	175.7	173.7	0	0	0	0	111.2	P259 F260 S265 L266 T267 V284 L287	P259-V263 WeakPolarHBondContact O-CB 3.29Å; P259-V263 VanDerWaalsContact O-CG2 3.25Å; P259-V263 WeakPolarHBondContact O-CG2 3.38Å; P259-V263 PolarHBondContact O-N 3.41Å; F260-V263 PolarHBondContact O-N 2.81Å; V263-S265 PolarHBondContact O-N 3.23Å; V263-L266 PolarHBondContact O-N 2.77Å; V263-T267 PolarHBondContact O-N 2.96Å; V263-T267 PolarHBondContact O-OG1 3.42Å; V263-V284 HydrophobicContact CG2-CG1 4.34Å; V263-V284 HydrophobicContact CG2-CG2 4.45Å; V263-L287 HydrophobicContact CG2-CB 4.21Å; V263-L287 HydrophobicContact CG2-CD1 3.98Å
264	L	85.6	Confident	79.5	Confident	81 Å²	81	70.3 Å²	70.3	42%	0.424	39%	0.387	S	S	.	.	H	α-helix	trans	-59.9	-45.9	177.8	180	63.8	0	0	0	112.1	F260 Y261 T267 L268	F260-L264 HydrophobicContact CE1-CD2 4.25Å; F260-L264 VanDerWaalsContact O-CB 3.31Å; F260-L264 WeakPolarHBondContact O-CB 3.21Å; F260-L264 PolarHBondContact O-N 3.24Å; Y261-L264 PolarHBondContact O-N 3.45Å; L264-T267 PolarHBondContact O-N 3.06Å; L264-L268 HydrophobicContact CD1-CD1 4Å; L264-L268 HydrophobicContact CG-CD1 4.2Å; L264-L268 PolarHBondContact O-N 3.36Å
265	S	84.4	Confident	77.4	Confident	49 Å²	49	74 Å²	74	34%	0.343	41%	0.408	S	S	.	.	H	α-helix	trans	-66.7	-41.2	178.9	56.3	0	0	0	0	112.3	Y261 V262 V263 T267 L268 L269	Y261-S265 VanDerWaalsContact O-CB 3.31Å; Y261-S265 WeakPolarHBondContact O-CB 3.49Å; Y261-S265 PolarHBondContact O-N 3Å; Y261-S265 PolarHBondContact O-OG 3.13Å; V262-S265 WeakPolarHBondContact CA-OG 3.3Å; V262-S265 PolarHBondContact O-N 3.27Å; V262-S265 PolarHBondContact O-OG 3.02Å; V263-S265 PolarHBondContact O-N 3.23Å; S265-T267 VanDerWaalsContact C-N 3.33Å; S265-T267 PolarHBondContact O-N 3.2Å; S265-L268 PolarHBondContact O-N 3.48Å; S265-L269 VanDerWaalsContact O-CB 3.29Å; S265-L269 WeakPolarHBondContact O-CB 3.39Å; S265-L269 WeakPolarHBondContact O-CG 3.46Å; S265-L269 PolarHBondContact O-N 2.73Å
266	L	81.5	Confident	75.8	Confident	59 Å²	59	77 Å²	77	31%	0.309	42%	0.421	S	S	.	.	H	α-helix	trans	-61.3	-40.6	173.5	-72.3	172.6	0	0	0	111.8	V262 V263 G270 V284 L287	V262-L266 HydrophobicContact CG1-CD1 3.93Å; V262-L266 HydrophobicContact CG1-CG 4.37Å; V262-L266 WeakPolarHBondContact O-CB 3.34Å; V262-L266 VanDerWaalsContact O-CG 3.22Å; V262-L266 WeakPolarHBondContact O-CG 3.35Å; V262-L266 PolarHBondContact O-N 3.43Å; V263-L266 PolarHBondContact O-N 2.77Å; L266-G270 VanDerWaalsContact O-CA 3.25Å; L266-G270 WeakPolarHBondContact O-CA 3.45Å; L266-G270 PolarHBondContact O-N 3.27Å; L266-V284 HydrophobicContact CD1-CG2 4.45Å; L266-L287 HydrophobicContact CD1-CD1 4.24Å
267	T	77.6	Confident	74.2	Confident	95 Å²	95	81.1 Å²	81.1	58%	0.583	44%	0.442	S	S	*	.	H	α-helix	trans	-68.1	-36.2	176.8	-57.1	0	0	0	0	112.3	V263 L264 S265	V263-T267 PolarHBondContact O-N 2.96Å; V263-T267 PolarHBondContact O-OG1 3.42Å; L264-T267 PolarHBondContact O-N 3.06Å; S265-T267 VanDerWaalsContact C-N 3.33Å; S265-T267 PolarHBondContact O-N 3.2Å
268	L	79.7	Confident	72.6	Confident	129 Å²	129	85.4 Å²	85.4	68%	0.675	47%	0.469	S	S	*	.	H	α-helix	trans	-74	-44	178.2	-111.5	130.2	0	0	0	112.8	L264 S265 T271	L264-L268 HydrophobicContact CD1-CD1 4Å; L264-L268 HydrophobicContact CG-CD1 4.2Å; L264-L268 PolarHBondContact O-N 3.36Å; S265-L268 PolarHBondContact O-N 3.48Å; L268-T271 PolarHBondContact O-OG1 2.96Å
269	L	75.2	Confident	71.3	Confident	133 Å²	133	88.3 Å²	88.3	70%	0.696	49%	0.486	S	S	*	.	H	α-helix	trans	-85	-33.2	-175.8	-68.2	162.3	0	0	0	113.1	S265 T271 T272	S265-L269 VanDerWaalsContact O-CB 3.29Å; S265-L269 WeakPolarHBondContact O-CB 3.39Å; S265-L269 WeakPolarHBondContact O-CG 3.46Å; S265-L269 PolarHBondContact O-N 2.73Å; L269-T271 PolarHBondContact O-N 2.62Å; L269-T272 PolarHBondContact O-OG1 3.41Å
270	G	64.3	Low	70.3	Confident	37 Å²	37	90.5 Å²	90.5	38%	0.381	50%	0.499	S	S	.	.			trans	-78.9	11.3	-173.4	0	0	0	0	0	115.5	L266 T272	L266-G270 VanDerWaalsContact O-CA 3.25Å; L266-G270 WeakPolarHBondContact O-CA 3.45Å; L266-G270 PolarHBondContact O-N 3.27Å; G270-T272 PolarHBondContact O-N 3.05Å; G270-T272 VanDerWaalsContact O-N 3.15Å
271	T	55.6	Low	69.4	Low	115 Å²	115	93.9 Å²	93.9	71%	0.706	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	8	175.7	44	0	0	0	0	113.8	L268 L269	L268-T271 PolarHBondContact O-OG1 2.96Å; L269-T271 PolarHBondContact O-N 2.62Å
272	T	53.1	Low	68.4	Low	123 Å²	123	96 Å²	96	76%	0.755	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.4	-12.4	-167.2	50.1	0	0	0	0	116.5	L269 G270	L269-T272 PolarHBondContact O-OG1 3.41Å; G270-T272 PolarHBondContact O-N 3.05Å; G270-T272 VanDerWaalsContact O-N 3.15Å
273	S	54.5	Low	67.5	Low	51 Å²	51	96.1 Å²	96.1	36%	0.357	53%	0.534	S	S	.	.			trans	-154.3	134.3	172.2	79.7	0	0	0	0	115.3	M275 L277	S273-M275 VanDerWaalsContact C-N 3.33Å; S273-M275 PolarHBondContact O-N 2.87Å; S273-L277 WeakPolarHBondContact O-CD1 3.47Å
274	M	53.8	Low	67.1	Low	173 Å²	173	96.1 Å²	96.1	85%	0.852	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-15.6	-174.8	-71.2	-73.8	164.7	0	0	114.5
275	M	50.4	Low	66.5	Low	180 Å²	180	98.3 Å²	98.3	89%	0.887	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	-18.7	-173.7	-165.4	168.8	-83	0	0	113.3	S273	S273-M275 VanDerWaalsContact C-N 3.33Å; S273-M275 PolarHBondContact O-N 2.87Å
276	E	57.6	Low	66.2	Low	126 Å²	126	98.6 Å²	98.6	59%	0.589	55%	0.547	S	S	*	.	S	Bend	trans	-86.2	-11.9	175.2	-69.1	-174	154.4	0	0	113.5	V278 N279 V280	E276-V278 VanDerWaalsContact C-N 3.34Å; E276-V278 PolarHBondContact O-N 2.76Å; E276-N279 PolarHBondContact O-N 3.4Å; E276-V280 WeakPolarHBondContact O-CG2 3.25Å; E276-V280 PolarHBondContact O-N 2.87Å; E276-V280 VanDerWaalsContact O-N 3.08Å
277	L	58.3	Low	66.1	Low	87 Å²	87	96.8 Å²	96.8	46%	0.455	54%	0.538	S	S	.	.	H	α-helix	trans	-62.8	-31.4	-172.1	-105.9	88	0	0	0	114.8	S273 V280 Q281	S273-L277 WeakPolarHBondContact O-CD1 3.47Å; L277-V280 PolarHBondContact O-N 3.37Å; L277-Q281 WeakPolarHBondContact O-CB 2.98Å; L277-Q281 PolarHBondContact O-N 3.19Å
278	V	59.6	Low	66.2	Low	101 Å²	101	98 Å²	98	61%	0.612	53%	0.531	S	S	*	.	H	α-helix	trans	-70.4	-43.4	-177.8	178.7	0	0	0	0	111.3	E276 V280 Q281 Q282	E276-V278 VanDerWaalsContact C-N 3.34Å; E276-V278 PolarHBondContact O-N 2.76Å; V278-V280 VanDerWaalsContact C-N 3.33Å; V278-Q281 PolarHBondContact O-N 3.43Å; V278-Q282 PolarHBondContact O-N 2.93Å
279	N	64.2	Low	66.4	Low	117 Å²	117	97.3 Å²	97.3	63%	0.626	53%	0.527	S	S	*	.	H	α-helix	trans	-67.9	-36.9	174	-70.9	-12.3	0	0	0	110.8	E276 Q282 A283	E276-N279 PolarHBondContact O-N 3.4Å; N279-Q282 PolarHBondContact O-N 2.99Å; N279-A283 WeakPolarHBondContact O-CB 3.04Å; N279-A283 PolarHBondContact O-N 3.34Å
280	V	69	Low	66.8	Low	47 Å²	47	93.6 Å²	93.6	29%	0.285	51%	0.507	S	S	.	.	H	α-helix	trans	-64.4	-39.2	175	173.5	0	0	0	0	111.3	E276 L277 V278 A283 V284	E276-V280 WeakPolarHBondContact O-CG2 3.25Å; E276-V280 PolarHBondContact O-N 2.87Å; E276-V280 VanDerWaalsContact O-N 3.08Å; L277-V280 PolarHBondContact O-N 3.37Å; V278-V280 VanDerWaalsContact C-N 3.33Å; V280-A283 PolarHBondContact O-N 3.46Å; V280-V284 HydrophobicContact CG1-CG2 4.16Å; V280-V284 WeakPolarHBondContact O-CB 3.49Å; V280-V284 WeakPolarHBondContact O-CG2 3.44Å; V280-V284 PolarHBondContact O-N 3.12Å
281	Q	69.4	Low	67.7	Low	115 Å²	115	93.4 Å²	93.4	54%	0.537	50%	0.495	S	S	.	.	H	α-helix	trans	-65.6	-41.6	178	-173.8	176.1	-41.9	0	0	112.2	L277 V278 V284 Q285	L277-Q281 WeakPolarHBondContact O-CB 2.98Å; L277-Q281 PolarHBondContact O-N 3.19Å; V278-Q281 PolarHBondContact O-N 3.43Å; Q281-V284 PolarHBondContact O-N 2.97Å; Q281-Q285 WeakPolarHBondContact O-CB 3.42Å; Q281-Q285 PolarHBondContact O-N 2.96Å
282	Q	70.3	Confident	69.3	Low	129 Å²	129	91.8 Å²	91.8	60%	0.603	48%	0.481	S	S	*	.	H	α-helix	trans	-64.9	-41.8	174.2	-70.5	-178.1	-15.6	0	0	111.6	V278 N279 Q285 A286	V278-Q282 PolarHBondContact O-N 2.93Å; N279-Q282 PolarHBondContact O-N 2.99Å; Q282-Q285 PolarHBondContact O-N 3.06Å; Q282-A286 PolarHBondContact O-N 3.25Å
283	A	69.8	Low	70.9	Confident	44 Å²	44	86.9 Å²	86.9	36%	0.364	45%	0.453	S	S	.	.	H	α-helix	trans	-62.9	-44.4	175.3	0	0	0	0	0	111.9	N279 V280 Q285 A286 L287	N279-A283 WeakPolarHBondContact O-CB 3.04Å; N279-A283 PolarHBondContact O-N 3.34Å; V280-A283 PolarHBondContact O-N 3.46Å; A283-Q285 VanDerWaalsContact C-N 3.28Å; A283-Q285 PolarHBondContact O-N 2.97Å; A283-A286 PolarHBondContact O-N 3.2Å; A283-L287 VanDerWaalsContact O-CG 3.26Å; A283-L287 WeakPolarHBondContact O-CG 3.21Å; A283-L287 PolarHBondContact O-N 3.11Å
284	V	74.6	Confident	72.5	Confident	27 Å²	27	84.7 Å²	84.7	16%	0.164	44%	0.437	C	S	.	.	H	α-helix	trans	-60.6	-37.9	175.1	168.9	0	0	0	0	111.2	V263 L266 V280 Q281 L287 R288	V263-V284 HydrophobicContact CG2-CG1 4.34Å; V263-V284 HydrophobicContact CG2-CG2 4.45Å; L266-V284 HydrophobicContact CD1-CG2 4.45Å; V280-V284 HydrophobicContact CG1-CG2 4.16Å; V280-V284 WeakPolarHBondContact O-CB 3.49Å; V280-V284 WeakPolarHBondContact O-CG2 3.44Å; V280-V284 PolarHBondContact O-N 3.12Å; Q281-V284 PolarHBondContact O-N 2.97Å; V284-L287 PolarHBondContact O-N 3.47Å; V284-R288 WeakPolarHBondContact O-CG 3.37Å; V284-R288 PolarHBondContact O-N 3.26Å
285	Q	74.5	Confident	74.3	Confident	127 Å²	127	79.5 Å²	79.5	59%	0.593	41%	0.412	S	S	*	.	H	α-helix	trans	-66.7	-41.1	175.8	-171.9	172.2	-2.4	0	0	112.3	Q281 Q282 A283 R288	Q281-Q285 WeakPolarHBondContact O-CB 3.42Å; Q281-Q285 PolarHBondContact O-N 2.96Å; Q282-Q285 PolarHBondContact O-N 3.06Å; A283-Q285 VanDerWaalsContact C-N 3.28Å; A283-Q285 PolarHBondContact O-N 2.97Å; Q285-R288 WeakPolarHBondContact O-CB 3.29Å; Q285-R288 PolarHBondContact O-N 3.19Å
286	A	77.4	Confident	76.1	Confident	56 Å²	56	77 Å²	77	46%	0.463	40%	0.396	S	S	.	.	H	α-helix	trans	-64.6	-41.3	174	0	0	0	0	0	112	Q282 A283 R288 I289 M290	Q282-A286 PolarHBondContact O-N 3.25Å; A283-A286 PolarHBondContact O-N 3.2Å; A286-R288 VanDerWaalsContact C-N 3.27Å; A286-R288 PolarHBondContact O-N 3.39Å; A286-I289 WeakPolarHBondContact O-CB 3.25Å; A286-I289 PolarHBondContact O-N 3.14Å; A286-I289 VanDerWaalsContact O-N 3.11Å; A286-M290 PolarHBondContact O-N 3.09Å
287	L	79.5	Confident	77.7	Confident	21 Å²	21	71.1 Å²	71.1	11%	0.11	37%	0.369	C	S	.	.	H	α-helix	trans	-63.3	-31.4	176	-68.3	171	0	0	0	112.3	M258 P259 V262 V263 L266 A283 V284 I289 M290	M258-L287 HydrophobicContact SD-CD2 4.4Å; P259-L287 WeakPolarHBondContact CB-O 3.44Å; V262-L287 HydrophobicContact CB-CD1 3.99Å; V262-L287 HydrophobicContact CB-CD2 4.48Å; V262-L287 HydrophobicContact CG1-CD1 3.39Å; V262-L287 HydrophobicContact CG1-CD2 4.25Å; V262-L287 HydrophobicContact CG1-CG 4.48Å; V263-L287 HydrophobicContact CG2-CB 4.21Å; V263-L287 HydrophobicContact CG2-CD1 3.98Å; L266-L287 HydrophobicContact CD1-CD1 4.24Å; A283-L287 VanDerWaalsContact O-CG 3.26Å; A283-L287 WeakPolarHBondContact O-CG 3.21Å; A283-L287 PolarHBondContact O-N 3.11Å; V284-L287 PolarHBondContact O-N 3.47Å; L287-I289 VanDerWaalsContact C-N 3.3Å; L287-I289 PolarHBondContact O-N 2.86Å; L287-M290 HydrophobicContact CD2-CE 3.44Å; L287-M290 VanDerWaalsContact CD2-CE 3.44Å; L287-M290 WeakPolarHBondContact O-CB 3.46Å; L287-M290 PolarHBondContact O-N 3.21Å
288	R	79.3	Confident	79	Confident	119 Å²	119	69.1 Å²	69.1	45%	0.449	36%	0.358	S	S	.	.	H	α-helix	trans	-62.1	-35.8	173	-75.6	-178.6	-168.2	-144.3	8.8	112.4	E212 V284 Q285 A286 M290 R291	E212-R288 IonicContact OE1-CZ 2.99Å; E212-R288 IonicContact OE1-NH1 2.71Å; E212-R288 PolarHBondContact OE1-NH1 3.42Å; V284-R288 WeakPolarHBondContact O-CG 3.37Å; V284-R288 PolarHBondContact O-N 3.26Å; Q285-R288 WeakPolarHBondContact O-CB 3.29Å; Q285-R288 PolarHBondContact O-N 3.19Å; A286-R288 VanDerWaalsContact C-N 3.27Å; A286-R288 PolarHBondContact O-N 3.39Å; R288-M290 VanDerWaalsContact C-N 3.32Å; R288-M290 PolarHBondContact O-N 3.33Å; R288-R291 WeakPolarHBondContact O-CB 3.29Å; R288-R291 WeakPolarHBondContact O-CG 3.12Å; R288-R291 PolarHBondContact O-N 3.1Å
289	I	83.1	Confident	80.3	Confident	115 Å²	115	64.6 Å²	64.6	59%	0.59	33%	0.331	S	S	*	.	H	α-helix	trans	-66.5	-37.5	176.1	-60.4	172.6	0	0	0	110.6	A286 L287 R291 I292	A286-I289 WeakPolarHBondContact O-CB 3.25Å; A286-I289 PolarHBondContact O-N 3.14Å; A286-I289 VanDerWaalsContact O-N 3.11Å; L287-I289 VanDerWaalsContact C-N 3.3Å; L287-I289 PolarHBondContact O-N 2.86Å; I289-R291 PolarHBondContact O-N 2.65Å; I289-I292 HydrophobicContact CG2-CD1 4.33Å; I289-I292 WeakPolarHBondContact O-CB 3.44Å; I289-I292 WeakPolarHBondContact O-CG1 3.14Å; I289-I292 PolarHBondContact O-N 2.64Å
290	M	84.1	Confident	81.3	Confident	55 Å²	55	60.8 Å²	60.8	27%	0.271	31%	0.308	S	S	.	.	H	α-helix	trans	-61.8	-17.4	177.2	-63.8	-150.8	-49.1	0	0	113.4	M255 M258 P259 A286 L287 R288 I292 A293	M255-M290 HydrophobicContact CE-CE 4.27Å; M255-M290 HydrophobicContact CE-SD 3.7Å; M258-M290 HydrophobicContact CE-CE 4.04Å; M258-M290 HydrophobicContact SD-CE 3.28Å; M258-M290 WeakPolarHBondContact SD-CE 3.43Å; P259-M290 HydrophobicContact CG-CB 3.61Å; P259-M290 HydrophobicContact CG-CE 3.99Å; A286-M290 PolarHBondContact O-N 3.09Å; L287-M290 HydrophobicContact CD2-CE 3.44Å; L287-M290 VanDerWaalsContact CD2-CE 3.44Å; L287-M290 WeakPolarHBondContact O-CB 3.46Å; L287-M290 PolarHBondContact O-N 3.21Å; R288-M290 VanDerWaalsContact C-N 3.32Å; R288-M290 PolarHBondContact O-N 3.33Å; M290-I292 PolarHBondContact O-N 2.95Å; M290-A293 WeakPolarHBondContact O-CB 3.33Å; M290-A293 PolarHBondContact O-N 2.92Å
