A0A077ZB13_TRITR Loading...

3' exoribonuclease

AlphaFold DB , UniProt , Accession A0A077ZB13, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 407 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	34.4	Very low	42.4	Very low	245 Å²	245	144.6 Å²	144.6	100%	1.207	69%	0.688	S	S	*	*				0	101.3	0	-157.1	175.5	171.8	0	0	107.3	K3	M1-K3 PolarHBondContact O-N 3.46Å
2	I	37.9	Very low	42.4	Very low	158 Å²	158	140.3 Å²	140.3	81%	0.81	67%	0.671	S	S	*	*			trans	-78.5	120.6	-175.1	-62.8	171.4	0	0	0	108	I4	I2-I4 HydrophobicContact CG2-CG1 4.32Å; I2-I4 PolarHBondContact O-N 2.99Å
3	K	27.9	Very low	42.5	Very low	210 Å²	210	132.7 Å²	132.7	91%	0.913	64%	0.642	S	S	*	*			trans	-74.2	112	169.8	-91.7	-177.6	174.7	178	0	108.2	M1	M1-K3 PolarHBondContact O-N 3.46Å
4	I	45.1	Very low	42.5	Very low	93 Å²	93	127.1 Å²	127.1	48%	0.477	63%	0.628	S	S	.	*			trans	-93.1	129.7	171.7	-56.7	175.8	0	0	0	106.7	I2 T8	I2-I4 HydrophobicContact CG2-CG1 4.32Å; I2-I4 PolarHBondContact O-N 2.99Å; I4-T8 HydrophobicContact CG2-CG2 3.68Å
5	D	63.3	Low	42.3	Very low	84 Å²	84	123.7 Å²	123.7	45%	0.449	61%	0.613	S	S	.	*			trans	-71.9	161.7	175.6	75.3	80	0	0	0	111.1	Q7 T8 Y9	D5-Q7 VanDerWaalsContact C-N 3.3Å; D5-Q7 PolarHBondContact O-N 3.2Å; D5-Q7 WeakPolarHBondContact OD1-CA 3.28Å; D5-Q7 WeakPolarHBondContact OD1-CB 3.47Å; D5-Q7 PolarHBondContact OD1-N 3.44Å; D5-T8 PolarHBondContact O-N 3.37Å; D5-T8 PolarHBondContact OD1-N 2.99Å; D5-T8 WeakPolarHBondContact OD2-CB 3.27Å; D5-T8 PolarHBondContact OD2-OG1 3.44Å; D5-Y9 PolarHBondContact O-N 2.79Å
6	R	46.2	Very low	42.2	Very low	220 Å²	220	120.3 Å²	120.3	83%	0.83	61%	0.605	S	S	*	*	H	α-helix	trans	-63.2	-32.8	-173	-166.4	176.8	-179.2	-177.7	0.1	113.2	V10	R6-V10 VanDerWaalsContact O-CG2 3.23Å; R6-V10 WeakPolarHBondContact O-CG2 3.4Å; R6-V10 PolarHBondContact O-N 3.1Å
7	Q	43.1	Very low	42	Very low	163 Å²	163	118.2 Å²	118.2	76%	0.762	60%	0.604	S	S	*	*	H	α-helix	trans	-73.5	-42.6	179.3	-70.4	-179	-21.3	0	0	110.8	D5 Y9 V10 L11	D5-Q7 VanDerWaalsContact C-N 3.3Å; D5-Q7 PolarHBondContact O-N 3.2Å; D5-Q7 WeakPolarHBondContact OD1-CA 3.28Å; D5-Q7 WeakPolarHBondContact OD1-CB 3.47Å; D5-Q7 PolarHBondContact OD1-N 3.44Å; Q7-Y9 VanDerWaalsContact C-N 3.31Å; Q7-Y9 PolarHBondContact O-N 3.47Å; Q7-V10 PolarHBondContact O-N 2.81Å; Q7-L11 PolarHBondContact O-N 3.25Å
8	T	40.8	Very low	41.9	Very low	64 Å²	64	114.7 Å²	114.7	39%	0.393	59%	0.591	S	S	.	*	H	α-helix	trans	-62.7	-39.7	174.3	-57.6	0	0	0	0	111.3	I4 D5 L11 L12	I4-T8 HydrophobicContact CG2-CG2 3.68Å; D5-T8 PolarHBondContact O-N 3.37Å; D5-T8 PolarHBondContact OD1-N 2.99Å; D5-T8 WeakPolarHBondContact OD2-CB 3.27Å; D5-T8 PolarHBondContact OD2-OG1 3.44Å; T8-L11 PolarHBondContact O-N 2.95Å; T8-L12 HydrophobicContact CG2-CD1 4.01Å; T8-L12 HydrophobicContact CG2-CG 4.49Å; T8-L12 WeakPolarHBondContact O-CB 3.36Å; T8-L12 WeakPolarHBondContact O-CG 3.41Å; T8-L12 PolarHBondContact O-N 3.34Å