291	R	84.7	Confident	82.1	Confident	33 Å²	33	61.4 Å²	61.4	13%	0.125	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-58.1	-27.7	171.3	-59.5	-177.6	175.6	-176.2	10.3	112.2	M193 E212 E220 P259 R288 I289 A293 R294	M193-R291 HydrophobicContact SD-CB 4.32Å; E212-R291 IonicContact OE1-NH1 3.5Å; E212-R291 IonicContact OE2-NH1 3.94Å; E220-R291 VanDerWaalsContact CD-NH1 3.35Å; E220-R291 WeakPolarHBondContact OE1-CD 3.36Å; E220-R291 IonicContact OE1-CZ 2.85Å; E220-R291 IonicContact OE1-NE 2.65Å; E220-R291 IonicContact OE1-NH1 3.49Å; E220-R291 PolarHBondContact OE1-NH1 3.35Å; E220-R291 IonicContact OE2-NH1 2.94Å; E220-R291 PolarHBondContact OE2-NH1 3.13Å; P259-R291 HydrophobicContact CB-CG 4.25Å; R288-R291 WeakPolarHBondContact O-CB 3.29Å; R288-R291 WeakPolarHBondContact O-CG 3.12Å; R288-R291 PolarHBondContact O-N 3.1Å; I289-R291 PolarHBondContact O-N 2.65Å; R291-A293 PolarHBondContact O-N 3.2Å; R291-A293 VanDerWaalsContact O-N 3.17Å; R291-R294 VanDerWaalsContact CD-NH2 3.28Å; R291-R294 VanDerWaalsContact O-CB 3.32Å; R291-R294 WeakPolarHBondContact O-CB 3.38Å; R291-R294 WeakPolarHBondContact O-CD 3.26Å; R291-R294 WeakPolarHBondContact O-CG 3.2Å; R291-R294 PolarHBondContact O-N 3.47Å; R291-R294 VanDerWaalsContact O-N 3.15Å; R291-R294 PolarHBondContact O-NE 3.17Å
292	I	88	Confident	82.7	Confident	82 Å²	82	58.4 Å²	58.4	42%	0.421	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-60.3	-26.7	174.5	-62.5	172.2	0	0	0	111.1	M193 I289 M290 R294 I295	M193-I292 HydrophobicContact CE-CG1 4.05Å; M193-I292 HydrophobicContact SD-CG1 3.99Å; I289-I292 HydrophobicContact CG2-CD1 4.33Å; I289-I292 WeakPolarHBondContact O-CB 3.44Å; I289-I292 WeakPolarHBondContact O-CG1 3.14Å; I289-I292 PolarHBondContact O-N 2.64Å; M290-I292 PolarHBondContact O-N 2.95Å; I292-R294 PolarHBondContact O-N 3.36Å; I292-I295 HydrophobicContact CG2-CD1 4.37Å; I292-I295 WeakPolarHBondContact O-CB 3.26Å; I292-I295 PolarHBondContact O-N 2.77Å
293	A	86.6	Confident	82.9	Confident	19 Å²	19	56.6 Å²	56.6	16%	0.157	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-58.3	-24.5	178.6	0	0	0	0	0	113.4	M255 M290 R291 I295 F296	M255-A293 HydrophobicContact CB-CB 4.46Å; M290-A293 WeakPolarHBondContact O-CB 3.33Å; M290-A293 PolarHBondContact O-N 2.92Å; R291-A293 PolarHBondContact O-N 3.2Å; R291-A293 VanDerWaalsContact O-N 3.17Å; A293-I295 PolarHBondContact O-N 3.42Å; A293-F296 WeakPolarHBondContact O-CB 3.29Å; A293-F296 PolarHBondContact O-N 2.93Å
294	R	89.3	Confident	83.2	Confident	5 Å²	5	56.6 Å²	56.6	2%	0.019	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-56.8	-32.1	174.4	-58	161.8	-171	177.3	-0.1	112.7	E220 M224 A256 R291 I292 F296 K297	E220-R294 IonicContact OE1-CZ 3.71Å; E220-R294 IonicContact OE1-NH1 2.74Å; E220-R294 PolarHBondContact OE1-NH1 2.72Å; E220-R294 IonicContact OE1-NH2 3.35Å; E220-R294 PolarHBondContact OE1-NH2 3.16Å; M224-R294 VanDerWaalsContact CE-NE 3.3Å; A256-R294 HydrophobicContact CB-CB 4.2Å; A256-R294 HydrophobicContact CB-CG 3.83Å; A256-R294 WeakPolarHBondContact O-CG 3.48Å; R291-R294 VanDerWaalsContact CD-NH2 3.28Å; R291-R294 VanDerWaalsContact O-CB 3.32Å; R291-R294 WeakPolarHBondContact O-CB 3.38Å; R291-R294 WeakPolarHBondContact O-CD 3.26Å; R291-R294 WeakPolarHBondContact O-CG 3.2Å; R291-R294 PolarHBondContact O-N 3.47Å; R291-R294 VanDerWaalsContact O-N 3.15Å; R291-R294 PolarHBondContact O-NE 3.17Å; I292-R294 PolarHBondContact O-N 3.36Å; R294-F296 PolarHBondContact O-N 3.09Å; R294-K297 WeakPolarHBondContact O-CB 3.43Å; R294-K297 PolarHBondContact O-N 3.14Å; R294-K297 VanDerWaalsContact O-N 3.1Å
295	I	89.9	Confident	83.5	Confident	64 Å²	64	58.1 Å²	58.1	33%	0.328	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-63.6	-34.7	178.5	-63.1	178.1	0	0	0	110.4	A190 M193 I292 A293 K297 L298	A190-I295 HydrophobicContact CB-CG1 4.37Å; M193-I295 HydrophobicContact CE-CD1 3.84Å; I292-I295 HydrophobicContact CG2-CD1 4.37Å; I292-I295 WeakPolarHBondContact O-CB 3.26Å; I292-I295 PolarHBondContact O-N 2.77Å; A293-I295 PolarHBondContact O-N 3.42Å; I295-K297 PolarHBondContact O-N 3.02Å; I295-K297 VanDerWaalsContact O-N 3.13Å; I295-L298 HydrophobicContact CG2-CD1 4.11Å; I295-L298 VanDerWaalsContact O-CB 3.25Å; I295-L298 WeakPolarHBondContact O-CB 3.26Å; I295-L298 VanDerWaalsContact O-CG 3.23Å; I295-L298 WeakPolarHBondContact O-CG 3.41Å; I295-L298 PolarHBondContact O-N 3.35Å
296	F	89.2	Confident	83.7	Confident	127 Å²	127	55.8 Å²	55.8	56%	0.557	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-66.4	-14.6	177.7	-62.8	-62.7	0	0	0	113.2	I252 A293 R294 L298 A299	I252-F296 HydrophobicContact CG2-CB 3.78Å; A293-F296 WeakPolarHBondContact O-CB 3.29Å; A293-F296 PolarHBondContact O-N 2.93Å; R294-F296 PolarHBondContact O-N 3.09Å; F296-L298 PolarHBondContact O-N 2.93Å; F296-L298 VanDerWaalsContact O-N 3.16Å; F296-A299 WeakPolarHBondContact O-CB 3.19Å; F296-A299 PolarHBondContact O-N 2.75Å
297	K	90	Very high	83.6	Confident	4 Å²	4	54.4 Å²	54.4	2%	0.017	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-59	-24	170.6	-164.9	170.9	179.8	-168.3	0	112.4	I186 F227 E230 D253 R294 I295 A299 R300	I186-K297 HydrophobicContact CD1-CB 3.87Å; I186-K297 HydrophobicContact CD1-CD 3.92Å; I186-K297 HydrophobicContact CD1-CG 3.69Å; I186-K297 HydrophobicContact CG1-CB 4.34Å; I186-K297 HydrophobicContact CG1-CD 4.15Å; I186-K297 HydrophobicContact CG1-CG 4.36Å; F227-K297 HydrophobicContact CD1-CD 4.43Å; F227-K297 HydrophobicContact CE1-CD 4.48Å; E230-K297 WeakPolarHBondContact OE1-CE 3.46Å; E230-K297 IonicContact OE1-NZ 3.12Å; E230-K297 PolarHBondContact OE1-NZ 3.23Å; E230-K297 IonicContact OE2-NZ 2.98Å; E230-K297 PolarHBondContact OE2-NZ 3.22Å; D253-K297 WeakPolarHBondContact OD1-CD 3.42Å; D253-K297 WeakPolarHBondContact OD1-CE 3.48Å; D253-K297 VanDerWaalsContact OD1-CG 3.27Å; D253-K297 WeakPolarHBondContact OD1-CG 3.49Å; R294-K297 WeakPolarHBondContact O-CB 3.43Å; R294-K297 PolarHBondContact O-N 3.14Å; R294-K297 VanDerWaalsContact O-N 3.1Å; I295-K297 PolarHBondContact O-N 3.02Å; I295-K297 VanDerWaalsContact O-N 3.13Å; K297-A299 PolarHBondContact O-N 2.8Å; K297-A299 VanDerWaalsContact O-N 3.14Å; K297-R300 WeakPolarHBondContact O-CB 3.42Å; K297-R300 PolarHBondContact O-N 2.74Å; K297-R300 VanDerWaalsContact O-N 3.1Å
298	L	87.3	Confident	83.7	Confident	45 Å²	45	57 Å²	57	24%	0.236	30%	0.301	C	S	.	.	H	α-helix	trans	-56.6	-25.5	170.5	-66.5	175	0	0	0	113	F183 I186 I295 F296 R300 H301 S302	F183-L298 HydrophobicContact CD2-CD2 3.77Å; F183-L298 HydrophobicContact CE2-CD2 3.63Å; I186-L298 HydrophobicContact CB-CD2 4.17Å; I186-L298 HydrophobicContact CD1-CD2 4.33Å; I186-L298 HydrophobicContact CG2-CD2 3.66Å; I186-L298 HydrophobicContact CG2-CG 3.78Å; I295-L298 HydrophobicContact CG2-CD1 4.11Å; I295-L298 VanDerWaalsContact O-CB 3.25Å; I295-L298 WeakPolarHBondContact O-CB 3.26Å; I295-L298 VanDerWaalsContact O-CG 3.23Å; I295-L298 WeakPolarHBondContact O-CG 3.41Å; I295-L298 PolarHBondContact O-N 3.35Å; F296-L298 PolarHBondContact O-N 2.93Å; F296-L298 VanDerWaalsContact O-N 3.16Å; L298-R300 PolarHBondContact O-N 3.07Å; L298-H301 PolarHBondContact O-N 2.93Å; L298-S302 PolarHBondContact O-N 3.39Å; L298-S302 VanDerWaalsContact O-N 3.12Å
299	A	85.9	Confident	83.7	Confident	5 Å²	5	54.4 Å²	54.4	4%	0.041	30%	0.299	C	S	.	.	H	α-helix	trans	-59.4	-31.4	176.5	0	0	0	0	0	112.8	M249 F296 K297 H301 S302 L305 Q306	M249-A299 HydrophobicContact SD-CB 4.32Å; F296-A299 WeakPolarHBondContact O-CB 3.19Å; F296-A299 PolarHBondContact O-N 2.75Å; K297-A299 PolarHBondContact O-N 2.8Å; K297-A299 VanDerWaalsContact O-N 3.14Å; A299-H301 PolarHBondContact O-N 3.1Å; A299-S302 PolarHBondContact O-N 2.9Å; A299-L305 HydrophobicContact CB-CB 4.43Å; A299-L305 HydrophobicContact CB-CD2 3.66Å; A299-L305 HydrophobicContact CB-CG 3.9Å; A299-Q306 WeakPolarHBondContact O-CG 3.41Å; A299-Q306 PolarHBondContact O-NE2 3.48Å
300	R	86.1	Confident	83.4	Confident	38 Å²	38	54.2 Å²	54.2	14%	0.143	29%	0.291	C	S	.	.	H	α-helix	trans	-63.7	-32.5	174.5	-177.3	177.1	-71.1	-82.5	6.5	112.3	E167 N250 D253 K297 L298 Q306	E167-R300 VanDerWaalsContact CD-NH1 3.34Å; E167-R300 IonicContact OE1-NH1 3.7Å; E167-R300 PolarHBondContact OE1-NH1 2.79Å; E167-R300 IonicContact OE2-NH1 3.49Å; E167-R300 PolarHBondContact OE2-NH1 2.86Å; N250-R300 PolarHBondContact OD1-NH2 3.29Å; D253-R300 IonicContact OD2-CZ 2.73Å; D253-R300 IonicContact OD2-NE 3.56Å; D253-R300 PolarHBondContact OD2-NE 2.9Å; D253-R300 IonicContact OD2-NH2 3.97Å; D253-R300 PolarHBondContact OD2-NH2 3.33Å; K297-R300 WeakPolarHBondContact O-CB 3.42Å; K297-R300 PolarHBondContact O-N 2.74Å; K297-R300 VanDerWaalsContact O-N 3.1Å; L298-R300 PolarHBondContact O-N 3.07Å; R300-Q306 PolarHBondContact O-NE2 3.17Å; R300-Q306 VanDerWaalsContact O-NE2 3.09Å
301	H	84.4	Confident	83.1	Confident	60 Å²	60	51.7 Å²	51.7	28%	0.278	28%	0.279	S	S	.	.	H	α-helix	trans	-95.8	-5.5	-175.7	-60.4	-72.9	0	0	0	113.5	F183 L298 A299	F183-H301 HydrophobicContact CD2-CB 4.24Å; L298-H301 PolarHBondContact O-N 2.93Å; A299-H301 PolarHBondContact O-N 3.1Å
302	S	83.8	Confident	82.9	Confident	51 Å²	51	53.7 Å²	53.7	36%	0.357	29%	0.292	S	S	.	.			trans	-119.6	101.8	179.8	177.9	0	0	0	0	110.6	L298 A299 G304 L305 Q306	L298-S302 PolarHBondContact O-N 3.39Å; L298-S302 VanDerWaalsContact O-N 3.12Å; A299-S302 PolarHBondContact O-N 2.9Å; S302-G304 PolarHBondContact O-N 3.06Å; S302-L305 PolarHBondContact O-N 3.43Å; S302-L305 PolarHBondContact OG-N 2.76Å; S302-Q306 WeakPolarHBondContact O-CG 3.1Å; S302-Q306 PolarHBondContact O-N 2.76Å; S302-Q306 VanDerWaalsContact O-N 3.14Å
303	S	74	Confident	82.6	Confident	91 Å²	91	56.8 Å²	56.8	64%	0.636	30%	0.302	S	S	*	.	H	α-helix	trans	-55.2	-34	172	55	0	0	0	0	112	Q306 T307	S303-Q306 PolarHBondContact O-N 2.76Å; S303-T307 WeakPolarHBondContact O-CB 3.27Å; S303-T307 PolarHBondContact O-N 2.81Å; S303-T307 PolarHBondContact O-OG1 2.88Å
304	G	76.4	Confident	82.2	Confident	45 Å²	45	65 Å²	65	46%	0.464	33%	0.329	S	S	.	.	H	α-helix	trans	-60.5	-43.4	174	0	0	0	0	0	112.9	S302 T307 L308	S302-G304 PolarHBondContact O-N 3.06Å; G304-T307 PolarHBondContact O-N 3.37Å; G304-L308 WeakPolarHBondContact O-CB 3.4Å; G304-L308 PolarHBondContact O-N 3.28Å
305	L	79.7	Confident	82	Confident	59 Å²	59	65.1 Å²	65.1	31%	0.309	33%	0.331	S	S	.	.	H	α-helix	trans	-72.3	-33.5	179.8	-170.5	53.1	0	0	0	112.3	A299 S302 L308 T309	A299-L305 HydrophobicContact CB-CB 4.43Å; A299-L305 HydrophobicContact CB-CD2 3.66Å; A299-L305 HydrophobicContact CB-CG 3.9Å; S302-L305 PolarHBondContact O-N 3.43Å; S302-L305 PolarHBondContact OG-N 2.76Å; L305-L308 HydrophobicContact CD1-CD2 4.06Å; L305-T309 WeakPolarHBondContact O-CB 3.38Å; L305-T309 PolarHBondContact O-N 2.89Å; L305-T309 PolarHBondContact O-OG1 3.32Å
306	Q	79.8	Confident	81.8	Confident	77 Å²	77	67 Å²	67	36%	0.36	34%	0.341	S	S	.	.	H	α-helix	trans	-64.8	-46	172.4	-58.4	-178.5	5.5	0	0	111.3	M249 A299 R300 S302 S303 T309 Y310	M249-Q306 HydrophobicContact CE-CB 4.36Å; M249-Q306 HydrophobicContact CE-CG 3.66Å; A299-Q306 WeakPolarHBondContact O-CG 3.41Å; A299-Q306 PolarHBondContact O-NE2 3.48Å; R300-Q306 PolarHBondContact O-NE2 3.17Å; R300-Q306 VanDerWaalsContact O-NE2 3.09Å; S302-Q306 WeakPolarHBondContact O-CG 3.1Å; S302-Q306 PolarHBondContact O-N 2.76Å; S302-Q306 VanDerWaalsContact O-N 3.14Å; S303-Q306 PolarHBondContact O-N 2.76Å; Q306-T309 WeakPolarHBondContact O-CB 3.38Å; Q306-T309 PolarHBondContact O-N 3.41Å; Q306-Y310 PolarHBondContact O-N 3.13Å
307	T	75.6	Confident	81.7	Confident	28 Å²	28	69.1 Å²	69.1	17%	0.172	35%	0.35	C	S	.	.	H	α-helix	trans	-61.9	-44.8	176.5	-54.8	0	0	0	0	110.9	S303 G304 T309 Y310 A311 Y408	S303-T307 WeakPolarHBondContact O-CB 3.27Å; S303-T307 PolarHBondContact O-N 2.81Å; S303-T307 PolarHBondContact O-OG1 2.88Å; G304-T307 PolarHBondContact O-N 3.37Å; T307-T309 VanDerWaalsContact C-N 3.33Å; T307-T309 PolarHBondContact O-N 2.77Å; T307-Y310 PolarHBondContact O-N 3.1Å; T307-A311 WeakPolarHBondContact O-CB 3.29Å; T307-A311 PolarHBondContact O-N 2.91Å; T307-Y408 HydrophobicContact CG2-CD2 3.6Å; T307-Y408 HydrophobicContact CG2-CE2 4.18Å
308	L	79.9	Confident	81.6	Confident	75 Å²	75	71.4 Å²	71.4	39%	0.393	36%	0.361	S	S	.	.	H	α-helix	trans	-57.9	-45.6	174.9	-179.5	63.6	0	0	0	111.5	G304 L305 Y310 A311 L312 F404	G304-L308 WeakPolarHBondContact O-CB 3.4Å; G304-L308 PolarHBondContact O-N 3.28Å; L305-L308 HydrophobicContact CD1-CD2 4.06Å; L308-Y310 VanDerWaalsContact C-N 3.35Å; L308-Y310 PolarHBondContact O-N 3.46Å; L308-A311 PolarHBondContact O-N 3.16Å; L308-L312 HydrophobicContact CD1-CD1 4.21Å; L308-L312 HydrophobicContact CD1-CG 4.16Å; L308-L312 HydrophobicContact CG-CD1 3.99Å; L308-L312 HydrophobicContact CG-CG 4.37Å; L308-L312 WeakPolarHBondContact O-CB 3.46Å; L308-L312 VanDerWaalsContact O-CG 3.27Å; L308-L312 WeakPolarHBondContact O-CG 3.29Å; L308-L312 PolarHBondContact O-N 3.38Å; L308-F404 HydrophobicContact CD1-CE2 4.27Å
309	T	79.7	Confident	81.7	Confident	65 Å²	65	72 Å²	72	40%	0.399	36%	0.364	S	S	.	.	H	α-helix	trans	-60.6	-44.5	178.5	-57.5	0	0	0	0	111.6	L305 Q306 T307 K313	L305-T309 WeakPolarHBondContact O-CB 3.38Å; L305-T309 PolarHBondContact O-N 2.89Å; L305-T309 PolarHBondContact O-OG1 3.32Å; Q306-T309 WeakPolarHBondContact O-CB 3.38Å; Q306-T309 PolarHBondContact O-N 3.41Å; T307-T309 VanDerWaalsContact C-N 3.33Å; T307-T309 PolarHBondContact O-N 2.77Å; T309-K313 WeakPolarHBondContact O-CB 3.42Å; T309-K313 PolarHBondContact O-N 3.1Å