9	Y	42.7	Very low	41.8	Very low	148 Å²	148	113.9 Å²	113.9	58%	0.58	59%	0.594	S	S	*	*	H	α-helix	trans	-61.8	-46.7	173.9	-175.6	-97.5	0	0	0	111.8	D5 Q7 L11 L12 S13	D5-Y9 PolarHBondContact O-N 2.79Å; Q7-Y9 VanDerWaalsContact C-N 3.31Å; Q7-Y9 PolarHBondContact O-N 3.47Å; Y9-L11 VanDerWaalsContact C-N 3.34Å; Y9-L11 PolarHBondContact O-N 3.08Å; Y9-L12 PolarHBondContact O-N 3.02Å; Y9-S13 WeakPolarHBondContact O-CB 3.42Å; Y9-S13 PolarHBondContact O-N 3.49Å; Y9-S13 PolarHBondContact O-OG 3.09Å
10	V	44	Very low	41.8	Very low	87 Å²	87	116.4 Å²	116.4	53%	0.527	60%	0.603	S	S	.	*	H	α-helix	trans	-61.1	-41.7	177.3	169.4	0	0	0	0	111.5	R6 Q7 S13 A14	R6-V10 VanDerWaalsContact O-CG2 3.23Å; R6-V10 WeakPolarHBondContact O-CG2 3.4Å; R6-V10 PolarHBondContact O-N 3.1Å; Q7-V10 PolarHBondContact O-N 2.81Å; V10-S13 PolarHBondContact O-N 2.9Å; V10-A14 WeakPolarHBondContact O-CB 3.37Å; V10-A14 PolarHBondContact O-N 3.15Å
11	L	41.5	Very low	41.5	Very low	119 Å²	119	114.8 Å²	114.8	62%	0.623	59%	0.592	S	S	*	*	H	α-helix	trans	-65.3	-43.5	178.2	-151.4	94.1	0	0	0	111.4	Q7 T8 Y9 A14 L15	Q7-L11 PolarHBondContact O-N 3.25Å; T8-L11 PolarHBondContact O-N 2.95Å; Y9-L11 VanDerWaalsContact C-N 3.34Å; Y9-L11 PolarHBondContact O-N 3.08Å; L11-A14 PolarHBondContact O-N 3.43Å; L11-L15 WeakPolarHBondContact O-CB 3.37Å; L11-L15 WeakPolarHBondContact O-CG 3.36Å; L11-L15 PolarHBondContact O-N 3.15Å
12	L	41.6	Very low	41.7	Very low	92 Å²	92	107.1 Å²	107.1	48%	0.482	56%	0.556	S	S	.	*	H	α-helix	trans	-66.1	-37.8	175.8	-73	169.8	0	0	0	112	T8 Y9 L15 S16	T8-L12 HydrophobicContact CG2-CD1 4.01Å; T8-L12 HydrophobicContact CG2-CG 4.49Å; T8-L12 WeakPolarHBondContact O-CB 3.36Å; T8-L12 WeakPolarHBondContact O-CG 3.41Å; T8-L12 PolarHBondContact O-N 3.34Å; Y9-L12 PolarHBondContact O-N 3.02Å; L12-L15 PolarHBondContact O-N 3.38Å; L12-S16 PolarHBondContact O-N 3.18Å; L12-S16 PolarHBondContact O-OG 2.85Å
13	S	43.7	Very low	41.8	Very low	42 Å²	42	102.1 Å²	102.1	29%	0.294	54%	0.538	S	S	.	.	H	α-helix	trans	-67	-37.4	174.2	-59.7	0	0	0	0	112.5	Y9 V10 L15 S16 S17	Y9-S13 WeakPolarHBondContact O-CB 3.42Å; Y9-S13 PolarHBondContact O-N 3.49Å; Y9-S13 PolarHBondContact O-OG 3.09Å; V10-S13 PolarHBondContact O-N 2.9Å; S13-L15 VanDerWaalsContact C-N 3.34Å; S13-S16 WeakPolarHBondContact CA-OG 3.35Å; S13-S16 PolarHBondContact O-N 3.45Å; S13-S16 PolarHBondContact O-OG 3.11Å; S13-S17 PolarHBondContact O-N 3.46Å; S13-S17 VanDerWaalsContact O-N 3.17Å; S13-S17 PolarHBondContact O-OG 3.32Å
14	A	42.9	Very low	42	Very low	54 Å²	54	99.1 Å²	99.1	45%	0.446	53%	0.526	S	S	.	.	H	α-helix	trans	-66.1	-38.8	173.8	0	0	0	0	0	111.2	V10 L11 S17 C18	V10-A14 WeakPolarHBondContact O-CB 3.37Å; V10-A14 PolarHBondContact O-N 3.15Å; L11-A14 PolarHBondContact O-N 3.43Å; A14-S17 WeakPolarHBondContact CA-OG 3.49Å; A14-S17 PolarHBondContact O-N 2.69Å; A14-S17 PolarHBondContact O-OG 2.88Å; A14-C18 PolarHBondContact O-N 2.91Å
15	L	38.9	Very low	41.5	Very low	77 Å²	77	98.8 Å²	98.8	40%	0.403	52%	0.524	S	S	.	.	H	α-helix	trans	-70.4	-36.5	175.9	-73.8	168.1	0	0	0	112.6	L11 L12 S13 S17 C18 H21	L11-L15 WeakPolarHBondContact O-CB 3.37Å; L11-L15 WeakPolarHBondContact O-CG 3.36Å; L11-L15 PolarHBondContact O-N 3.15Å; L12-L15 PolarHBondContact O-N 3.38Å; S13-L15 VanDerWaalsContact C-N 3.34Å; L15-S17 VanDerWaalsContact C-N 3.27Å; L15-S17 PolarHBondContact O-N 3.28Å; L15-C18 WeakPolarHBondContact O-CB 3.3Å; L15-C18 PolarHBondContact O-N 3.15Å; L15-H21 WeakPolarHBondContact O-CB 3.39Å
16	S	41.4	Very low	40.3	Very low	69 Å²	69	97.7 Å²	97.7	48%	0.483	52%	0.523	S	S	.	.	H	α-helix	trans	-72.2	-19.9	176.5	68.1	0	0	0	0	113.8	L12 S13 N22	L12-S16 PolarHBondContact O-N 3.18Å; L12-S16 PolarHBondContact O-OG 2.85Å; S13-S16 WeakPolarHBondContact CA-OG 3.35Å; S13-S16 PolarHBondContact O-N 3.45Å; S13-S16 PolarHBondContact O-OG 3.11Å; S16-N22 PolarHBondContact O-ND2 3.3Å
17	S	39.1	Very low	39.9	Very low	85 Å²	85	91.7 Å²	91.7	59%	0.594	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	-6.9	174.6	47.8	0	0	0	0	113.1	S13 A14 L15 P19	S13-S17 PolarHBondContact O-N 3.46Å; S13-S17 VanDerWaalsContact O-N 3.17Å; S13-S17 PolarHBondContact O-OG 3.32Å; A14-S17 WeakPolarHBondContact CA-OG 3.49Å; A14-S17 PolarHBondContact O-N 2.69Å; A14-S17 PolarHBondContact O-OG 2.88Å; L15-S17 VanDerWaalsContact C-N 3.27Å; L15-S17 PolarHBondContact O-N 3.28Å; S17-P19 WeakPolarHBondContact O-CD 3.27Å
18	C	38.9	Very low	39.4	Very low	54 Å²	54	86.2 Å²	86.2	37%	0.365	49%	0.493	S	S	.	.			trans	-72.6	118.3	174.7	-115.7	0	0	0	0	110.2	A14 L15 E20 H21 N22	A14-C18 PolarHBondContact O-N 2.91Å; L15-C18 WeakPolarHBondContact O-CB 3.3Å; L15-C18 PolarHBondContact O-N 3.15Å; C18-E20 PolarHBondContact O-N 3.38Å; C18-H21 HydrophobicContact CB-CB 4.3Å; C18-H21 PolarHBondContact O-N 2.9Å; C18-N22 PolarHBondContact O-N 3.06Å
19	P	40.8	Very low	39.1	Very low	101 Å²	101	93.4 Å²	93.4	66%	0.656	51%	0.513	S	S	*	.	H	α-helix	trans	-56.4	-36.3	-177.5	-24.4	33.2	0	0	0	112.9	S17 H21 N22 A23	S17-P19 WeakPolarHBondContact O-CD 3.27Å; P19-H21 VanDerWaalsContact C-N 3.31Å; P19-H21 PolarHBondContact O-N 3.47Å; P19-N22 PolarHBondContact O-N 3.46Å; P19-A23 WeakPolarHBondContact O-CB 3.16Å; P19-A23 PolarHBondContact O-N 3.29Å