310	Y	76.5	Confident	81.9	Confident	110 Å²	110	73.4 Å²	73.4	43%	0.431	38%	0.379	S	S	.	.	H	α-helix	trans	-64.3	-47.3	177.2	-170.2	-70.8	0	0	0	111.4	Q306 T307 L308 L312 K313 R314 F407	Q306-Y310 PolarHBondContact O-N 3.13Å; T307-Y310 PolarHBondContact O-N 3.1Å; L308-Y310 VanDerWaalsContact C-N 3.35Å; L308-Y310 PolarHBondContact O-N 3.46Å; Y310-L312 VanDerWaalsContact C-N 3.34Å; Y310-L312 PolarHBondContact O-N 3.05Å; Y310-K313 WeakPolarHBondContact O-CB 3.23Å; Y310-K313 PolarHBondContact O-N 3.26Å; Y310-K313 VanDerWaalsContact O-N 3.16Å; Y310-R314 PolarHBondContact O-N 3.14Å; Y310-F407 AromaticContact CD1-CD1 3.81Å; Y310-F407 HydrophobicContact CD1-CD1 3.81Å; Y310-F407 AromaticContact CD1-CE1 3.06Å; Y310-F407 HydrophobicContact CD1-CE1 3.06Å; Y310-F407 AromaticContact CD1-CE2 3.89Å; Y310-F407 HydrophobicContact CD1-CE2 3.89Å; Y310-F407 AromaticContact CD1-CZ 3.16Å; Y310-F407 HydrophobicContact CD1-CZ 3.16Å; Y310-F407 HydrophobicContact CE1-CD1 4.15Å; Y310-F407 HydrophobicContact CE1-CD2 4.06Å; Y310-F407 AromaticContact CE1-CE1 3.35Å; Y310-F407 HydrophobicContact CE1-CE1 3.35Å; Y310-F407 AromaticContact CE1-CE2 3.22Å; Y310-F407 HydrophobicContact CE1-CE2 3.22Å; Y310-F407 HydrophobicContact CE1-CG 4.49Å; Y310-F407 AromaticContact CE1-CZ 2.83Å; Y310-F407 HydrophobicContact CE1-CZ 2.83Å; Y310-F407 HydrophobicContact CE2-CZ 4.37Å; Y310-F407 AromaticContact CG-CE1 3.92Å; Y310-F407 HydrophobicContact CG-CE1 3.92Å; Y310-F407 HydrophobicContact CG-CZ 4.11Å; Y310-F407 AromaticContact CZ-CE2 3.92Å; Y310-F407 AromaticContact CZ-CZ 3.48Å; Y310-F407 VanDerWaalsContact CZ-CZ 3.48Å
311	A	77.6	Confident	82	Confident	3 Å²	3	74.5 Å²	74.5	3%	0.025	39%	0.388	C	S	.	.	H	α-helix	trans	-64.7	-38	-178.8	0	0	0	0	0	112.2	T307 L308 R314 S315 F404 F407	T307-A311 WeakPolarHBondContact O-CB 3.29Å; T307-A311 PolarHBondContact O-N 2.91Å; L308-A311 PolarHBondContact O-N 3.16Å; A311-R314 PolarHBondContact O-N 3.08Å; A311-S315 WeakPolarHBondContact O-CB 3.25Å; A311-S315 PolarHBondContact O-N 3.42Å; A311-S315 PolarHBondContact O-OG 3.12Å; A311-F404 HydrophobicContact CB-CD2 3.33Å; A311-F404 HydrophobicContact CB-CE2 3.73Å; A311-F404 HydrophobicContact CB-CG 4.38Å; A311-F407 HydrophobicContact CB-CD1 4.5Å
312	L	80.8	Confident	82.4	Confident	75 Å²	75	73 Å²	73	39%	0.393	38%	0.381	S	S	.	.	H	α-helix	trans	-62.3	-44.5	171.6	-75.7	173.4	0	0	0	111.5	L308 Y310 R314 S315 L316	L308-L312 HydrophobicContact CD1-CD1 4.21Å; L308-L312 HydrophobicContact CD1-CG 4.16Å; L308-L312 HydrophobicContact CG-CD1 3.99Å; L308-L312 HydrophobicContact CG-CG 4.37Å; L308-L312 WeakPolarHBondContact O-CB 3.46Å; L308-L312 VanDerWaalsContact O-CG 3.27Å; L308-L312 WeakPolarHBondContact O-CG 3.29Å; L308-L312 PolarHBondContact O-N 3.38Å; Y310-L312 VanDerWaalsContact C-N 3.34Å; Y310-L312 PolarHBondContact O-N 3.05Å; L312-R314 VanDerWaalsContact C-N 3.27Å; L312-R314 PolarHBondContact O-N 3.04Å; L312-S315 CarbonylContact O-C 3.49Å; L312-S315 PolarHBondContact O-N 3.04Å; L312-S315 VanDerWaalsContact O-N 3.08Å; L312-L316 PolarHBondContact O-N 2.99Å
313	K	81.6	Confident	82.8	Confident	146 Å²	146	75.9 Å²	75.9	64%	0.635	39%	0.392	S	S	*	.	H	α-helix	trans	-57.6	-40.9	177.1	-173.7	-179.9	178.6	-177.9	0	111.8	T309 Y310 L316	T309-K313 WeakPolarHBondContact O-CB 3.42Å; T309-K313 PolarHBondContact O-N 3.1Å; Y310-K313 WeakPolarHBondContact O-CB 3.23Å; Y310-K313 PolarHBondContact O-N 3.26Å; Y310-K313 VanDerWaalsContact O-N 3.16Å; K313-L316 HydrophobicContact CG-CD1 4.31Å; K313-L316 WeakPolarHBondContact O-CD1 3.48Å; K313-L316 VanDerWaalsContact O-CG 3.28Å; K313-L316 WeakPolarHBondContact O-CG 3.38Å
314	R	79.5	Confident	83.6	Confident	192 Å²	192	76.3 Å²	76.3	73%	0.725	39%	0.386	S	S	*	.	H	α-helix	trans	-73.7	-30.2	177.4	-166.8	62.6	171.4	-169	-2.5	112.5	Y310 A311 L312 L316	Y310-R314 PolarHBondContact O-N 3.14Å; A311-R314 PolarHBondContact O-N 3.08Å; L312-R314 VanDerWaalsContact C-N 3.27Å; L312-R314 PolarHBondContact O-N 3.04Å; R314-L316 VanDerWaalsContact C-N 3.33Å
315	S	83.9	Confident	84.3	Confident	7 Å²	7	79.6 Å²	79.6	5%	0.049	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	12	179.4	-50.5	0	0	0	0	113.7	A311 L312 K317 E318 L319	A311-S315 WeakPolarHBondContact O-CB 3.25Å; A311-S315 PolarHBondContact O-N 3.42Å; A311-S315 PolarHBondContact O-OG 3.12Å; L312-S315 CarbonylContact O-C 3.49Å; L312-S315 PolarHBondContact O-N 3.04Å; L312-S315 VanDerWaalsContact O-N 3.08Å; S315-K317 PolarHBondContact O-N 3.07Å; S315-E318 PolarHBondContact O-N 2.99Å; S315-E318 VanDerWaalsContact O-N 3.12Å; S315-L319 WeakPolarHBondContact O-CB 3.46Å; S315-L319 PolarHBondContact O-N 2.68Å
316	L	86.4	Confident	85	Confident	103 Å²	103	77.7 Å²	77.7	54%	0.539	38%	0.375	S	S	.	.	H	α-helix	trans	-57.5	-34	-177.9	-79.6	173.7	0	0	0	113.1	L312 K313 R314 G320	L312-L316 PolarHBondContact O-N 2.99Å; K313-L316 HydrophobicContact CG-CD1 4.31Å; K313-L316 WeakPolarHBondContact O-CD1 3.48Å; K313-L316 VanDerWaalsContact O-CG 3.28Å; K313-L316 WeakPolarHBondContact O-CG 3.38Å; R314-L316 VanDerWaalsContact C-N 3.33Å; L316-G320 PolarHBondContact O-N 2.69Å
317	K	87.2	Confident	85.8	Confident	173 Å²	173	75.8 Å²	75.8	75%	0.752	38%	0.376	S	S	*	.	H	α-helix	trans	-63.9	-48.1	176.6	-174.1	-176.1	176	-172.6	0	111.3	S315 G320 L321	S315-K317 PolarHBondContact O-N 3.07Å; K317-G320 PolarHBondContact O-N 3.34Å; K317-L321 PolarHBondContact O-N 3.23Å
318	E	87.7	Confident	86.8	Confident	52 Å²	52	78.8 Å²	78.8	24%	0.243	39%	0.393	C	S	.	.	H	α-helix	trans	-68.1	-41.3	179.3	-56.1	-52.9	145.1	0	0	111.6	S315 G320 L321 L322 I400	S315-E318 PolarHBondContact O-N 2.99Å; S315-E318 VanDerWaalsContact O-N 3.12Å; E318-G320 VanDerWaalsContact C-N 3.33Å; E318-G320 PolarHBondContact O-N 2.76Å; E318-L321 WeakPolarHBondContact O-CB 3.24Å; E318-L321 PolarHBondContact O-N 3.11Å; E318-L322 PolarHBondContact O-N 3.11Å; E318-I400 HydrophobicContact CB-CD1 4.16Å; E318-I400 HydrophobicContact CB-CG1 3.62Å
319	L	89	Confident	87.6	Confident	56 Å²	56	75.6 Å²	75.6	29%	0.293	38%	0.379	S	S	.	.	H	α-helix	trans	-62.8	-41.3	173.9	-177.9	63.7	0	0	0	111.4	S315 L321 L322 L323	S315-L319 WeakPolarHBondContact O-CB 3.46Å; S315-L319 PolarHBondContact O-N 2.68Å; L319-L321 VanDerWaalsContact C-N 3.31Å; L319-L321 PolarHBondContact O-N 3.35Å; L319-L322 HydrophobicContact CD1-CD2 4.35Å; L319-L322 WeakPolarHBondContact O-CB 3.46Å; L319-L322 PolarHBondContact O-N 3.41Å; L319-L323 HydrophobicContact CG-CD1 4.39Å; L319-L323 WeakPolarHBondContact O-CG 3.33Å; L319-L323 PolarHBondContact O-N 3.3Å
320	G	90.4	Very high	88.4	Confident	36 Å²	36	73.9 Å²	73.9	37%	0.371	37%	0.367	S	S	.	.	H	α-helix	trans	-61.5	-39.9	175	0	0	0	0	0	112.2	L316 K317 E318 L323 M324	L316-G320 PolarHBondContact O-N 2.69Å; K317-G320 PolarHBondContact O-N 3.34Å; E318-G320 VanDerWaalsContact C-N 3.33Å; E318-G320 PolarHBondContact O-N 2.76Å; G320-L323 PolarHBondContact O-N 3.16Å; G320-M324 WeakPolarHBondContact O-CB 3.46Å; G320-M324 PolarHBondContact O-N 2.92Å
321	L	89.3	Confident	89.4	Confident	61 Å²	61	74.5 Å²	74.5	32%	0.319	37%	0.372	S	S	.	.	H	α-helix	trans	-64.2	-43.9	175.2	-170.8	71.8	0	0	0	112	K317 E318 L319 M324 Y325	K317-L321 PolarHBondContact O-N 3.23Å; E318-L321 WeakPolarHBondContact O-CB 3.24Å; E318-L321 PolarHBondContact O-N 3.11Å; L319-L321 VanDerWaalsContact C-N 3.31Å; L319-L321 PolarHBondContact O-N 3.35Å; L321-M324 HydrophobicContact CD1-CE 3.6Å; L321-M324 WeakPolarHBondContact O-CB 3.47Å; L321-M324 PolarHBondContact O-N 3.16Å; L321-Y325 HydrophobicContact CD1-CE1 4.35Å; L321-Y325 HydrophobicContact CD1-CE2 3.96Å; L321-Y325 HydrophobicContact CD2-CE2 3.82Å; L321-Y325 HydrophobicContact CG-CD2 4.11Å; L321-Y325 HydrophobicContact CG-CE2 3.53Å; L321-Y325 WeakPolarHBondContact O-CD2 3.28Å; L321-Y325 PolarHBondContact O-N 2.8Å
322	L	91	Very high	90.4	Very high	27 Å²	27	77.5 Å²	77.5	14%	0.141	39%	0.39	C	S	.	.	H	α-helix	trans	-57.4	-49.2	173.8	173.7	63.8	0	0	0	111.6	E318 L319 M324 Y325 M326 A392 P396	E318-L322 PolarHBondContact O-N 3.11Å; L319-L322 HydrophobicContact CD1-CD2 4.35Å; L319-L322 WeakPolarHBondContact O-CB 3.46Å; L319-L322 PolarHBondContact O-N 3.41Å; L322-M324 VanDerWaalsContact C-N 3.3Å; L322-M324 PolarHBondContact O-N 3.23Å; L322-Y325 PolarHBondContact O-N 3.44Å; L322-M326 HydrophobicContact CD1-CG 4.25Å; L322-M326 WeakPolarHBondContact O-CB 3.28Å; L322-M326 WeakPolarHBondContact O-CG 3.21Å; L322-M326 PolarHBondContact O-N 3.47Å; L322-A392 VanDerWaalsContact CD1-O 3.31Å; L322-A392 WeakPolarHBondContact CD1-O 3.38Å; L322-P396 HydrophobicContact CB-CB 3.91Å; L322-P396 HydrophobicContact CB-CG 4.02Å; L322-P396 HydrophobicContact CD1-CB 4.27Å; L322-P396 HydrophobicContact CD1-CG 3.85Å
323	L	92.2	Very high	91.2	Very high	113 Å²	113	74.9 Å²	74.9	59%	0.592	38%	0.375	S	S	*	.	H	α-helix	trans	-63.7	-36.3	179	-69	175.7	0	0	0	112	L319 G320 G327	L319-L323 HydrophobicContact CG-CD1 4.39Å; L319-L323 WeakPolarHBondContact O-CG 3.33Å; L319-L323 PolarHBondContact O-N 3.3Å; G320-L323 PolarHBondContact O-N 3.16Å; L323-G327 PolarHBondContact O-N 2.76Å
324	M	92.3	Very high	92	Very high	100 Å²	100	67.9 Å²	67.9	49%	0.493	35%	0.345	S	S	.	.	H	α-helix	trans	-63.8	-49.1	175.1	-176.5	-164.1	75.7	0	0	111.5	G320 L321 L322 M326 G327 V328	G320-M324 WeakPolarHBondContact O-CB 3.46Å; G320-M324 PolarHBondContact O-N 2.92Å; L321-M324 HydrophobicContact CD1-CE 3.6Å; L321-M324 WeakPolarHBondContact O-CB 3.47Å; L321-M324 PolarHBondContact O-N 3.16Å; L322-M324 VanDerWaalsContact C-N 3.3Å; L322-M324 PolarHBondContact O-N 3.23Å; M324-M326 PolarHBondContact O-N 3.38Å; M324-G327 PolarHBondContact O-N 3.37Å; M324-V328 WeakPolarHBondContact O-CG2 3.13Å; M324-V328 PolarHBondContact O-N 3.31Å
325	Y	91.3	Very high	92.9	Very high	113 Å²	113	60 Å²	60	44%	0.443	32%	0.32	S	S	.	.	H	α-helix	trans	-62.7	-43.6	178.2	-68.4	-36.9	0	0	0	112.5	L321 L322 V328 G329 P396	L321-Y325 HydrophobicContact CD1-CE1 4.35Å; L321-Y325 HydrophobicContact CD1-CE2 3.96Å; L321-Y325 HydrophobicContact CD2-CE2 3.82Å; L321-Y325 HydrophobicContact CG-CD2 4.11Å; L321-Y325 HydrophobicContact CG-CE2 3.53Å; L321-Y325 WeakPolarHBondContact O-CD2 3.28Å; L321-Y325 PolarHBondContact O-N 2.8Å; L322-Y325 PolarHBondContact O-N 3.44Å; Y325-V328 PolarHBondContact O-N 2.88Å; Y325-G329 PolarHBondContact O-N 2.9Å; Y325-P396 HydrophobicContact CD2-CG 4.38Å
326	M	94.1	Very high	93.5	Very high	20 Å²	20	62.6 Å²	62.6	10%	0.099	33%	0.334	C	S	.	.	H	α-helix	trans	-62.3	-43.1	174.4	-73.2	-64.5	-67.5	0	0	111.4	L322 M324 V328 G329 I330 M363 T364 A392 I393	L322-M326 HydrophobicContact CD1-CG 4.25Å; L322-M326 WeakPolarHBondContact O-CB 3.28Å; L322-M326 WeakPolarHBondContact O-CG 3.21Å; L322-M326 PolarHBondContact O-N 3.47Å; M324-M326 PolarHBondContact O-N 3.38Å; M326-V328 PolarHBondContact O-N 3.36Å; M326-G329 PolarHBondContact O-N 2.88Å; M326-I330 WeakPolarHBondContact O-CB 3.4Å; M326-I330 WeakPolarHBondContact O-CD1 3.34Å; M326-I330 WeakPolarHBondContact O-CG1 3.44Å; M326-I330 PolarHBondContact O-N 3Å; M326-M363 HydrophobicContact CE-CB 3.9Å; M326-M363 HydrophobicContact CE-CE 4.31Å; M326-M363 HydrophobicContact SD-CE 3.91Å; M326-T364 HydrophobicContact CE-CG2 3.86Å; M326-A392 HydrophobicContact SD-CB 4.06Å; M326-I393 HydrophobicContact CE-CD1 4.25Å; M326-I393 HydrophobicContact CE-CG1 4.39Å; M326-I393 HydrophobicContact SD-CD1 4.32Å; M326-I393 HydrophobicContact SD-CG1 3.85Å
327	G	96	Very high	94	Very high	37 Å²	37	57.7 Å²	57.7	38%	0.381	31%	0.308	S	S	.	.	H	α-helix	trans	-60.9	-44.9	178.6	0	0	0	0	0	113.1	L323 M324 F331	L323-G327 PolarHBondContact O-N 2.76Å; M324-G327 PolarHBondContact O-N 3.37Å; G327-F331 WeakPolarHBondContact O-CB 3.37Å; G327-F331 PolarHBondContact O-N 3.32Å
328	V	96.2	Very high	94.5	Very high	90 Å²	90	52.4 Å²	52.4	55%	0.545	28%	0.284	S	S	.	.	H	α-helix	trans	-62.8	-46.2	174.9	173.4	0	0	0	0	110.8	M324 Y325 M326 F331 V332	M324-V328 WeakPolarHBondContact O-CG2 3.13Å; M324-V328 PolarHBondContact O-N 3.31Å; Y325-V328 PolarHBondContact O-N 2.88Å; M326-V328 PolarHBondContact O-N 3.36Å; V328-F331 PolarHBondContact O-N 2.65Å; V328-V332 HydrophobicContact CG1-CG2 4.37Å; V328-V332 WeakPolarHBondContact O-CG2 3.49Å; V328-V332 PolarHBondContact O-N 2.9Å
329	G	96.2	Very high	94.8	Very high	9 Å²	9	53.7 Å²	53.7	9%	0.093	30%	0.295	C	S	.	.	H	α-helix	trans	-61.8	-46.5	178.5	0	0	0	0	0	112.6	Y325 M326 F331 V332 F333 M363	Y325-G329 PolarHBondContact O-N 2.9Å; M326-G329 PolarHBondContact O-N 2.88Å; G329-F331 VanDerWaalsContact C-N 3.31Å; G329-F331 PolarHBondContact O-N 3.42Å; G329-V332 PolarHBondContact O-N 3.3Å; G329-F333 WeakPolarHBondContact O-CB 3.23Å; G329-F333 WeakPolarHBondContact O-CD2 3.29Å; G329-F333 PolarHBondContact O-N 3.14Å; G329-M363 VanDerWaalsContact C-SD 3.53Å
330	I	97.6	Very high	95.2	Very high	29 Å²	29	53.7 Å²	53.7	15%	0.149	30%	0.295	C	S	.	.	H	α-helix	trans	-55.7	-49.4	175.9	-71.5	159.4	0	0	0	109.6	M326 V332 S334 F356 A359 I360 M363	M326-I330 WeakPolarHBondContact O-CB 3.4Å; M326-I330 WeakPolarHBondContact O-CD1 3.34Å; M326-I330 WeakPolarHBondContact O-CG1 3.44Å; M326-I330 PolarHBondContact O-N 3Å; I330-V332 PolarHBondContact O-N 3.38Å; I330-S334 WeakPolarHBondContact O-CB 3.41Å; I330-S334 PolarHBondContact O-N 3.07Å; I330-S334 PolarHBondContact O-OG 2.99Å; I330-F356 HydrophobicContact CG2-CB 3.96Å; I330-F356 HydrophobicContact CG2-CD1 3.83Å; I330-F356 HydrophobicContact CG2-CG 4.05Å; I330-A359 HydrophobicContact CB-CB 4.49Å; I330-A359 HydrophobicContact CG2-CB 4.26Å; I330-I360 HydrophobicContact CD1-CD1 4.49Å; I330-I360 HydrophobicContact CD1-CG1 3.53Å; I330-I360 HydrophobicContact CG1-CG1 3.93Å; I330-I360 HydrophobicContact CG2-CG1 4.13Å; I330-M363 HydrophobicContact CG1-SD 3.95Å; I330-M363 PolarHBondContact N-SD 3.34Å
331	F	97.9	Very high	95.4	Very high	123 Å²	123	52 Å²	52	54%	0.539	28%	0.277	S	S	.	.	H	α-helix	trans	-59.4	-50.3	179.9	-176.8	-92.5	0	0	0	112.5	G327 V328 G329 A335 F356	G327-F331 WeakPolarHBondContact O-CB 3.37Å; G327-F331 PolarHBondContact O-N 3.32Å; V328-F331 PolarHBondContact O-N 2.65Å; G329-F331 VanDerWaalsContact C-N 3.31Å; G329-F331 PolarHBondContact O-N 3.42Å; F331-A335 WeakPolarHBondContact O-CB 3.09Å; F331-A335 PolarHBondContact O-N 3.47Å; F331-A335 VanDerWaalsContact O-N 3.07Å; F331-F356 HydrophobicContact CD2-CE1 4.05Å; F331-F356 AromaticContact CD2-CZ 3.93Å; F331-F356 HydrophobicContact CD2-CZ 3.93Å; F331-F356 HydrophobicContact CE2-CZ 4.49Å
332	V	97.9	Very high	95.6	Very high	65 Å²	65	54.4 Å²	54.4	39%	0.394	29%	0.286	S	S	.	.	H	α-helix	trans	-65.1	-52.3	-177	171.3	0	0	0	0	111.5	V328 G329 I330 S334 A335 L336	V328-V332 HydrophobicContact CG1-CG2 4.37Å; V328-V332 WeakPolarHBondContact O-CG2 3.49Å; V328-V332 PolarHBondContact O-N 2.9Å; G329-V332 PolarHBondContact O-N 3.3Å; I330-V332 PolarHBondContact O-N 3.38Å; V332-S334 VanDerWaalsContact C-N 3.3Å; V332-S334 PolarHBondContact O-N 3.12Å; V332-A335 PolarHBondContact O-N 3.04Å; V332-L336 HydrophobicContact CG1-CD1 3.99Å; V332-L336 WeakPolarHBondContact O-CG 3.27Å; V332-L336 PolarHBondContact O-N 3.4Å
333	F	97.8	Very high	95.5	Very high	20 Å²	20	57.8 Å²	57.8	9%	0.088	31%	0.313	C	S	.	.	H	α-helix	trans	-68.4	-30.8	-176.1	-68.9	-58.3	0	0	0	112.5	G329 L336 A337 W358 A359 M363 N381 V384 C388	G329-F333 WeakPolarHBondContact O-CB 3.23Å; G329-F333 WeakPolarHBondContact O-CD2 3.29Å; G329-F333 PolarHBondContact O-N 3.14Å; F333-L336 HydrophobicContact CD1-CD1 4.39Å; F333-A337 VanDerWaalsContact O-CB 3.24Å; F333-A337 WeakPolarHBondContact O-CB 3.37Å; F333-A337 PolarHBondContact O-N 3.2Å; F333-W358 HydrophobicContact CB-CZ3 4.39Å; F333-A359 HydrophobicContact CB-CB 4.48Å; F333-M363 HydrophobicContact CD2-CE 4.35Å; F333-M363 HydrophobicContact CD2-CG 4.41Å; F333-M363 HydrophobicContact CD2-SD 3.83Å; F333-M363 HydrophobicContact CE2-CE 4.38Å; F333-M363 HydrophobicContact CE2-SD 4.43Å; F333-N381 WeakPolarHBondContact CD1-OD1 3.36Å; F333-N381 PolarHBondContact O-ND2 3.49Å; F333-V384 HydrophobicContact CE1-CG1 3.92Å; F333-V384 HydrophobicContact CZ-CG1 4.21Å; F333-C388 HydrophobicContact CE2-CB 3.71Å; F333-C388 HydrophobicContact CZ-CB 3.66Å
334	S	97.9	Very high	95.5	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-68.6	-41	171.9	-67	0	0	0	0	112.9	I330 V332 A337 Y338 S355 F356 A359	I330-S334 WeakPolarHBondContact O-CB 3.41Å; I330-S334 PolarHBondContact O-N 3.07Å; I330-S334 PolarHBondContact O-OG 2.99Å; V332-S334 VanDerWaalsContact C-N 3.3Å; V332-S334 PolarHBondContact O-N 3.12Å; S334-A337 PolarHBondContact O-N 2.97Å; S334-Y338 VanDerWaalsContact O-CB 3.32Å; S334-Y338 WeakPolarHBondContact O-CB 3.41Å; S334-Y338 PolarHBondContact O-N 3.33Å; S334-S355 PolarHBondContact OG-O 2.93Å; S334-F356 VanDerWaalsContact OG-CA 3.26Å; S334-F356 WeakPolarHBondContact OG-CA 3.38Å; S334-F356 WeakPolarHBondContact OG-CD1 3.41Å; S334-F356 PolarHBondContact OG-N 3.17Å; S334-A359 WeakPolarHBondContact OG-CB 3.34Å
335	A	97.8	Very high	95.3	Very high	25 Å²	25	56.1 Å²	56.1	21%	0.207	31%	0.311	C	S	.	.	H	α-helix	trans	-64.6	-41.4	175.2	0	0	0	0	0	111.7	F331 V332 T339 I352	F331-A335 WeakPolarHBondContact O-CB 3.09Å; F331-A335 PolarHBondContact O-N 3.47Å; F331-A335 VanDerWaalsContact O-N 3.07Å; V332-A335 PolarHBondContact O-N 3.04Å; A335-T339 WeakPolarHBondContact O-CB 3.42Å; A335-T339 WeakPolarHBondContact O-CG2 3.45Å; A335-T339 PolarHBondContact O-N 2.96Å; A335-T339 PolarHBondContact O-OG1 3.5Å; A335-I352 HydrophobicContact CB-CD1 4.37Å; A335-I352 HydrophobicContact CB-CG2 4.46Å
336	L	97.4	Very high	95.4	Very high	63 Å²	63	56.7 Å²	56.7	33%	0.33	32%	0.318	S	S	.	.	H	α-helix	trans	-65.1	-46.1	174.5	-69.6	174.1	0	0	0	112	V332 F333 Y338 T339 M340 N381	V332-L336 HydrophobicContact CG1-CD1 3.99Å; V332-L336 WeakPolarHBondContact O-CG 3.27Å; V332-L336 PolarHBondContact O-N 3.4Å; F333-L336 HydrophobicContact CD1-CD1 4.39Å; L336-Y338 PolarHBondContact O-N 3.01Å; L336-T339 WeakPolarHBondContact CA-OG1 3.42Å; L336-T339 PolarHBondContact O-N 3.32Å; L336-T339 PolarHBondContact O-OG1 2.93Å; L336-T339 VanDerWaalsContact O-OG1 3.04Å; L336-M340 HydrophobicContact CB-CE 4.5Å; L336-M340 HydrophobicContact CD2-CE 4.19Å; L336-M340 VanDerWaalsContact O-CB 3.29Å; L336-M340 WeakPolarHBondContact O-CB 3.2Å; L336-M340 WeakPolarHBondContact O-CG 3.43Å; L336-M340 PolarHBondContact O-N 2.91Å; L336-N381 WeakPolarHBondContact CB-OD1 3.43Å
337	A	96.6	Very high	95.3	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-61.2	-45.1	178.2	0	0	0	0	0	111.6	F333 S334 E341 F349 W358 N381	F333-A337 VanDerWaalsContact O-CB 3.24Å; F333-A337 WeakPolarHBondContact O-CB 3.37Å; F333-A337 PolarHBondContact O-N 3.2Å; S334-A337 PolarHBondContact O-N 2.97Å; A337-E341 WeakPolarHBondContact O-CB 3.39Å; A337-E341 VanDerWaalsContact O-CG 3.27Å; A337-E341 WeakPolarHBondContact O-CG 3.23Å; A337-E341 PolarHBondContact O-N 2.65Å; A337-F349 HydrophobicContact CB-CD1 3.88Å; A337-F349 HydrophobicContact CB-CE1 3.58Å; A337-F349 HydrophobicContact CB-CZ 4.2Å; A337-W358 HydrophobicContact CB-CE3 3.73Å; A337-W358 HydrophobicContact CB-CH2 3.99Å; A337-W358 HydrophobicContact CB-CZ3 3.43Å; A337-W358 VanDerWaalsContact CB-CZ3 3.43Å; A337-N381 PolarHBondContact N-ND2 3.29Å
338	Y	97	Very high	95.2	Very high	62 Å²	62	58.5 Å²	58.5	24%	0.243	32%	0.32	C	S	.	.	H	α-helix	trans	-57.5	-52.5	175.6	174.9	-113.8	0	0	0	111.5	S334 L336 E341 Q342 F349 R350 I352	S334-Y338 VanDerWaalsContact O-CB 3.32Å; S334-Y338 WeakPolarHBondContact O-CB 3.41Å; S334-Y338 PolarHBondContact O-N 3.33Å; L336-Y338 PolarHBondContact O-N 3.01Å; Y338-E341 PolarHBondContact O-N 3.48Å; Y338-Q342 HydrophobicContact CE2-CG 4.29Å; Y338-Q342 WeakPolarHBondContact O-CG 3.49Å; Y338-Q342 PolarHBondContact O-N 3.26Å; Y338-Q342 VanDerWaalsContact O-N 3.12Å; Y338-Q342 PolarHBondContact OH-NE2 3.15Å; Y338-F349 HydrophobicContact CD2-CB 4.46Å; Y338-F349 VanDerWaalsContact CD2-O 3.3Å; Y338-F349 WeakPolarHBondContact CD2-O 3.45Å; Y338-R350 WeakPolarHBondContact CE2-O 3.28Å; Y338-I352 HydrophobicContact CD1-CD1 4.12Å; Y338-I352 HydrophobicContact CD1-CG1 3.51Å; Y338-I352 HydrophobicContact CE1-CG1 4.11Å; Y338-I352 HydrophobicContact CG-CG1 3.89Å
339	T	96.1	Very high	95.2	Very high	78 Å²	78	54.3 Å²	54.3	48%	0.479	30%	0.295	S	S	.	.	H	α-helix	trans	-67.1	-38.5	-176.8	50.6	0	0	0	0	113.2	A335 L336	A335-T339 WeakPolarHBondContact O-CB 3.42Å; A335-T339 WeakPolarHBondContact O-CG2 3.45Å; A335-T339 PolarHBondContact O-N 2.96Å; A335-T339 PolarHBondContact O-OG1 3.5Å; L336-T339 WeakPolarHBondContact CA-OG1 3.42Å; L336-T339 PolarHBondContact O-N 3.32Å; L336-T339 PolarHBondContact O-OG1 2.93Å; L336-T339 VanDerWaalsContact O-OG1 3.04Å
340	M	96.1	Very high	95	Very high	57 Å²	57	63.1 Å²	63.1	28%	0.281	33%	0.325	S	S	.	.	H	α-helix	trans	-72.1	-32.4	179	-68.6	176.9	177.3	0	0	112.7	L336 S343 L377 N381	L336-M340 HydrophobicContact CB-CE 4.5Å; L336-M340 HydrophobicContact CD2-CE 4.19Å; L336-M340 VanDerWaalsContact O-CB 3.29Å; L336-M340 WeakPolarHBondContact O-CB 3.2Å; L336-M340 WeakPolarHBondContact O-CG 3.43Å; L336-M340 PolarHBondContact O-N 2.91Å; M340-S343 PolarHBondContact O-OG 3.2Å; M340-L377 HydrophobicContact CB-CB 4.23Å; M340-L377 HydrophobicContact CG-CB 4.19Å; M340-L377 HydrophobicContact SD-CB 3.99Å; M340-N381 HydrophobicContact SD-CB 3.8Å
341	E	95.6	Very high	94.9	Very high	0 Å²	0	64 Å²	64	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-90.9	-8.7	-177.2	-68.4	-70.7	130.4	0	0	114.2	A337 Y338 S343 H344 T347 F349 P373 K374 T375 G378	A337-E341 WeakPolarHBondContact O-CB 3.39Å; A337-E341 VanDerWaalsContact O-CG 3.27Å; A337-E341 WeakPolarHBondContact O-CG 3.23Å; A337-E341 PolarHBondContact O-N 2.65Å; Y338-E341 PolarHBondContact O-N 3.48Å; E341-S343 PolarHBondContact O-N 2.69Å; E341-S343 VanDerWaalsContact O-N 3.08Å; E341-H344 PolarHBondContact O-N 2.7Å; E341-T347 WeakPolarHBondContact CB-OG1 3.48Å; E341-T347 WeakPolarHBondContact O-CB 3.49Å; E341-F349 HydrophobicContact CB-CB 4.32Å; E341-F349 HydrophobicContact CB-CD2 3.73Å; E341-F349 HydrophobicContact CB-CE2 4.41Å; E341-F349 HydrophobicContact CB-CG 4.23Å; E341-F349 HydrophobicContact CG-CD2 3.64Å; E341-F349 HydrophobicContact CG-CE2 3.81Å; E341-F349 HydrophobicContact CG-CG 4.38Å; E341-P373 HydrophobicContact CG-CB 4.01Å; E341-P373 VanDerWaalsContact OE1-CB 3.28Å; E341-P373 WeakPolarHBondContact OE1-CB 3.08Å; E341-K374 VanDerWaalsContact CD-N 3.32Å; E341-K374 PolarHBondContact OE1-N 3.32Å; E341-K374 PolarHBondContact OE2-N 2.99Å; E341-T375 WeakPolarHBondContact OE1-CA 3.32Å; E341-T375 WeakPolarHBondContact OE1-CB 3.35Å; E341-T375 WeakPolarHBondContact OE1-CG2 3.3Å; E341-T375 PolarHBondContact OE1-N 2.98Å; E341-T375 PolarHBondContact OE1-OG1 2.82Å; E341-T375 PolarHBondContact OE2-N 3.05Å; E341-G378 WeakPolarHBondContact OE1-CA 3.44Å
342	Q	92.4	Very high	94.9	Very high	111 Å²	111	60.8 Å²	60.8	52%	0.519	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-27.4	177	-91.7	177.9	17.7	0	0	113.6	Y338 H344	Y338-Q342 HydrophobicContact CE2-CG 4.29Å; Y338-Q342 WeakPolarHBondContact O-CG 3.49Å; Y338-Q342 PolarHBondContact O-N 3.26Å; Y338-Q342 VanDerWaalsContact O-N 3.12Å; Y338-Q342 PolarHBondContact OH-NE2 3.15Å; Q342-H344 VanDerWaalsContact C-N 3.3Å; Q342-H344 PolarHBondContact O-N 3.23Å
343	S	88.7	Confident	94.8	Very high	99 Å²	99	61.9 Å²	61.9	69%	0.692	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-16.8	179.9	61.5	0	0	0	0	113.9	M340 E341	M340-S343 PolarHBondContact O-OG 3.2Å; E341-S343 PolarHBondContact O-N 2.69Å; E341-S343 VanDerWaalsContact O-N 3.08Å
344	H	92.8	Very high	94.7	Very high	52 Å²	52	64.4 Å²	64.4	24%	0.241	34%	0.342	C	S	.	.			trans	-92.8	124.4	-176.3	-163.9	-73.5	0	0	0	111.1	E341 Q342 E346 T347 K374 T375	E341-H344 PolarHBondContact O-N 2.7Å; Q342-H344 VanDerWaalsContact C-N 3.3Å; Q342-H344 PolarHBondContact O-N 3.23Å; H344-E346 VanDerWaalsContact C-N 3.26Å; H344-E346 PolarHBondContact ND1-N 3.25Å; H344-E346 PolarHBondContact O-N 3.36Å; H344-T347 WeakPolarHBondContact O-CB 3.28Å; H344-T347 VanDerWaalsContact O-CG2 3.29Å; H344-T347 WeakPolarHBondContact O-CG2 3.37Å; H344-T347 PolarHBondContact O-N 2.97Å; H344-T347 VanDerWaalsContact O-N 3.13Å; H344-K374 WeakPolarHBondContact CE1-CD 3.35Å; H344-T375 HydrophobicContact CB-CG2 3.87Å
345	P	88.3	Confident	94.6	Very high	125 Å²	125	64.4 Å²	64.4	81%	0.812	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-29.6	-172.7	23.5	-33.7	0	0	0	113.7
346	E	92.4	Very high	94.6	Very high	126 Å²	126	66.2 Å²	66.2	59%	0.589	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102	30.1	178.1	-54.6	-175.4	157.9	0	0	113.7	H344 K374	H344-E346 VanDerWaalsContact C-N 3.26Å; H344-E346 PolarHBondContact ND1-N 3.25Å; H344-E346 PolarHBondContact O-N 3.36Å; E346-K374 HydrophobicContact CB-CD 4.35Å; E346-K374 WeakPolarHBondContact O-CE 3.49Å; E346-K374 PolarHBondContact O-NZ 3.28Å; E346-K374 IonicContact OE2-NZ 2.87Å; E346-K374 PolarHBondContact OE2-NZ 2.98Å
347	T	93.2	Very high	94.6	Very high	33 Å²	33	68.7 Å²	68.7	20%	0.202	35%	0.351	C	S	.	.			trans	-67.2	141.4	177.7	-176.4	0	0	0	0	111.9	E341 H344 F349	E341-T347 WeakPolarHBondContact CB-OG1 3.48Å; E341-T347 WeakPolarHBondContact O-CB 3.49Å; H344-T347 WeakPolarHBondContact O-CB 3.28Å; H344-T347 VanDerWaalsContact O-CG2 3.29Å; H344-T347 WeakPolarHBondContact O-CG2 3.37Å; H344-T347 PolarHBondContact O-N 2.97Å; H344-T347 VanDerWaalsContact O-N 3.13Å; T347-F349 WeakPolarHBondContact OG1-CD2 3.33Å; T347-F349 PolarHBondContact OG1-N 3.42Å; T347-F349 VanDerWaalsContact OG1-N 3.16Å
348	L	93.8	Very high	94.6	Very high	61 Å²	61	69 Å²	69	32%	0.319	35%	0.352	S	S	.	.	S	Bend	trans	-93.8	-5.8	173.7	-62.3	174.5	0	0	0	112.1	R350 Q354 D370 I371	L348-R350 PolarHBondContact O-N 2.88Å; L348-R350 VanDerWaalsContact O-N 3.17Å; L348-Q354 PolarHBondContact O-OE1 3.32Å; L348-D370 VanDerWaalsContact CD1-O 3.26Å; L348-D370 WeakPolarHBondContact CD1-O 3.04Å; L348-I371 HydrophobicContact CB-CG1 4.48Å; L348-I371 HydrophobicContact CB-CG2 4.09Å
349	F	94.9	Very high	94.7	Very high	3 Å²	3	66 Å²	66	1%	0.013	34%	0.34	C	S	.	.			trans	-84.6	79.2	177.8	-61.2	-92	0	0	0	110.2	A337 Y338 E341 T347 S355 W358 I371 P373	A337-F349 HydrophobicContact CB-CD1 3.88Å; A337-F349 HydrophobicContact CB-CE1 3.58Å; A337-F349 HydrophobicContact CB-CZ 4.2Å; Y338-F349 HydrophobicContact CD2-CB 4.46Å; Y338-F349 VanDerWaalsContact CD2-O 3.3Å; Y338-F349 WeakPolarHBondContact CD2-O 3.45Å; E341-F349 HydrophobicContact CB-CB 4.32Å; E341-F349 HydrophobicContact CB-CD2 3.73Å; E341-F349 HydrophobicContact CB-CE2 4.41Å; E341-F349 HydrophobicContact CB-CG 4.23Å; E341-F349 HydrophobicContact CG-CD2 3.64Å; E341-F349 HydrophobicContact CG-CE2 3.81Å; E341-F349 HydrophobicContact CG-CG 4.38Å; T347-F349 WeakPolarHBondContact OG1-CD2 3.33Å; T347-F349 PolarHBondContact OG1-N 3.42Å; T347-F349 VanDerWaalsContact OG1-N 3.16Å; F349-S355 WeakPolarHBondContact CD1-OG 3.47Å; F349-W358 HydrophobicContact CE1-CB 3.9Å; F349-W358 AromaticContact CE1-CD2 3.54Å; F349-W358 HydrophobicContact CE1-CD2 3.54Å; F349-W358 AromaticContact CE1-CE3 3.8Å; F349-W358 HydrophobicContact CE1-CE3 3.8Å; F349-W358 AromaticContact CE1-CG 3.58Å; F349-W358 HydrophobicContact CE1-CG 3.58Å; F349-W358 HydrophobicContact CZ-CB 4.45Å; F349-W358 AromaticContact CZ-CD1 3.99Å; F349-W358 AromaticContact CZ-CD2 3.79Å; F349-W358 HydrophobicContact CZ-CD2 3.79Å; F349-W358 AromaticContact CZ-CE2 3.99Å; F349-W358 HydrophobicContact CZ-CE3 4.38Å; F349-W358 AromaticContact CZ-CG 3.78Å; F349-W358 HydrophobicContact CZ-CG 3.78Å; F349-I371 HydrophobicContact CD1-CG2 4.19Å; F349-I371 HydrophobicContact CD2-CG2 4.31Å; F349-I371 HydrophobicContact CE1-CG2 3.77Å; F349-I371 HydrophobicContact CE2-CG2 3.9Å; F349-I371 HydrophobicContact CG-CG2 4.44Å; F349-I371 HydrophobicContact CZ-CG2 3.62Å; F349-P373 HydrophobicContact CE2-CB 4.29Å
350	R	93.4	Very high	94.7	Very high	193 Å²	193	65.5 Å²	65.5	73%	0.728	33%	0.333	S	S	*	.			trans	-83.1	-27.4	-176.3	-50.1	-177.8	172.1	173.9	-2	113.8	Y338 L348	Y338-R350 WeakPolarHBondContact CE2-O 3.28Å; L348-R350 PolarHBondContact O-N 2.88Å; L348-R350 VanDerWaalsContact O-N 3.17Å
351	S	95.6	Very high	94.7	Very high	47 Å²	47	63 Å²	63	33%	0.329	32%	0.321	S	S	.	.	S	Bend	trans	-150.3	158.8	177.3	71.3	0	0	0	0	111.1	Q354 S355	S351-Q354 PolarHBondContact O-N 3.45Å; S351-Q354 WeakPolarHBondContact OG-CB 3.49Å; S351-Q354 PolarHBondContact OG-N 3.03Å; S351-S355 WeakPolarHBondContact O-CB 3.27Å; S351-S355 PolarHBondContact O-N 3.4Å; S351-S355 PolarHBondContact O-OG 3.33Å
352	I	96.3	Very high	94.8	Very high	57 Å²	57	64.1 Å²	64.1	29%	0.292	33%	0.328	S	S	.	.	H	α-helix	trans	-59.5	-46.2	176.9	-59.5	174.4	0	0	0	111.3	A335 Y338 Q354 S355 F356	A335-I352 HydrophobicContact CB-CD1 4.37Å; A335-I352 HydrophobicContact CB-CG2 4.46Å; Y338-I352 HydrophobicContact CD1-CD1 4.12Å; Y338-I352 HydrophobicContact CD1-CG1 3.51Å; Y338-I352 HydrophobicContact CE1-CG1 4.11Å; Y338-I352 HydrophobicContact CG-CG1 3.89Å; I352-Q354 VanDerWaalsContact C-N 3.34Å; I352-Q354 PolarHBondContact O-N 3.31Å; I352-S355 CarbonylContact O-C 3.51Å; I352-S355 WeakPolarHBondContact O-CA 3.39Å; I352-S355 VanDerWaalsContact O-CB 3.27Å; I352-S355 WeakPolarHBondContact O-CB 3.26Å; I352-S355 PolarHBondContact O-N 3.44Å; I352-F356 HydrophobicContact CG2-CE1 3.74Å; I352-F356 HydrophobicContact CG2-CZ 4.18Å; I352-F356 PolarHBondContact O-N 3.29Å; I352-F356 VanDerWaalsContact O-N 3.14Å
353	P	96.6	Very high	94.9	Very high	87 Å²	87	58.9 Å²	58.9	57%	0.565	30%	0.304	S	S	*	.	H	α-helix	trans	-62.4	-36.7	177.1	-25.1	36.1	0	0	0	114	S355 F356	P353-S355 PolarHBondContact O-N 3.19Å; P353-F356 HydrophobicContact CB-CD2 4.34Å; P353-F356 HydrophobicContact CB-CE2 4.32Å; P353-F356 VanDerWaalsContact O-CB 3.28Å; P353-F356 WeakPolarHBondContact O-CB 3.34Å; P353-F356 PolarHBondContact O-N 3.08Å
354	Q	94.9	Very high	95.3	Very high	73 Å²	73	56.5 Å²	56.5	34%	0.341	29%	0.285	S	S	.	.	H	α-helix	trans	-64.6	-36.2	173	-171.8	-171.5	11.3	0	0	111	L348 S351 I352 F356 W357 I371	L348-Q354 PolarHBondContact O-OE1 3.32Å; S351-Q354 PolarHBondContact O-N 3.45Å; S351-Q354 WeakPolarHBondContact OG-CB 3.49Å; S351-Q354 PolarHBondContact OG-N 3.03Å; I352-Q354 VanDerWaalsContact C-N 3.34Å; I352-Q354 PolarHBondContact O-N 3.31Å; Q354-F356 PolarHBondContact O-N 3.26Å; Q354-W357 PolarHBondContact O-N 2.91Å; Q354-I371 HydrophobicContact CG-CD1 4.46Å
355	S	96.9	Very high	95.4	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-68.7	-16	177.5	-50.8	0	0	0	0	112.8	S334 F349 S351 I352 P353 W357 W358 A359	S334-S355 PolarHBondContact OG-O 2.93Å; F349-S355 WeakPolarHBondContact CD1-OG 3.47Å; S351-S355 WeakPolarHBondContact O-CB 3.27Å; S351-S355 PolarHBondContact O-N 3.4Å; S351-S355 PolarHBondContact O-OG 3.33Å; I352-S355 CarbonylContact O-C 3.51Å; I352-S355 WeakPolarHBondContact O-CA 3.39Å; I352-S355 VanDerWaalsContact O-CB 3.27Å; I352-S355 WeakPolarHBondContact O-CB 3.26Å; I352-S355 PolarHBondContact O-N 3.44Å; P353-S355 PolarHBondContact O-N 3.19Å; S355-W357 VanDerWaalsContact C-N 3.29Å; S355-W357 PolarHBondContact O-N 2.97Å; S355-W358 PolarHBondContact O-N 3.31Å; S355-A359 PolarHBondContact O-N 3Å; S355-A359 VanDerWaalsContact O-N 3.09Å
356	F	97.8	Very high	95.8	Very high	64 Å²	64	56 Å²	56	28%	0.281	28%	0.284	S	S	.	.	H	α-helix	trans	-60.6	-39.6	171.9	-65.3	-21.2	0	0	0	111.3	I330 F331 S334 I352 P353 Q354 W358 A359 I360	I330-F356 HydrophobicContact CG2-CB 3.96Å; I330-F356 HydrophobicContact CG2-CD1 3.83Å; I330-F356 HydrophobicContact CG2-CG 4.05Å; F331-F356 HydrophobicContact CD2-CE1 4.05Å; F331-F356 AromaticContact CD2-CZ 3.93Å; F331-F356 HydrophobicContact CD2-CZ 3.93Å; F331-F356 HydrophobicContact CE2-CZ 4.49Å; S334-F356 VanDerWaalsContact OG-CA 3.26Å; S334-F356 WeakPolarHBondContact OG-CA 3.38Å; S334-F356 WeakPolarHBondContact OG-CD1 3.41Å; S334-F356 PolarHBondContact OG-N 3.17Å; I352-F356 HydrophobicContact CG2-CE1 3.74Å; I352-F356 HydrophobicContact CG2-CZ 4.18Å; I352-F356 PolarHBondContact O-N 3.29Å; I352-F356 VanDerWaalsContact O-N 3.14Å; P353-F356 HydrophobicContact CB-CD2 4.34Å; P353-F356 HydrophobicContact CB-CE2 4.32Å; P353-F356 VanDerWaalsContact O-CB 3.28Å; P353-F356 WeakPolarHBondContact O-CB 3.34Å; P353-F356 PolarHBondContact O-N 3.08Å; Q354-F356 PolarHBondContact O-N 3.26Å; F356-W358 VanDerWaalsContact C-N 3.33Å; F356-W358 PolarHBondContact O-N 3.44Å; F356-A359 PolarHBondContact O-N 2.81Å; F356-I360 HydrophobicContact CB-CD1 4.5Å; F356-I360 WeakPolarHBondContact O-CB 3.49Å; F356-I360 WeakPolarHBondContact O-CD1 3.35Å; F356-I360 WeakPolarHBondContact O-CG1 3.26Å; F356-I360 PolarHBondContact O-N 3.45Å
357	W	97.4	Very high	95.9	Very high	115 Å²	115	52.3 Å²	52.3	44%	0.436	28%	0.279	S	S	.	.	H	α-helix	trans	-57.2	-47.8	177	174.9	-116.4	0	0	0	111.4	Q354 S355 A359 I360 I361 Y368 D370	Q354-W357 PolarHBondContact O-N 2.91Å; S355-W357 VanDerWaalsContact C-N 3.29Å; S355-W357 PolarHBondContact O-N 2.97Å; W357-A359 PolarHBondContact O-N 3.03Å; W357-I360 PolarHBondContact O-N 3.21Å; W357-I361 HydrophobicContact CD2-CG2 4.09Å; W357-I361 HydrophobicContact CE3-CG2 4.13Å; W357-I361 HydrophobicContact CH2-CG2 3.87Å; W357-I361 HydrophobicContact CZ2-CG2 3.81Å; W357-I361 HydrophobicContact CZ3-CG2 4.02Å; W357-I361 WeakPolarHBondContact O-CG1 3.21Å; W357-I361 WeakPolarHBondContact O-CG2 3.42Å; W357-I361 PolarHBondContact O-N 3.14Å; W357-Y368 HydrophobicContact CH2-CD2 4.22Å; W357-Y368 AromaticContact CH2-CE2 3.78Å; W357-Y368 HydrophobicContact CH2-CE2 3.78Å; W357-Y368 AromaticContact CZ2-CD2 3.63Å; W357-Y368 HydrophobicContact CZ2-CD2 3.63Å; W357-Y368 AromaticContact CZ2-CE2 3.67Å; W357-Y368 HydrophobicContact CZ2-CE2 3.67Å; W357-D370 PolarHBondContact NE1-OD2 3.2Å
358	W	97.4	Very high	96	Very high	6 Å²	6	58.3 Å²	58.3	2%	0.023	30%	0.299	C	S	.	.	H	α-helix	trans	-59.9	-45.3	176	171	75.2	0	0	0	112.7	F333 A337 F349 S355 F356 I361 T362 I371 A382	F333-W358 HydrophobicContact CB-CZ3 4.39Å; A337-W358 HydrophobicContact CB-CE3 3.73Å; A337-W358 HydrophobicContact CB-CH2 3.99Å; A337-W358 HydrophobicContact CB-CZ3 3.43Å; A337-W358 VanDerWaalsContact CB-CZ3 3.43Å; F349-W358 HydrophobicContact CE1-CB 3.9Å; F349-W358 AromaticContact CE1-CD2 3.54Å; F349-W358 HydrophobicContact CE1-CD2 3.54Å; F349-W358 AromaticContact CE1-CE3 3.8Å; F349-W358 HydrophobicContact CE1-CE3 3.8Å; F349-W358 AromaticContact CE1-CG 3.58Å; F349-W358 HydrophobicContact CE1-CG 3.58Å; F349-W358 HydrophobicContact CZ-CB 4.45Å; F349-W358 AromaticContact CZ-CD1 3.99Å; F349-W358 AromaticContact CZ-CD2 3.79Å; F349-W358 HydrophobicContact CZ-CD2 3.79Å; F349-W358 AromaticContact CZ-CE2 3.99Å; F349-W358 HydrophobicContact CZ-CE3 4.38Å; F349-W358 AromaticContact CZ-CG 3.78Å; F349-W358 HydrophobicContact CZ-CG 3.78Å; S355-W358 PolarHBondContact O-N 3.31Å; F356-W358 VanDerWaalsContact C-N 3.33Å; F356-W358 PolarHBondContact O-N 3.44Å; W358-I361 VanDerWaalsContact O-CG1 3.29Å; W358-I361 WeakPolarHBondContact O-CG1 3.22Å; W358-T362 HydrophobicContact CZ2-CG2 4.26Å; W358-T362 PolarHBondContact NE1-OG1 2.99Å; W358-T362 WeakPolarHBondContact O-CB 3.47Å; W358-T362 PolarHBondContact O-N 3.37Å; W358-T362 PolarHBondContact O-OG1 3.31Å; W358-I371 HydrophobicContact CB-CB 4.12Å; W358-I371 HydrophobicContact CB-CG2 3.86Å; W358-I371 HydrophobicContact CG-CG2 4.13Å; W358-A382 HydrophobicContact CH2-CB 4.38Å; W358-A382 HydrophobicContact CZ2-CB 3.75Å
359	A	97.2	Very high	96	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-68.3	-39	-180	0	0	0	0	0	111.8	I330 F333 S334 S355 F356 W357 T362 M363	I330-A359 HydrophobicContact CB-CB 4.49Å; I330-A359 HydrophobicContact CG2-CB 4.26Å; F333-A359 HydrophobicContact CB-CB 4.48Å; S334-A359 WeakPolarHBondContact OG-CB 3.34Å; S355-A359 PolarHBondContact O-N 3Å; S355-A359 VanDerWaalsContact O-N 3.09Å; F356-A359 PolarHBondContact O-N 2.81Å; W357-A359 PolarHBondContact O-N 3.03Å; A359-T362 PolarHBondContact O-N 3.43Å; A359-M363 VanDerWaalsContact O-CB 3.22Å; A359-M363 WeakPolarHBondContact O-CB 3.19Å; A359-M363 VanDerWaalsContact O-CG 3.25Å; A359-M363 WeakPolarHBondContact O-CG 3.38Å; A359-M363 PolarHBondContact O-N 3.38Å
360	I	97	Very high	96	Very high	66 Å²	66	61.1 Å²	61.1	34%	0.338	33%	0.325	S	S	.	.	H	α-helix	trans	-57.1	-54.9	174.8	-71.3	162	0	0	0	109.8	I330 F356 W357 T362 T364	I330-I360 HydrophobicContact CD1-CD1 4.49Å; I330-I360 HydrophobicContact CD1-CG1 3.53Å; I330-I360 HydrophobicContact CG1-CG1 3.93Å; I330-I360 HydrophobicContact CG2-CG1 4.13Å; F356-I360 HydrophobicContact CB-CD1 4.5Å; F356-I360 WeakPolarHBondContact O-CB 3.49Å; F356-I360 WeakPolarHBondContact O-CD1 3.35Å; F356-I360 WeakPolarHBondContact O-CG1 3.26Å; F356-I360 PolarHBondContact O-N 3.45Å; W357-I360 PolarHBondContact O-N 3.21Å; I360-T362 VanDerWaalsContact C-N 3.32Å; I360-T362 PolarHBondContact O-N 3.42Å; I360-T364 WeakPolarHBondContact O-CB 3.49Å; I360-T364 VanDerWaalsContact O-CG2 3.3Å; I360-T364 WeakPolarHBondContact O-CG2 3.41Å; I360-T364 PolarHBondContact O-N 3.2Å; I360-T364 PolarHBondContact O-OG1 2.85Å
361	I	96.8	Very high	96.1	Very high	5 Å²	5	52.7 Å²	52.7	3%	0.026	29%	0.294	C	S	.	.	H	α-helix	trans	-69.8	-28.8	-176.1	67.4	-178.8	0	0	0	112.7	W357 W358 T365 V366 G367 Y368 D370	W357-I361 HydrophobicContact CD2-CG2 4.09Å; W357-I361 HydrophobicContact CE3-CG2 4.13Å; W357-I361 HydrophobicContact CH2-CG2 3.87Å; W357-I361 HydrophobicContact CZ2-CG2 3.81Å; W357-I361 HydrophobicContact CZ3-CG2 4.02Å; W357-I361 WeakPolarHBondContact O-CG1 3.21Å; W357-I361 WeakPolarHBondContact O-CG2 3.42Å; W357-I361 PolarHBondContact O-N 3.14Å; W358-I361 VanDerWaalsContact O-CG1 3.29Å; W358-I361 WeakPolarHBondContact O-CG1 3.22Å; I361-T365 PolarHBondContact O-N 3.25Å; I361-V366 HydrophobicContact CB-CB 4.3Å; I361-V366 PolarHBondContact O-N 2.8Å; I361-G367 PolarHBondContact O-N 3.22Å; I361-Y368 HydrophobicContact CB-CD2 4.43Å; I361-Y368 HydrophobicContact CD1-CD2 4.28Å; I361-Y368 HydrophobicContact CG2-CD2 3.87Å; I361-Y368 HydrophobicContact CG2-CE2 4.03Å; I361-D370 WeakPolarHBondContact CD1-OD1 3.34Å
362	T	96.6	Very high	96.1	Very high	24 Å²	24	56.1 Å²	56.1	15%	0.147	30%	0.301	C	S	.	.	H	α-helix	trans	-78.3	-47.3	178.9	-57.6	0	0	0	0	111.4	W358 A359 I360 T364 T365 S385 F386	W358-T362 HydrophobicContact CZ2-CG2 4.26Å; W358-T362 PolarHBondContact NE1-OG1 2.99Å; W358-T362 WeakPolarHBondContact O-CB 3.47Å; W358-T362 PolarHBondContact O-N 3.37Å; W358-T362 PolarHBondContact O-OG1 3.31Å; A359-T362 PolarHBondContact O-N 3.43Å; I360-T362 VanDerWaalsContact C-N 3.32Å; I360-T362 PolarHBondContact O-N 3.42Å; T362-T364 VanDerWaalsContact C-N 3.3Å; T362-T364 PolarHBondContact O-N 3.43Å; T362-T365 PolarHBondContact O-N 3.24Å; T362-T365 VanDerWaalsContact O-N 3.09Å; T362-S385 WeakPolarHBondContact CG2-OG 3.42Å; T362-F386 HydrophobicContact CG2-CB 4.05Å
363	M	95.9	Very high	96.1	Very high	0 Å²	0	54 Å²	54	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-66.5	-32.3	178.2	-70.8	-176.6	71.4	0	0	112.4	M326 G329 I330 F333 A359 T365 G389	M326-M363 HydrophobicContact CE-CB 3.9Å; M326-M363 HydrophobicContact CE-CE 4.31Å; M326-M363 HydrophobicContact SD-CE 3.91Å; G329-M363 VanDerWaalsContact C-SD 3.53Å; I330-M363 HydrophobicContact CG1-SD 3.95Å; I330-M363 PolarHBondContact N-SD 3.34Å; F333-M363 HydrophobicContact CD2-CE 4.35Å; F333-M363 HydrophobicContact CD2-CG 4.41Å; F333-M363 HydrophobicContact CD2-SD 3.83Å; F333-M363 HydrophobicContact CE2-CE 4.38Å; F333-M363 HydrophobicContact CE2-SD 4.43Å; A359-M363 VanDerWaalsContact O-CB 3.22Å; A359-M363 WeakPolarHBondContact O-CB 3.19Å; A359-M363 VanDerWaalsContact O-CG 3.25Å; A359-M363 WeakPolarHBondContact O-CG 3.38Å; A359-M363 PolarHBondContact O-N 3.38Å; M363-T365 VanDerWaalsContact C-N 3.26Å; M363-G389 CarbonylContact O-C 3.6Å; M363-G389 WeakPolarHBondContact O-CA 3.22Å
364	T	95.4	Very high	96	Very high	49 Å²	49	52 Å²	52	30%	0.301	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	4	174.3	58.5	0	0	0	0	113.5	M326 I360 T362 V366 I393	M326-T364 HydrophobicContact CE-CG2 3.86Å; I360-T364 WeakPolarHBondContact O-CB 3.49Å; I360-T364 VanDerWaalsContact O-CG2 3.3Å; I360-T364 WeakPolarHBondContact O-CG2 3.41Å; I360-T364 PolarHBondContact O-N 3.2Å; I360-T364 PolarHBondContact O-OG1 2.85Å; T362-T364 VanDerWaalsContact C-N 3.3Å; T362-T364 PolarHBondContact O-N 3.43Å; T364-V366 PolarHBondContact O-N 3.47Å; T364-I393 HydrophobicContact CG2-CD1 4.35Å
365	T	95.8	Very high	96.1	Very high	94 Å²	94	49.6 Å²	49.6	58%	0.577	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.1	18.1	179	70	0	0	0	0	115.5	I361 T362 M363 V390	I361-T365 PolarHBondContact O-N 3.25Å; T362-T365 PolarHBondContact O-N 3.24Å; T362-T365 VanDerWaalsContact O-N 3.09Å; M363-T365 VanDerWaalsContact C-N 3.26Å; T365-V390 HydrophobicContact CG2-CG2 3.56Å
366	V	96.8	Very high	96	Very high	74 Å²	74	55.3 Å²	55.3	45%	0.448	30%	0.299	S	S	.	.			trans	-73.7	-52.1	175.7	176.4	0	0	0	0	111	I361 T364 Y368	I361-V366 HydrophobicContact CB-CB 4.3Å; I361-V366 PolarHBondContact O-N 2.8Å; T364-V366 PolarHBondContact O-N 3.47Å; V366-Y368 HydrophobicContact CG1-CD1 4.19Å; V366-Y368 HydrophobicContact CG1-CD2 4.02Å; V366-Y368 HydrophobicContact CG1-CE1 3.83Å; V366-Y368 HydrophobicContact CG1-CE2 3.63Å; V366-Y368 HydrophobicContact CG1-CG 4.27Å
367	G	94.7	Very high	95.9	Very high	47 Å²	47	57.7 Å²	57.7	49%	0.485	31%	0.314	S	S	.	.			trans	54.3	59	171.1	0	0	0	0	0	116.4	I361 G369	I361-G367 PolarHBondContact O-N 3.22Å; G367-G369 PolarHBondContact O-N 2.69Å; G367-G369 VanDerWaalsContact O-N 3.1Å
368	Y	95.4	Very high	95.8	Very high	159 Å²	159	52.2 Å²	52.2	62%	0.624	29%	0.293	S	S	*	.			trans	-56.9	-25.5	177.8	-67.3	-61.7	0	0	0	114.7	W357 I361 V366 D370	W357-Y368 HydrophobicContact CH2-CD2 4.22Å; W357-Y368 AromaticContact CH2-CE2 3.78Å; W357-Y368 HydrophobicContact CH2-CE2 3.78Å; W357-Y368 AromaticContact CZ2-CD2 3.63Å; W357-Y368 HydrophobicContact CZ2-CD2 3.63Å; W357-Y368 AromaticContact CZ2-CE2 3.67Å; W357-Y368 HydrophobicContact CZ2-CE2 3.67Å; I361-Y368 HydrophobicContact CB-CD2 4.43Å; I361-Y368 HydrophobicContact CD1-CD2 4.28Å; I361-Y368 HydrophobicContact CG2-CD2 3.87Å; I361-Y368 HydrophobicContact CG2-CE2 4.03Å; V366-Y368 HydrophobicContact CG1-CD1 4.19Å; V366-Y368 HydrophobicContact CG1-CD2 4.02Å; V366-Y368 HydrophobicContact CG1-CE1 3.83Å; V366-Y368 HydrophobicContact CG1-CE2 3.63Å; V366-Y368 HydrophobicContact CG1-CG 4.27Å; Y368-D370 VanDerWaalsContact C-N 3.32Å
369	G	94	Very high	95.7	Very high	46 Å²	46	57.7 Å²	57.7	47%	0.474	32%	0.317	S	S	.	.	S	Bend	trans	79.8	10.9	179	0	0	0	0	0	114.6	G367 Y372	G367-G369 PolarHBondContact O-N 2.69Å; G367-G369 VanDerWaalsContact O-N 3.1Å; G369-Y372 WeakPolarHBondContact O-CD1 3.41Å
370	D	94.8	Very high	95.7	Very high	77 Å²	77	61.4 Å²	61.4	41%	0.412	34%	0.342	S	S	.	.	S	Bend	trans	-74.6	-31.2	175.9	62	-35.9	0	0	0	112.8	L348 W357 I361 Y368	L348-D370 VanDerWaalsContact CD1-O 3.26Å; L348-D370 WeakPolarHBondContact CD1-O 3.04Å; W357-D370 PolarHBondContact NE1-OD2 3.2Å; I361-D370 WeakPolarHBondContact CD1-OD1 3.34Å; Y368-D370 VanDerWaalsContact C-N 3.32Å
371	I	95	Very high	95.7	Very high	16 Å²	16	58.8 Å²	58.8	8%	0.082	33%	0.329	C	S	.	.	S	Bend	trans	-124.9	130.6	168.4	-56.3	-179.4	0	0	0	107.6	L348 F349 Q354 W358	L348-I371 HydrophobicContact CB-CG1 4.48Å; L348-I371 HydrophobicContact CB-CG2 4.09Å; F349-I371 HydrophobicContact CD1-CG2 4.19Å; F349-I371 HydrophobicContact CD2-CG2 4.31Å; F349-I371 HydrophobicContact CE1-CG2 3.77Å; F349-I371 HydrophobicContact CE2-CG2 3.9Å; F349-I371 HydrophobicContact CG-CG2 4.44Å; F349-I371 HydrophobicContact CZ-CG2 3.62Å; Q354-I371 HydrophobicContact CG-CD1 4.46Å; W358-I371 HydrophobicContact CB-CB 4.12Å; W358-I371 HydrophobicContact CB-CG2 3.86Å; W358-I371 HydrophobicContact CG-CG2 4.13Å
372	Y	95.3	Very high	95.7	Very high	119 Å²	119	59.5 Å²	59.5	47%	0.467	34%	0.335	S	S	.	.			trans	-153.5	148.3	177.5	60.2	-89	0	0	0	111.3	G369 K374	G369-Y372 WeakPolarHBondContact O-CD1 3.41Å; Y372-K374 HydrophobicContact CD2-CG 4.43Å; Y372-K374 HydrophobicContact CE2-CG 4.06Å
373	P	96.1	Very high	95.7	Very high	12 Å²	12	60.6 Å²	60.6	8%	0.078	35%	0.347	C	S	.	.			trans	-74.5	137.4	178.9	28.1	-32	0	0	0	112.1	E341 F349 G378 K379 A382	E341-P373 HydrophobicContact CG-CB 4.01Å; E341-P373 VanDerWaalsContact OE1-CB 3.28Å; E341-P373 WeakPolarHBondContact OE1-CB 3.08Å; F349-P373 HydrophobicContact CE2-CB 4.29Å; P373-G378 WeakPolarHBondContact CG-O 3.49Å; P373-K379 HydrophobicContact CG-CG 4.33Å; P373-A382 HydrophobicContact CG-CB 3.92Å
374	K	94.7	Very high	95.7	Very high	46 Å²	46	64.2 Å²	64.2	20%	0.2	37%	0.369	C	S	.	.			trans	-97.8	-33.3	177.8	-66.1	-175.4	173.3	178.1	0	111.6	E341 H344 E346 Y372 K379	E341-K374 VanDerWaalsContact CD-N 3.32Å; E341-K374 PolarHBondContact OE1-N 3.32Å; E341-K374 PolarHBondContact OE2-N 2.99Å; H344-K374 WeakPolarHBondContact CE1-CD 3.35Å; E346-K374 HydrophobicContact CB-CD 4.35Å; E346-K374 WeakPolarHBondContact O-CE 3.49Å; E346-K374 PolarHBondContact O-NZ 3.28Å; E346-K374 IonicContact OE2-NZ 2.87Å; E346-K374 PolarHBondContact OE2-NZ 2.98Å; Y372-K374 HydrophobicContact CD2-CG 4.43Å; Y372-K374 HydrophobicContact CE2-CG 4.06Å; K374-K379 WeakPolarHBondContact O-CE 3.42Å
375	T	96.4	Very high	95.8	Very high	22 Å²	22	61.9 Å²	61.9	14%	0.135	35%	0.354	C	S	.	.	S	Bend	trans	-73.5	155	179.6	75.9	0	0	0	0	112	E341 H344 L377 G378 K379	E341-T375 WeakPolarHBondContact OE1-CA 3.32Å; E341-T375 WeakPolarHBondContact OE1-CB 3.35Å; E341-T375 WeakPolarHBondContact OE1-CG2 3.3Å; E341-T375 PolarHBondContact OE1-N 2.98Å; E341-T375 PolarHBondContact OE1-OG1 2.82Å; E341-T375 PolarHBondContact OE2-N 3.05Å; H344-T375 HydrophobicContact CB-CG2 3.87Å; T375-L377 VanDerWaalsContact C-N 3.3Å; T375-L377 PolarHBondContact O-N 2.88Å; T375-G378 PolarHBondContact O-N 2.87Å; T375-G378 PolarHBondContact OG1-N 3.4Å; T375-K379 WeakPolarHBondContact O-CG 3.16Å; T375-K379 PolarHBondContact O-N 3.5Å
376	T	95.3	Very high	95.8	Very high	121 Å²	121	62.1 Å²	62.1	74%	0.742	35%	0.348	S	S	*	.	H	α-helix	trans	-61.5	-39	176.2	-49.8	0	0	0	0	112	K379 C380	T376-K379 PolarHBondContact O-N 3.19Å; T376-C380 PolarHBondContact O-N 2.95Å
377	L	95.9	Very high	95.7	Very high	113 Å²	113	63.2 Å²	63.2	59%	0.592	35%	0.35	S	S	*	.	H	α-helix	trans	-68.4	-43.2	177.7	-67	179.4	0	0	0	111.6	M340 T375 K379 C380 N381	M340-L377 HydrophobicContact CB-CB 4.23Å; M340-L377 HydrophobicContact CG-CB 4.19Å; M340-L377 HydrophobicContact SD-CB 3.99Å; T375-L377 VanDerWaalsContact C-N 3.3Å; T375-L377 PolarHBondContact O-N 2.88Å; L377-K379 VanDerWaalsContact C-N 3.31Å; L377-K379 PolarHBondContact O-N 3.37Å; L377-C380 WeakPolarHBondContact O-CB 3.32Å; L377-C380 PolarHBondContact O-N 3.34Å; L377-C380 VanDerWaalsContact O-N 3.15Å; L377-N381 PolarHBondContact O-N 3.4Å
378	G	95.8	Very high	95.8	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-61.7	-38.4	174.6	0	0	0	0	0	112.5	E341 P373 T375 N381 A382	E341-G378 WeakPolarHBondContact OE1-CA 3.44Å; P373-G378 WeakPolarHBondContact CG-O 3.49Å; T375-G378 PolarHBondContact O-N 2.87Å; T375-G378 PolarHBondContact OG1-N 3.4Å; G378-N381 WeakPolarHBondContact O-CB 3.42Å; G378-N381 PolarHBondContact O-N 3.16Å; G378-A382 PolarHBondContact O-N 3.18Å
379	K	96.1	Very high	95.7	Very high	122 Å²	122	55.8 Å²	55.8	53%	0.53	31%	0.314	S	S	.	.	H	α-helix	trans	-64.4	-38.6	173.1	-71.8	172.1	-176.4	173.5	0	112.5	P373 K374 T375 T376 L377 A382 A383	P373-K379 HydrophobicContact CG-CG 4.33Å; K374-K379 WeakPolarHBondContact O-CE 3.42Å; T375-K379 WeakPolarHBondContact O-CG 3.16Å; T375-K379 PolarHBondContact O-N 3.5Å; T376-K379 PolarHBondContact O-N 3.19Å; L377-K379 VanDerWaalsContact C-N 3.31Å; L377-K379 PolarHBondContact O-N 3.37Å; K379-A382 WeakPolarHBondContact O-CB 3.05Å; K379-A382 PolarHBondContact O-N 2.95Å; K379-A383 PolarHBondContact O-N 2.93Å
380	C	97	Very high	95.8	Very high	78 Å²	78	56.8 Å²	56.8	53%	0.527	31%	0.31	S	S	.	.	H	α-helix	trans	-64.4	-45.1	172.6	-174.6	0	0	0	0	111.3	T376 L377 A382 A383 V384	T376-C380 PolarHBondContact O-N 2.95Å; L377-C380 WeakPolarHBondContact O-CB 3.32Å; L377-C380 PolarHBondContact O-N 3.34Å; L377-C380 VanDerWaalsContact O-N 3.15Å; C380-A382 VanDerWaalsContact C-N 3.3Å; C380-A382 PolarHBondContact O-N 3.48Å; C380-A383 WeakPolarHBondContact O-CB 3.29Å; C380-A383 PolarHBondContact O-N 2.76Å; C380-A383 VanDerWaalsContact O-N 3.12Å; C380-V384 WeakPolarHBondContact O-CG2 3.37Å; C380-V384 PolarHBondContact O-N 3.31Å
381	N	97	Very high	95.6	Very high	10 Å²	10	57.2 Å²	57.2	5%	0.053	31%	0.312	C	S	.	.	H	α-helix	trans	-58.7	-41	173.9	-177.5	61.8	0	0	0	112	F333 L336 A337 M340 L377 G378 A383 V384 S385	F333-N381 WeakPolarHBondContact CD1-OD1 3.36Å; F333-N381 PolarHBondContact O-ND2 3.49Å; L336-N381 WeakPolarHBondContact CB-OD1 3.43Å; A337-N381 PolarHBondContact N-ND2 3.29Å; M340-N381 HydrophobicContact SD-CB 3.8Å; L377-N381 PolarHBondContact O-N 3.4Å; G378-N381 WeakPolarHBondContact O-CB 3.42Å; G378-N381 PolarHBondContact O-N 3.16Å; N381-A383 PolarHBondContact O-N 3.35Å; N381-V384 PolarHBondContact O-N 3.25Å; N381-S385 VanDerWaalsContact O-CB 3.27Å; N381-S385 WeakPolarHBondContact O-CB 3.39Å; N381-S385 PolarHBondContact O-N 3.38Å; N381-S385 PolarHBondContact O-OG 3.02Å
382	A	96.3	Very high	95.5	Very high	20 Å²	20	57 Å²	57	17%	0.165	31%	0.313	C	S	.	.	H	α-helix	trans	-59.2	-46.8	173.8	0	0	0	0	0	111.7	W358 P373 G378 K379 C380 V384 S385 F386	W358-A382 HydrophobicContact CH2-CB 4.38Å; W358-A382 HydrophobicContact CZ2-CB 3.75Å; P373-A382 HydrophobicContact CG-CB 3.92Å; G378-A382 PolarHBondContact O-N 3.18Å; K379-A382 WeakPolarHBondContact O-CB 3.05Å; K379-A382 PolarHBondContact O-N 2.95Å; C380-A382 VanDerWaalsContact C-N 3.3Å; C380-A382 PolarHBondContact O-N 3.48Å; A382-V384 VanDerWaalsContact C-N 3.32Å; A382-V384 PolarHBondContact O-N 2.93Å; A382-S385 WeakPolarHBondContact CA-OG 3.34Å; A382-S385 PolarHBondContact O-N 2.88Å; A382-S385 PolarHBondContact O-OG 3.48Å; A382-F386 PolarHBondContact O-N 3.28Å
383	A	96.3	Very high	95.3	Very high	47 Å²	47	54 Å²	54	39%	0.388	30%	0.304	S	S	.	.	H	α-helix	trans	-58.7	-43.2	178	0	0	0	0	0	112.1	K379 C380 N381 F386 L387	K379-A383 PolarHBondContact O-N 2.93Å; C380-A383 WeakPolarHBondContact O-CB 3.29Å; C380-A383 PolarHBondContact O-N 2.76Å; C380-A383 VanDerWaalsContact O-N 3.12Å; N381-A383 PolarHBondContact O-N 3.35Å; A383-F386 HydrophobicContact CB-CE1 4.34Å; A383-F386 WeakPolarHBondContact O-CD1 3.45Å; A383-F386 WeakPolarHBondContact O-CE1 3.38Å; A383-L387 PolarHBondContact O-N 2.95Å
384	V	96.8	Very high	95	Very high	76 Å²	76	55.9 Å²	55.9	46%	0.461	32%	0.321	S	S	.	.	H	α-helix	trans	-69.3	-40.8	176.5	177.9	0	0	0	0	111.4	F333 C380 N381 A382 L387 C388	F333-V384 HydrophobicContact CE1-CG1 3.92Å; F333-V384 HydrophobicContact CZ-CG1 4.21Å; C380-V384 WeakPolarHBondContact O-CG2 3.37Å; C380-V384 PolarHBondContact O-N 3.31Å; N381-V384 PolarHBondContact O-N 3.25Å; A382-V384 VanDerWaalsContact C-N 3.32Å; A382-V384 PolarHBondContact O-N 2.93Å; V384-L387 PolarHBondContact O-N 3.15Å; V384-C388 VanDerWaalsContact O-CB 3.29Å; V384-C388 WeakPolarHBondContact O-CB 3.21Å; V384-C388 PolarHBondContact O-N 3.26Å
385	S	96.3	Very high	94.6	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-65.5	-42.1	-176.2	71.1	0	0	0	0	113.4	T362 N381 A382 C388 G389	T362-S385 WeakPolarHBondContact CG2-OG 3.42Å; N381-S385 VanDerWaalsContact O-CB 3.27Å; N381-S385 WeakPolarHBondContact O-CB 3.39Å; N381-S385 PolarHBondContact O-N 3.38Å; N381-S385 PolarHBondContact O-OG 3.02Å; A382-S385 WeakPolarHBondContact CA-OG 3.34Å; A382-S385 PolarHBondContact O-N 2.88Å; A382-S385 PolarHBondContact O-OG 3.48Å; S385-C388 PolarHBondContact O-N 3.2Å; S385-G389 PolarHBondContact O-N 3.49Å
386	F	95.8	Very high	94.1	Very high	99 Å²	99	58.6 Å²	58.6	43%	0.434	34%	0.336	S	S	.	.	H	α-helix	trans	-68.7	-41.2	179	90.7	-95.8	0	0	0	110.3	T362 A382 A383 C388 G389 V390	T362-F386 HydrophobicContact CG2-CB 4.05Å; A382-F386 PolarHBondContact O-N 3.28Å; A383-F386 HydrophobicContact CB-CE1 4.34Å; A383-F386 WeakPolarHBondContact O-CD1 3.45Å; A383-F386 WeakPolarHBondContact O-CE1 3.38Å; F386-C388 PolarHBondContact O-N 2.9Å; F386-G389 PolarHBondContact O-N 2.91Å; F386-V390 WeakPolarHBondContact O-CG2 3.35Å; F386-V390 PolarHBondContact O-N 3.19Å
387	L	95.9	Very high	93.7	Very high	97 Å²	97	56.5 Å²	56.5	51%	0.508	32%	0.32	S	S	.	.	H	α-helix	trans	-62.3	-45	178.1	-178.3	63.3	0	0	0	110.8	A383 V384 V390 I391	A383-L387 PolarHBondContact O-N 2.95Å; V384-L387 PolarHBondContact O-N 3.15Å; L387-V390 PolarHBondContact O-N 3.34Å; L387-I391 HydrophobicContact CD1-CD1 4.44Å; L387-I391 HydrophobicContact CG-CD1 4.28Å; L387-I391 WeakPolarHBondContact O-CG1 3.31Å; L387-I391 PolarHBondContact O-N 3.44Å; L387-I391 VanDerWaalsContact O-N 3.16Å
388	C	95.1	Very high	93.2	Very high	50 Å²	50	57.6 Å²	57.6	34%	0.338	32%	0.322	S	S	.	.	H	α-helix	trans	-62.8	-41.4	175.1	-173.4	0	0	0	0	111.8	F333 V384 S385 F386 I391 A392	F333-C388 HydrophobicContact CE2-CB 3.71Å; F333-C388 HydrophobicContact CZ-CB 3.66Å; V384-C388 VanDerWaalsContact O-CB 3.29Å; V384-C388 WeakPolarHBondContact O-CB 3.21Å; V384-C388 PolarHBondContact O-N 3.26Å; S385-C388 PolarHBondContact O-N 3.2Å; F386-C388 PolarHBondContact O-N 2.9Å; C388-I391 PolarHBondContact O-N 3.45Å; C388-A392 VanDerWaalsContact O-CB 3.26Å; C388-A392 WeakPolarHBondContact O-CB 3.42Å; C388-A392 PolarHBondContact O-N 2.86Å
389	G	94.9	Very high	92.7	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-60.8	-45.4	176.2	0	0	0	0	0	113.4	M363 S385 F386 I391 A392 I393	M363-G389 CarbonylContact O-C 3.6Å; M363-G389 WeakPolarHBondContact O-CA 3.22Å; S385-G389 PolarHBondContact O-N 3.49Å; F386-G389 PolarHBondContact O-N 2.91Å; G389-I391 VanDerWaalsContact C-N 3.34Å; G389-I391 PolarHBondContact O-N 3.38Å; G389-A392 PolarHBondContact O-N 3.37Å; G389-I393 WeakPolarHBondContact O-CG1 3.25Å; G389-I393 PolarHBondContact O-N 2.85Å
390	V	94.3	Very high	92.2	Very high	67 Å²	67	55.6 Å²	55.6	41%	0.406	32%	0.319	S	S	.	.	H	α-helix	trans	-58.9	-45.9	175.4	171.8	0	0	0	0	111	T365 F386 L387 I393 A394	T365-V390 HydrophobicContact CG2-CG2 3.56Å; F386-V390 WeakPolarHBondContact O-CG2 3.35Å; F386-V390 PolarHBondContact O-N 3.19Å; L387-V390 PolarHBondContact O-N 3.34Å; V390-I393 PolarHBondContact O-N 2.97Å; V390-A394 WeakPolarHBondContact O-CB 3.44Å; V390-A394 PolarHBondContact O-N 2.89Å
391	I	92.5	Very high	91.6	Very high	86 Å²	86	56.1 Å²	56.1	44%	0.441	32%	0.316	S	S	.	.	H	α-helix	trans	-65.3	-44.3	178	-64.9	167.3	0	0	0	110.8	L387 C388 G389 I393 A394 L395	L387-I391 HydrophobicContact CD1-CD1 4.44Å; L387-I391 HydrophobicContact CG-CD1 4.28Å; L387-I391 WeakPolarHBondContact O-CG1 3.31Å; L387-I391 PolarHBondContact O-N 3.44Å; L387-I391 VanDerWaalsContact O-N 3.16Å; C388-I391 PolarHBondContact O-N 3.45Å; G389-I391 VanDerWaalsContact C-N 3.34Å; G389-I391 PolarHBondContact O-N 3.38Å; I391-I393 VanDerWaalsContact C-N 3.29Å; I391-I393 PolarHBondContact O-N 3.26Å; I391-A394 PolarHBondContact O-N 3.43Å; I391-L395 HydrophobicContact CG2-CD1 3.76Å; I391-L395 HydrophobicContact CG2-CG 4.15Å; I391-L395 WeakPolarHBondContact O-CG 3.17Å; I391-L395 PolarHBondContact O-N 2.97Å
392	A	91.1	Very high	91.1	Very high	13 Å²	13	60 Å²	60	11%	0.107	34%	0.337	C	S	.	.	H	α-helix	trans	-62.2	-34.4	-179.3	0	0	0	0	0	112.7	L322 M326 C388 G389 P396	L322-A392 VanDerWaalsContact CD1-O 3.31Å; L322-A392 WeakPolarHBondContact CD1-O 3.38Å; M326-A392 HydrophobicContact SD-CB 4.06Å; C388-A392 VanDerWaalsContact O-CB 3.26Å; C388-A392 WeakPolarHBondContact O-CB 3.42Å; C388-A392 PolarHBondContact O-N 2.86Å; G389-A392 PolarHBondContact O-N 3.37Å; A392-P396 WeakPolarHBondContact O-CD 3.28Å
393	I	91.7	Very high	90.5	Very high	54 Å²	54	62.6 Å²	62.6	28%	0.277	35%	0.348	S	S	.	.	H	α-helix	trans	-78.3	-41.6	174.1	-64.3	169.9	0	0	0	111	M326 T364 G389 V390 I391 L395 P396 I397	M326-I393 HydrophobicContact CE-CD1 4.25Å; M326-I393 HydrophobicContact CE-CG1 4.39Å; M326-I393 HydrophobicContact SD-CD1 4.32Å; M326-I393 HydrophobicContact SD-CG1 3.85Å; T364-I393 HydrophobicContact CG2-CD1 4.35Å; G389-I393 WeakPolarHBondContact O-CG1 3.25Å; G389-I393 PolarHBondContact O-N 2.85Å; V390-I393 PolarHBondContact O-N 2.97Å; I391-I393 VanDerWaalsContact C-N 3.29Å; I391-I393 PolarHBondContact O-N 3.26Å; I393-L395 PolarHBondContact O-N 3.39Å; I393-P396 WeakPolarHBondContact O-CD 3.48Å; I393-I397 WeakPolarHBondContact O-CB 3.19Å; I393-I397 WeakPolarHBondContact O-CG2 3.39Å; I393-I397 PolarHBondContact O-N 3.41Å
394	A	90.3	Very high	89.8	Confident	52 Å²	52	63.8 Å²	63.8	43%	0.43	34%	0.344	S	S	.	.	H	α-helix	trans	-67.7	-31.4	-175.5	0	0	0	0	0	114.1	V390 I391 I397	V390-A394 WeakPolarHBondContact O-CB 3.44Å; V390-A394 PolarHBondContact O-N 2.89Å; I391-A394 PolarHBondContact O-N 3.43Å; A394-I397 WeakPolarHBondContact O-CG2 3.45Å
395	L	86.3	Confident	89.2	Confident	119 Å²	119	63.3 Å²	63.3	62%	0.623	34%	0.341	S	S	*	.	H	α-helix	trans	-70.2	-50.4	-177.5	-68.6	171.2	0	0	0	113.1	I391 I393 P399	I391-L395 HydrophobicContact CG2-CD1 3.76Å; I391-L395 HydrophobicContact CG2-CG 4.15Å; I391-L395 WeakPolarHBondContact O-CG 3.17Å; I391-L395 PolarHBondContact O-N 2.97Å; I393-L395 PolarHBondContact O-N 3.39Å; L395-P399 WeakPolarHBondContact O-CD 3.36Å
396	P	84.8	Confident	88.7	Confident	6 Å²	6	67.3 Å²	67.3	4%	0.039	37%	0.366	C	S	.	.	H	α-helix	trans	-80.6	-24.6	-178.2	-16.8	34.8	0	0	0	113.4	L322 Y325 A392 I393 H398 P399 I400	L322-P396 HydrophobicContact CB-CB 3.91Å; L322-P396 HydrophobicContact CB-CG 4.02Å; L322-P396 HydrophobicContact CD1-CB 4.27Å; L322-P396 HydrophobicContact CD1-CG 3.85Å; Y325-P396 HydrophobicContact CD2-CG 4.38Å; A392-P396 WeakPolarHBondContact O-CD 3.28Å; I393-P396 WeakPolarHBondContact O-CD 3.48Å; P396-H398 VanDerWaalsContact C-N 3.29Å; P396-H398 PolarHBondContact O-N 3.25Å; P396-P399 WeakPolarHBondContact O-CD 3.48Å; P396-I400 HydrophobicContact CB-CD1 4.47Å; P396-I400 WeakPolarHBondContact O-CD1 3.42Å; P396-I400 WeakPolarHBondContact O-CG1 3.39Å; P396-I400 PolarHBondContact O-N 3.08Å; P396-I400 VanDerWaalsContact O-N 3.16Å
397	I	87.9	Confident	87.9	Confident	78 Å²	78	64 Å²	64	40%	0.4	35%	0.351	S	S	.	.	H	α-helix	trans	-63.3	-35.7	-177.5	-161.4	171.6	0	0	0	112	I393 A394 I400 I401	I393-I397 WeakPolarHBondContact O-CB 3.19Å; I393-I397 WeakPolarHBondContact O-CG2 3.39Å; I393-I397 PolarHBondContact O-N 3.41Å; A394-I397 WeakPolarHBondContact O-CG2 3.45Å; I397-I400 PolarHBondContact O-N 3.36Å; I397-I401 HydrophobicContact CG1-CD1 3.99Å; I397-I401 HydrophobicContact CG1-CG1 4.41Å; I397-I401 VanDerWaalsContact O-CG1 3.26Å; I397-I401 WeakPolarHBondContact O-CG1 3.5Å; I397-I401 PolarHBondContact O-N 3.45Å
398	H	86.2	Confident	87.2	Confident	135 Å²	135	64.7 Å²	64.7	63%	0.625	35%	0.348	S	S	*	.	H	α-helix	trans	-67.5	-49.7	-178.6	-177	77.5	0	0	0	113	P396 I400 I401 N402	P396-H398 VanDerWaalsContact C-N 3.29Å; P396-H398 PolarHBondContact O-N 3.25Å; H398-I400 VanDerWaalsContact C-N 3.3Å; H398-I400 PolarHBondContact O-N 2.83Å; H398-I401 PolarHBondContact O-N 3.39Å; H398-N402 PolarHBondContact O-N 2.96Å
399	P	83.6	Confident	86.7	Confident	49 Å²	49	66.1 Å²	66.1	32%	0.318	35%	0.352	S	S	.	.	H	α-helix	trans	-55.2	-40.9	169.1	-27.2	33.8	0	0	0	113.8	L395 P396 I401 N402 N403	L395-P399 WeakPolarHBondContact O-CD 3.36Å; P396-P399 WeakPolarHBondContact O-CD 3.48Å; P399-I401 PolarHBondContact O-N 2.93Å; P399-N402 PolarHBondContact O-N 2.83Å; P399-N403 WeakPolarHBondContact O-CB 3.34Å; P399-N403 VanDerWaalsContact O-CG 3.31Å; P399-N403 PolarHBondContact O-N 3.25Å; P399-N403 PolarHBondContact O-ND2 3.04Å
400	I	85.4	Confident	86.1	Confident	31 Å²	31	68.8 Å²	68.8	16%	0.159	36%	0.364	C	S	.	.	H	α-helix	trans	-61	-45.6	177.1	-68.2	165.5	0	0	0	110.7	E318 P396 I397 H398 N403 F404	E318-I400 HydrophobicContact CB-CD1 4.16Å; E318-I400 HydrophobicContact CB-CG1 3.62Å; P396-I400 HydrophobicContact CB-CD1 4.47Å; P396-I400 WeakPolarHBondContact O-CD1 3.42Å; P396-I400 WeakPolarHBondContact O-CG1 3.39Å; P396-I400 PolarHBondContact O-N 3.08Å; P396-I400 VanDerWaalsContact O-N 3.16Å; I397-I400 PolarHBondContact O-N 3.36Å; H398-I400 VanDerWaalsContact C-N 3.3Å; H398-I400 PolarHBondContact O-N 2.83Å; I400-N403 PolarHBondContact O-N 3.49Å; I400-F404 WeakPolarHBondContact O-CB 3.32Å; I400-F404 PolarHBondContact O-N 3.47Å
401	I	86.4	Confident	85.5	Confident	90 Å²	90	67.2 Å²	67.2	46%	0.462	35%	0.352	S	S	.	.	H	α-helix	trans	-63.2	-45.3	177.5	-70	165.6	0	0	0	110.6	I397 H398 P399 N403 F404 V405	I397-I401 HydrophobicContact CG1-CD1 3.99Å; I397-I401 HydrophobicContact CG1-CG1 4.41Å; I397-I401 VanDerWaalsContact O-CG1 3.26Å; I397-I401 WeakPolarHBondContact O-CG1 3.5Å; I397-I401 PolarHBondContact O-N 3.45Å; H398-I401 PolarHBondContact O-N 3.39Å; P399-I401 PolarHBondContact O-N 2.93Å; I401-N403 PolarHBondContact O-N 2.96Å; I401-F404 WeakPolarHBondContact O-CB 3.34Å; I401-F404 PolarHBondContact O-N 3.46Å; I401-V405 HydrophobicContact CG2-CG2 4.44Å; I401-V405 WeakPolarHBondContact O-CG2 3.46Å; I401-V405 PolarHBondContact O-N 2.8Å
402	N	86.2	Confident	85	Confident	91 Å²	91	69.2 Å²	69.2	49%	0.487	36%	0.357	S	S	.	.	H	α-helix	trans	-62.2	-45.4	179.6	-169.2	36.5	0	0	0	111.5	H398 P399 F404 V405 V406	H398-N402 PolarHBondContact O-N 2.96Å; P399-N402 PolarHBondContact O-N 2.83Å; N402-F404 VanDerWaalsContact C-N 3.31Å; N402-F404 PolarHBondContact O-N 3Å; N402-V405 PolarHBondContact O-N 2.88Å; N402-V406 WeakPolarHBondContact O-CG2 3.46Å; N402-V406 PolarHBondContact O-N 2.91Å
403	N	82.3	Confident	84.8	Confident	74 Å²	74	73.3 Å²	73.3	40%	0.396	38%	0.381	S	S	.	.	H	α-helix	trans	-60.6	-40.7	175	-75.6	-19.6	0	0	0	112	P399 I400 I401 F407	P399-N403 WeakPolarHBondContact O-CB 3.34Å; P399-N403 VanDerWaalsContact O-CG 3.31Å; P399-N403 PolarHBondContact O-N 3.25Å; P399-N403 PolarHBondContact O-ND2 3.04Å; I400-N403 PolarHBondContact O-N 3.49Å; I401-N403 PolarHBondContact O-N 2.96Å; N403-F407 WeakPolarHBondContact O-CB 3.33Å; N403-F407 PolarHBondContact O-N 2.95Å
404	F	82	Confident	84.5	Confident	72 Å²	72	70.9 Å²	70.9	32%	0.316	37%	0.369	S	S	.	.	H	α-helix	trans	-60.2	-47.2	174.6	178.7	-87.9	0	0	0	111.5	L308 A311 I400 I401 N402 F407 Y408	L308-F404 HydrophobicContact CD1-CE2 4.27Å; A311-F404 HydrophobicContact CB-CD2 3.33Å; A311-F404 HydrophobicContact CB-CE2 3.73Å; A311-F404 HydrophobicContact CB-CG 4.38Å; I400-F404 WeakPolarHBondContact O-CB 3.32Å; I400-F404 PolarHBondContact O-N 3.47Å; I401-F404 WeakPolarHBondContact O-CB 3.34Å; I401-F404 PolarHBondContact O-N 3.46Å; N402-F404 VanDerWaalsContact C-N 3.31Å; N402-F404 PolarHBondContact O-N 3Å; F404-F407 PolarHBondContact O-N 3.05Å; F404-Y408 WeakPolarHBondContact O-CB 3.46Å; F404-Y408 PolarHBondContact O-N 2.89Å
405	V	85.3	Confident	84.1	Confident	66 Å²	66	72.8 Å²	72.8	40%	0.4	37%	0.369	S	S	.	.	H	α-helix	trans	-64.6	-47.3	-179.1	171.4	0	0	0	0	111.4	I401 N402 F407 Y408 N409	I401-V405 HydrophobicContact CG2-CG2 4.44Å; I401-V405 WeakPolarHBondContact O-CG2 3.46Å; I401-V405 PolarHBondContact O-N 2.8Å; N402-V405 PolarHBondContact O-N 2.88Å; V405-F407 VanDerWaalsContact C-N 3.33Å; V405-F407 PolarHBondContact O-N 2.74Å; V405-Y408 PolarHBondContact O-N 3.35Å; V405-N409 WeakPolarHBondContact O-CB 3.27Å; V405-N409 PolarHBondContact O-N 2.99Å; V405-N409 PolarHBondContact O-ND2 3.5Å
406	V	83.9	Confident	84.1	Confident	85 Å²	85	71.3 Å²	71.3	52%	0.515	37%	0.365	S	S	.	.	H	α-helix	trans	-59.2	-47.3	177.1	171.8	0	0	0	0	110.2	N402 N409 K410	N402-V406 WeakPolarHBondContact O-CG2 3.46Å; N402-V406 PolarHBondContact O-N 2.91Å; V406-N409 PolarHBondContact O-N 2.87Å; V406-K410 VanDerWaalsContact O-CB 3.31Å; V406-K410 WeakPolarHBondContact O-CB 3.28Å; V406-K410 PolarHBondContact O-N 2.95Å
407	F	79.3	Confident	84.3	Confident	28 Å²	28	72.7 Å²	72.7	12%	0.123	38%	0.376	C	S	.	.	H	α-helix	trans	-66.8	-43.2	-179.2	-173.4	-92.3	0	0	0	112.5	Y310 A311 N403 F404 V405 N409 K410 Q411	Y310-F407 AromaticContact CD1-CD1 3.81Å; Y310-F407 HydrophobicContact CD1-CD1 3.81Å; Y310-F407 AromaticContact CD1-CE1 3.06Å; Y310-F407 HydrophobicContact CD1-CE1 3.06Å; Y310-F407 AromaticContact CD1-CE2 3.89Å; Y310-F407 HydrophobicContact CD1-CE2 3.89Å; Y310-F407 AromaticContact CD1-CZ 3.16Å; Y310-F407 HydrophobicContact CD1-CZ 3.16Å; Y310-F407 HydrophobicContact CE1-CD1 4.15Å; Y310-F407 HydrophobicContact CE1-CD2 4.06Å; Y310-F407 AromaticContact CE1-CE1 3.35Å; Y310-F407 HydrophobicContact CE1-CE1 3.35Å; Y310-F407 AromaticContact CE1-CE2 3.22Å; Y310-F407 HydrophobicContact CE1-CE2 3.22Å; Y310-F407 HydrophobicContact CE1-CG 4.49Å; Y310-F407 AromaticContact CE1-CZ 2.83Å; Y310-F407 HydrophobicContact CE1-CZ 2.83Å; Y310-F407 HydrophobicContact CE2-CZ 4.37Å; Y310-F407 AromaticContact CG-CE1 3.92Å; Y310-F407 HydrophobicContact CG-CE1 3.92Å; Y310-F407 HydrophobicContact CG-CZ 4.11Å; Y310-F407 AromaticContact CZ-CE2 3.92Å; Y310-F407 AromaticContact CZ-CZ 3.48Å; Y310-F407 VanDerWaalsContact CZ-CZ 3.48Å; A311-F407 HydrophobicContact CB-CD1 4.5Å; N403-F407 WeakPolarHBondContact O-CB 3.33Å; N403-F407 PolarHBondContact O-N 2.95Å; F404-F407 PolarHBondContact O-N 3.05Å; V405-F407 VanDerWaalsContact C-N 3.33Å; V405-F407 PolarHBondContact O-N 2.74Å; F407-N409 VanDerWaalsContact C-N 3.33Å; F407-N409 PolarHBondContact O-N 3.4Å; F407-K410 PolarHBondContact O-N 3.32Å; F407-Q411 HydrophobicContact CE1-CB 4.02Å; F407-Q411 HydrophobicContact CZ-CB 4.22Å; F407-Q411 WeakPolarHBondContact O-CB 3.38Å; F407-Q411 PolarHBondContact O-N 2.97Å
408	Y	81.6	Confident	84.2	Confident	112 Å²	112	69 Å²	69	44%	0.439	36%	0.358	S	S	.	.	H	α-helix	trans	-57.8	-46.8	176.9	178.4	-103.6	0	0	0	111.5	T307 F404 V405 K412	T307-Y408 HydrophobicContact CG2-CD2 3.6Å; T307-Y408 HydrophobicContact CG2-CE2 4.18Å; F404-Y408 WeakPolarHBondContact O-CB 3.46Å; F404-Y408 PolarHBondContact O-N 2.89Å; V405-Y408 PolarHBondContact O-N 3.35Å; Y408-K412 WeakPolarHBondContact O-CB 3.31Å; Y408-K412 PolarHBondContact O-N 3.21Å; Y408-K412 VanDerWaalsContact O-N 3.08Å
409	N	85.1	Confident	84.2	Confident	81 Å²	81	68.8 Å²	68.8	43%	0.433	36%	0.355	S	S	.	.	H	α-helix	trans	-66.6	-43.1	177.3	-71.3	-26.4	0	0	0	111.7	V405 V406 F407 Q411 K412 V413	V405-N409 WeakPolarHBondContact O-CB 3.27Å; V405-N409 PolarHBondContact O-N 2.99Å; V405-N409 PolarHBondContact O-ND2 3.5Å; V406-N409 PolarHBondContact O-N 2.87Å; F407-N409 VanDerWaalsContact C-N 3.33Å; F407-N409 PolarHBondContact O-N 3.4Å; N409-Q411 PolarHBondContact O-N 3.23Å; N409-K412 PolarHBondContact O-N 2.95Å; N409-V413 WeakPolarHBondContact O-CG2 3.25Å; N409-V413 PolarHBondContact O-N 3.23Å
410	K	82.7	Confident	84.5	Confident	55 Å²	55	71.4 Å²	71.4	24%	0.239	36%	0.363	C	S	.	.	H	α-helix	trans	-58.5	-48.3	176.2	-173.3	168.6	-175.2	159	0	111.1	E127 E131 V406 F407 K412 V413 L414	E127-K410 IonicContact OE1-NZ 3.1Å; E127-K410 PolarHBondContact OE1-NZ 3.04Å; E131-K410 VanDerWaalsContact CG-CE 3.43Å; E131-K410 WeakPolarHBondContact OE1-CE 3.29Å; E131-K410 IonicContact OE1-NZ 3.08Å; E131-K410 PolarHBondContact OE1-NZ 2.84Å; V406-K410 VanDerWaalsContact O-CB 3.31Å; V406-K410 WeakPolarHBondContact O-CB 3.28Å; V406-K410 PolarHBondContact O-N 2.95Å; F407-K410 PolarHBondContact O-N 3.32Å; K410-K412 VanDerWaalsContact C-N 3.33Å; K410-K412 PolarHBondContact O-N 2.86Å; K410-V413 PolarHBondContact O-N 2.75Å; K410-L414 HydrophobicContact CG-CD1 4.07Å; K410-L414 VanDerWaalsContact O-CG 3.25Å; K410-L414 WeakPolarHBondContact O-CG 3.39Å; K410-L414 PolarHBondContact O-N 2.92Å
411	Q	80.8	Confident	84.6	Confident	35 Å²	35	73.2 Å²	73.2	16%	0.164	37%	0.371	C	S	.	.	H	α-helix	trans	-58.9	-43.8	177.5	-179.6	63.6	21	0	0	111.9	K138 F407 N409 L414 E415	K138-Q411 VanDerWaalsContact NZ-NE2 3.13Å; K138-Q411 VanDerWaalsContact NZ-OE1 3.14Å; F407-Q411 HydrophobicContact CE1-CB 4.02Å; F407-Q411 HydrophobicContact CZ-CB 4.22Å; F407-Q411 WeakPolarHBondContact O-CB 3.38Å; F407-Q411 PolarHBondContact O-N 2.97Å; N409-Q411 PolarHBondContact O-N 3.23Å; Q411-L414 PolarHBondContact O-N 3.11Å; Q411-E415 PolarHBondContact NE2-OE1 3.47Å; Q411-E415 WeakPolarHBondContact O-CG 3.37Å; Q411-E415 PolarHBondContact O-N 2.84Å
412	K	83	Confident	84.5	Confident	127 Å²	127	69.5 Å²	69.5	55%	0.552	35%	0.352	S	S	*	.	H	α-helix	trans	-62.3	-44.2	177.3	-172.9	179.2	179.2	-176.7	0	112	Y408 N409 K410 E415 T416	Y408-K412 WeakPolarHBondContact O-CB 3.31Å; Y408-K412 PolarHBondContact O-N 3.21Å; Y408-K412 VanDerWaalsContact O-N 3.08Å; N409-K412 PolarHBondContact O-N 2.95Å; K410-K412 VanDerWaalsContact C-N 3.33Å; K410-K412 PolarHBondContact O-N 2.86Å; K412-E415 PolarHBondContact O-N 3.28Å; K412-T416 PolarHBondContact O-N 2.85Å; K412-T416 PolarHBondContact O-OG1 2.88Å
413	V	87.1	Confident	84.6	Confident	99 Å²	99	70.5 Å²	70.5	60%	0.6	35%	0.354	S	S	*	.	H	α-helix	trans	-62.2	-45.4	176.6	171.2	0	0	0	0	110.9	N409 K410 E415 T416 A417	N409-V413 WeakPolarHBondContact O-CG2 3.25Å; N409-V413 PolarHBondContact O-N 3.23Å; K410-V413 PolarHBondContact O-N 2.75Å; V413-E415 VanDerWaalsContact C-N 3.33Å; V413-E415 PolarHBondContact O-N 3.05Å; V413-T416 PolarHBondContact O-N 2.65Å; V413-A417 WeakPolarHBondContact O-CB 3.48Å; V413-A417 PolarHBondContact O-N 3.13Å
414	L	84.3	Confident	84.8	Confident	4 Å²	4	70.4 Å²	70.4	2%	0.021	35%	0.353	C	S	.	.	H	α-helix	trans	-62	-39.6	178.6	-67.7	168.3	0	0	0	112.2	E131 E134 I135 K138 K410 Q411 A418	E131-L414 HydrophobicContact CB-CD2 4.33Å; E134-L414 HydrophobicContact CG-CD1 4.5Å; E134-L414 WeakPolarHBondContact OE2-CD1 3.06Å; I135-L414 HydrophobicContact CD1-CD2 3.91Å; I135-L414 HydrophobicContact CG1-CD2 3.49Å; I135-L414 VanDerWaalsContact CG1-CD2 3.49Å; K138-L414 HydrophobicContact CD-CB 4.49Å; K410-L414 HydrophobicContact CG-CD1 4.07Å; K410-L414 VanDerWaalsContact O-CG 3.25Å; K410-L414 WeakPolarHBondContact O-CG 3.39Å; K410-L414 PolarHBondContact O-N 2.92Å; Q411-L414 PolarHBondContact O-N 3.11Å; L414-A418 WeakPolarHBondContact O-CB 3.25Å; L414-A418 PolarHBondContact O-N 3.4Å
415	E	81.7	Confident	85	Confident	92 Å²	92	70.6 Å²	70.6	43%	0.43	36%	0.356	S	S	.	.	H	α-helix	trans	-65.6	-42	174.9	-77.8	177.8	-164.9	0	0	112.5	Q411 K412 V413 K419	Q411-E415 PolarHBondContact NE2-OE1 3.47Å; Q411-E415 WeakPolarHBondContact O-CG 3.37Å; Q411-E415 PolarHBondContact O-N 2.84Å; K412-E415 PolarHBondContact O-N 3.28Å; V413-E415 VanDerWaalsContact C-N 3.33Å; V413-E415 PolarHBondContact O-N 3.05Å; E415-K419 WeakPolarHBondContact O-CG 3.48Å; E415-K419 PolarHBondContact O-N 2.82Å
416	T	86.8	Confident	84.9	Confident	88 Å²	88	72.7 Å²	72.7	54%	0.54	36%	0.361	S	S	.	.	H	α-helix	trans	-66.2	-42.7	175.6	-60.9	0	0	0	0	111.7	K412 V413 K419 H420	K412-T416 PolarHBondContact O-N 2.85Å; K412-T416 PolarHBondContact O-OG1 2.88Å; V413-T416 PolarHBondContact O-N 2.65Å; T416-K419 PolarHBondContact O-N 2.87Å; T416-H420 WeakPolarHBondContact O-CB 3.31Å; T416-H420 PolarHBondContact O-N 3.41Å
417	A	88	Confident	85	Confident	34 Å²	34	74.8 Å²	74.8	28%	0.281	37%	0.369	S	S	.	.	H	α-helix	trans	-62.1	-45.2	178.7	0	0	0	0	0	111.8	I135 V413 K419 H420 E421	I135-A417 HydrophobicContact CD1-CB 3.97Å; I135-A417 HydrophobicContact CG1-CB 4.33Å; V413-A417 WeakPolarHBondContact O-CB 3.48Å; V413-A417 PolarHBondContact O-N 3.13Å; A417-K419 PolarHBondContact O-N 3.4Å; A417-H420 PolarHBondContact O-N 3.42Å; A417-E421 WeakPolarHBondContact O-CB 3.46Å; A417-E421 PolarHBondContact O-N 3.19Å
418	A	86.8	Confident	85.3	Confident	2 Å²	2	80.5 Å²	80.5	2%	0.017	39%	0.393	C	S	.	.	H	α-helix	trans	-62.2	-41.2	177.3	0	0	0	0	0	112.4	I135 K138 V139 I142 L414 E421 V422	I135-A418 HydrophobicContact CG2-CB 4.4Å; K138-A418 HydrophobicContact CB-CB 3.81Å; V139-A418 HydrophobicContact CG2-CB 3.82Å; I142-A418 HydrophobicContact CD1-CB 4.28Å; L414-A418 WeakPolarHBondContact O-CB 3.25Å; L414-A418 PolarHBondContact O-N 3.4Å; A418-E421 PolarHBondContact O-N 3.47Å; A418-V422 WeakPolarHBondContact O-CG2 3.02Å; A418-V422 PolarHBondContact O-N 3.46Å
419	K	85.9	Confident	85.2	Confident	129 Å²	129	78.5 Å²	78.5	56%	0.561	40%	0.396	S	S	*	.	H	α-helix	trans	-62.9	-47.1	175.3	-72.9	177.2	-177.3	-178.8	0	111.8	E415 T416 A417 E421 V422 E423	E415-K419 WeakPolarHBondContact O-CG 3.48Å; E415-K419 PolarHBondContact O-N 2.82Å; T416-K419 PolarHBondContact O-N 2.87Å; A417-K419 PolarHBondContact O-N 3.4Å; K419-E421 VanDerWaalsContact C-N 3.3Å; K419-E421 PolarHBondContact O-N 3.35Å; K419-V422 PolarHBondContact O-N 3.3Å; K419-E423 WeakPolarHBondContact O-CG 3.49Å; K419-E423 PolarHBondContact O-N 3.29Å
420	H	89.4	Confident	84.6	Confident	104 Å²	104	76.7 Å²	76.7	48%	0.481	40%	0.396	S	S	.	.	H	α-helix	trans	-62.2	-37.9	178.9	-177.2	-98.5	0	0	0	112.2	T416 A417 E423 L424	T416-H420 WeakPolarHBondContact O-CB 3.31Å; T416-H420 PolarHBondContact O-N 3.41Å; A417-H420 PolarHBondContact O-N 3.42Å; H420-E423 PolarHBondContact O-N 3.29Å; H420-L424 VanDerWaalsContact CE1-CD1 3.45Å; H420-L424 WeakPolarHBondContact CE1-CD1 3.36Å; H420-L424 WeakPolarHBondContact O-CB 3.38Å; H420-L424 WeakPolarHBondContact O-CG 3.05Å; H420-L424 PolarHBondContact O-N 2.99Å
421	E	87.6	Confident	84	Confident	70 Å²	70	75.9 Å²	75.9	33%	0.327	40%	0.403	S	S	.	.	H	α-helix	trans	-63.9	-41.5	175.9	-175.6	168.9	-179.4	0	0	112.2	I135 V139 A417 A418 K419 L424 M425	I135-E421 VanDerWaalsContact CG2-OE2 3.28Å; I135-E421 WeakPolarHBondContact CG2-OE2 3.35Å; V139-E421 HydrophobicContact CG1-CG 4.46Å; V139-E421 HydrophobicContact CG2-CB 3.96Å; V139-E421 HydrophobicContact CG2-CG 4.1Å; A417-E421 WeakPolarHBondContact O-CB 3.46Å; A417-E421 PolarHBondContact O-N 3.19Å; A418-E421 PolarHBondContact O-N 3.47Å; K419-E421 VanDerWaalsContact C-N 3.3Å; K419-E421 PolarHBondContact O-N 3.35Å; E421-L424 PolarHBondContact O-N 2.77Å; E421-M425 HydrophobicContact CG-CE 3.81Å; E421-M425 WeakPolarHBondContact O-CG 3.33Å; E421-M425 PolarHBondContact O-N 3.01Å
422	V	85.8	Confident	83	Confident	12 Å²	12	80.6 Å²	80.6	7%	0.073	43%	0.426	C	S	.	.	H	α-helix	trans	-63.5	-45.8	174.1	174.4	0	0	0	0	111.3	V139 I142 L146 A418 K419 L424 M425 E426	V139-V422 HydrophobicContact CG1-CG2 4Å; V139-V422 HydrophobicContact CG2-CG2 4.42Å; I142-V422 HydrophobicContact CB-CG2 4.19Å; I142-V422 HydrophobicContact CD1-CG2 4.35Å; I142-V422 HydrophobicContact CG2-CG1 4.25Å; I142-V422 HydrophobicContact CG2-CG2 3.87Å; L146-V422 HydrophobicContact CD1-CG1 4.11Å; A418-V422 WeakPolarHBondContact O-CG2 3.02Å; A418-V422 PolarHBondContact O-N 3.46Å; K419-V422 PolarHBondContact O-N 3.3Å; V422-L424 VanDerWaalsContact C-N 3.32Å; V422-L424 PolarHBondContact O-N 3.46Å; V422-M425 WeakPolarHBondContact O-CB 3.35Å; V422-M425 PolarHBondContact O-N 3.11Å; V422-M425 VanDerWaalsContact O-N 3.09Å; V422-E426 PolarHBondContact O-N 3.48Å
423	E	87.1	Confident	81.9	Confident	111 Å²	111	77.7 Å²	77.7	52%	0.519	43%	0.425	S	S	.	.	H	α-helix	trans	-58.7	-42.4	176.2	-72.1	172.4	-169.9	0	0	111.9	K419 H420 M425 E426 L427	K419-E423 WeakPolarHBondContact O-CG 3.49Å; K419-E423 PolarHBondContact O-N 3.29Å; H420-E423 PolarHBondContact O-N 3.29Å; E423-M425 VanDerWaalsContact C-N 3.32Å; E423-M425 PolarHBondContact O-N 2.89Å; E423-E426 PolarHBondContact O-N 2.89Å; E423-L427 WeakPolarHBondContact O-CG 3.22Å; E423-L427 PolarHBondContact O-N 2.87Å
424	L	87.6	Confident	80.6	Confident	72 Å²	72	82.7 Å²	82.7	38%	0.377	43%	0.433	S	S	.	.	H	α-helix	trans	-62.7	-37.5	174.9	-75.6	177.1	0	0	0	112.5	H420 E421 V422 K428	H420-L424 VanDerWaalsContact CE1-CD1 3.45Å; H420-L424 WeakPolarHBondContact CE1-CD1 3.36Å; H420-L424 WeakPolarHBondContact O-CB 3.38Å; H420-L424 WeakPolarHBondContact O-CG 3.05Å; H420-L424 PolarHBondContact O-N 2.99Å; E421-L424 PolarHBondContact O-N 2.77Å; V422-L424 VanDerWaalsContact C-N 3.32Å; V422-L424 PolarHBondContact O-N 3.46Å; L424-K428 WeakPolarHBondContact O-CB 3.27Å; L424-K428 VanDerWaalsContact O-CG 3.31Å; L424-K428 WeakPolarHBondContact O-CG 3.37Å; L424-K428 PolarHBondContact O-N 3.01Å
425	M	84.6	Confident	79.4	Confident	76 Å²	76	90.1 Å²	90.1	37%	0.374	47%	0.465	S	S	.	.	H	α-helix	trans	-66.5	-39.7	175.1	-70.1	177.5	-176.8	0	0	111.7	V139 L143 E421 V422 E423 K428 S429	V139-M425 HydrophobicContact CG1-CE 4.13Å; V139-M425 HydrophobicContact CG1-SD 4.35Å; L143-M425 HydrophobicContact CD1-SD 3.87Å; L143-M425 HydrophobicContact CD2-SD 4.47Å; E421-M425 HydrophobicContact CG-CE 3.81Å; E421-M425 WeakPolarHBondContact O-CG 3.33Å; E421-M425 PolarHBondContact O-N 3.01Å; V422-M425 WeakPolarHBondContact O-CB 3.35Å; V422-M425 PolarHBondContact O-N 3.11Å; V422-M425 VanDerWaalsContact O-N 3.09Å; E423-M425 VanDerWaalsContact C-N 3.32Å; E423-M425 PolarHBondContact O-N 2.89Å; M425-K428 PolarHBondContact O-N 3.32Å; M425-S429 PolarHBondContact O-N 3.26Å; M425-S429 PolarHBondContact O-OG 3.15Å; M425-S429 VanDerWaalsContact O-OG 3.13Å
426	E	83.8	Confident	78.2	Confident	111 Å²	111	93.6 Å²	93.6	52%	0.519	48%	0.479	S	S	.	.	H	α-helix	trans	-63.6	-44.1	174.9	-70.8	-177.3	174.2	0	0	111.8	V422 E423 K428 S429 G430	V422-E426 PolarHBondContact O-N 3.48Å; E423-E426 PolarHBondContact O-N 2.89Å; E426-K428 PolarHBondContact O-N 2.96Å; E426-S429 PolarHBondContact O-N 3.44Å; E426-S429 PolarHBondContact O-OG 3.48Å; E426-G430 PolarHBondContact O-N 3.4Å
427	L	86.6	Confident	76.6	Confident	129 Å²	129	92.4 Å²	92.4	68%	0.675	48%	0.484	S	S	*	.	H	α-helix	trans	-64	-41.8	176.5	-69.7	172.3	0	0	0	112.4	E423 G431	E423-L427 WeakPolarHBondContact O-CG 3.22Å; E423-L427 PolarHBondContact O-N 2.87Å; L427-G431 PolarHBondContact O-N 3.26Å
428	K	85.2	Confident	74.8	Confident	147 Å²	147	99 Å²	99	64%	0.639	51%	0.509	S	S	*	.	H	α-helix	trans	-64.2	-42.7	177.4	-76.7	175.8	-179.1	178.3	0	111.8	L424 M425 E426 G431 Q432	L424-K428 WeakPolarHBondContact O-CB 3.27Å; L424-K428 VanDerWaalsContact O-CG 3.31Å; L424-K428 WeakPolarHBondContact O-CG 3.37Å; L424-K428 PolarHBondContact O-N 3.01Å; M425-K428 PolarHBondContact O-N 3.32Å; E426-K428 PolarHBondContact O-N 2.96Å; K428-G431 PolarHBondContact O-N 3.39Å; K428-Q432 WeakPolarHBondContact O-CG 3.47Å; K428-Q432 PolarHBondContact O-N 2.96Å; K428-Q432 VanDerWaalsContact O-N 3.11Å
429	S	79.7	Confident	72.8	Confident	71 Å²	71	109.6 Å²	109.6	50%	0.497	56%	0.558	S	S	.	*	H	α-helix	trans	-68.3	-41.9	177.8	61.5	0	0	0	0	112.2	M425 E426 G431 Q432 A433	M425-S429 PolarHBondContact O-N 3.26Å; M425-S429 PolarHBondContact O-OG 3.15Å; M425-S429 VanDerWaalsContact O-OG 3.13Å; E426-S429 PolarHBondContact O-N 3.44Å; E426-S429 PolarHBondContact O-OG 3.48Å; S429-G431 PolarHBondContact O-N 3.31Å; S429-Q432 PolarHBondContact O-N 3.11Å; S429-A433 PolarHBondContact O-N 3.23Å
430	G	71.9	Confident	72.2	Confident	42 Å²	42	108.6 Å²	108.6	43%	0.433	56%	0.558	S	S	.	*	H	α-helix	trans	-62.5	-38.8	173.7	0	0	0	0	0	113.3	E426 A433 R434	E426-G430 PolarHBondContact O-N 3.4Å; G430-A433 PolarHBondContact O-N 3.25Å; G430-R434 PolarHBondContact O-N 2.91Å; G430-R434 VanDerWaalsContact O-N 3.13Å
431	G	69.5	Low	71.3	Confident	38 Å²	38	108.8 Å²	108.8	39%	0.392	56%	0.562	S	S	.	*	H	α-helix	trans	-65.6	-38.3	175.2	0	0	0	0	0	113.5	L427 K428 S429 R434 K435	L427-G431 PolarHBondContact O-N 3.26Å; K428-G431 PolarHBondContact O-N 3.39Å; S429-G431 PolarHBondContact O-N 3.31Å; G431-R434 PolarHBondContact O-N 3.26Å; G431-K435 PolarHBondContact O-N 2.93Å
432	Q	60.8	Low	70.4	Confident	135 Å²	135	111 Å²	111	63%	0.631	58%	0.575	S	S	*	*	H	α-helix	trans	-69.6	-38.5	175.3	-75.5	179.9	-7.6	0	0	112.6	K428 S429 R434 K435 K436	K428-Q432 WeakPolarHBondContact O-CG 3.47Å; K428-Q432 PolarHBondContact O-N 2.96Å; K428-Q432 VanDerWaalsContact O-N 3.11Å; S429-Q432 PolarHBondContact O-N 3.11Å; Q432-R434 VanDerWaalsContact C-N 3.31Å; Q432-R434 PolarHBondContact O-N 2.8Å; Q432-K435 PolarHBondContact O-N 3.08Å; Q432-K436 PolarHBondContact O-N 2.74Å; Q432-K436 VanDerWaalsContact O-N 3.14Å
433	A	60.6	Low	69.5	Low	65 Å²	65	116.8 Å²	116.8	54%	0.537	61%	0.605	S	S	.	*	H	α-helix	trans	-63.7	-37.1	175.1	0	0	0	0	0	112.2	S429 G430 G437	S429-A433 PolarHBondContact O-N 3.23Å; G430-A433 PolarHBondContact O-N 3.25Å; A433-G437 PolarHBondContact O-N 3.13Å
434	R	58.2	Low	68.4	Low	204 Å²	204	117.2 Å²	117.2	77%	0.77	61%	0.61	S	S	*	*	H	α-helix	trans	-71	-36.2	178.7	-141.2	172.9	-172.3	171.7	1.1	112.9	G430 G431 Q432	G430-R434 PolarHBondContact O-N 2.91Å; G430-R434 VanDerWaalsContact O-N 3.13Å; G431-R434 PolarHBondContact O-N 3.26Å; Q432-R434 VanDerWaalsContact C-N 3.31Å; Q432-R434 PolarHBondContact O-N 2.8Å
435	K	58.8	Low	67.1	Low	160 Å²	160	120.2 Å²	120.2	70%	0.696	63%	0.626	S	S	*	*	H	α-helix	trans	-66.9	-40.4	173.6	-78.3	-174.2	176.1	-174	0	112.5	G431 Q432 G437 Q438	G431-K435 PolarHBondContact O-N 2.93Å; Q432-K435 PolarHBondContact O-N 3.08Å; K435-G437 VanDerWaalsContact C-N 3.28Å; K435-G437 PolarHBondContact O-N 2.85Å; K435-Q438 PolarHBondContact O-N 3.28Å
436	K	57.5	Low	65.8	Low	166 Å²	166	123.4 Å²	123.4	72%	0.722	64%	0.644	S	S	*	*	H	α-helix	trans	-70.7	-16.3	177.5	-76.7	-174	176	-176.7	0	115.1	Q432	Q432-K436 PolarHBondContact O-N 2.74Å; Q432-K436 VanDerWaalsContact O-N 3.14Å
437	G	53.9	Low	64.4	Low	63 Å²	63	124.3 Å²	124.3	65%	0.649	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.9	-0.5	176.2	0	0	0	0	0	114.4	A433 K435	A433-G437 PolarHBondContact O-N 3.13Å; K435-G437 VanDerWaalsContact C-N 3.28Å; K435-G437 PolarHBondContact O-N 2.85Å
438	Q	50.3	Low	62.6	Low	171 Å²	171	123.9 Å²	123.9	80%	0.799	65%	0.651	S	S	*	*			trans	-111	-5.8	177.6	-74.7	-174.5	-39.4	0	0	113.3	K435	K435-Q438 PolarHBondContact O-N 3.28Å
439	E	44.6	Very low	60.5	Low	225 Å²	225	121.8 Å²	121.8	100%	1.051	65%	0.652	S	S	*	*			trans	-95.6	0	162.8	-68.7	177.1	165.3	0	0	108.8

Retrieved 439 of 439 residues in 251.4 ms (Link to these results)

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