20	E	41.9	Very low	39.1	Very low	163 Å²	163	94.4 Å²	94.4	76%	0.762	52%	0.523	S	S	*	.	H	α-helix	trans	-62.4	-36.5	178.6	-64.2	170.2	178	0	0	112.1	C18 F24	C18-E20 PolarHBondContact O-N 3.38Å; E20-F24 WeakPolarHBondContact O-CB 3.4Å; E20-F24 PolarHBondContact O-N 2.96Å
21	H	36.2	Very low	38.6	Very low	83 Å²	83	92.5 Å²	92.5	38%	0.384	51%	0.513	S	S	.	.	H	α-helix	trans	-73.1	-36.9	178.6	-159.9	-13.3	0	0	0	111.9	L15 C18 P19 F24 L25	L15-H21 WeakPolarHBondContact O-CB 3.39Å; C18-H21 HydrophobicContact CB-CB 4.3Å; C18-H21 PolarHBondContact O-N 2.9Å; P19-H21 VanDerWaalsContact C-N 3.31Å; P19-H21 PolarHBondContact O-N 3.47Å; H21-F24 PolarHBondContact O-N 3.41Å; H21-L25 PolarHBondContact O-N 3.42Å
22	N	36.8	Very low	38.2	Very low	84 Å²	84	90.8 Å²	90.8	45%	0.449	52%	0.524	S	S	.	.	H	α-helix	trans	-70.5	-38.2	175.4	-76	-35.4	0	0	0	112	S16 C18 P19 F24 L25 S26	S16-N22 PolarHBondContact O-ND2 3.3Å; C18-N22 PolarHBondContact O-N 3.06Å; P19-N22 PolarHBondContact O-N 3.46Å; N22-F24 VanDerWaalsContact C-N 3.32Å; N22-F24 PolarHBondContact O-N 3.26Å; N22-L25 PolarHBondContact O-N 2.86Å; N22-S26 PolarHBondContact O-N 2.99Å
23	A	40.3	Very low	37.7	Very low	52 Å²	52	89.3 Å²	89.3	43%	0.43	52%	0.522	S	S	.	.	H	α-helix	trans	-61.4	-42	172.7	0	0	0	0	0	111.2	P19 S26 V27	P19-A23 WeakPolarHBondContact O-CB 3.16Å; P19-A23 PolarHBondContact O-N 3.29Å; A23-S26 PolarHBondContact O-N 3.3Å; A23-S26 PolarHBondContact O-OG 3.07Å; A23-S26 VanDerWaalsContact O-OG 3.05Å; A23-V27 VanDerWaalsContact O-CG2 3.28Å; A23-V27 WeakPolarHBondContact O-CG2 3.28Å; A23-V27 PolarHBondContact O-N 2.95Å; A23-V27 VanDerWaalsContact O-N 3.07Å
24	F	32.4	Very low	37.4	Very low	148 Å²	148	93.2 Å²	93.2	65%	0.649	54%	0.544	S	S	*	.	H	α-helix	trans	-67.6	-40	178.5	-156	-91.4	0	0	0	112.6	E20 H21 N22 V27 A28	E20-F24 WeakPolarHBondContact O-CB 3.4Å; E20-F24 PolarHBondContact O-N 2.96Å; H21-F24 PolarHBondContact O-N 3.41Å; N22-F24 VanDerWaalsContact C-N 3.32Å; N22-F24 PolarHBondContact O-N 3.26Å; F24-V27 PolarHBondContact O-N 3Å; F24-A28 PolarHBondContact O-N 3.48Å
25	L	34.4	Very low	37	Very low	85 Å²	85	97.3 Å²	97.3	45%	0.445	56%	0.558	S	S	.	*	H	α-helix	trans	-69	-32.1	175.3	-76.6	170.8	0	0	0	113	H21 N22 R29	H21-L25 PolarHBondContact O-N 3.42Å; N22-L25 PolarHBondContact O-N 2.86Å; L25-R29 PolarHBondContact O-N 3.02Å
26	S	39.4	Very low	36.8	Very low	61 Å²	61	98.7 Å²	98.7	43%	0.427	57%	0.566	S	S	.	*	H	α-helix	trans	-69.6	-39.7	174.9	81.3	0	0	0	0	111.3	N22 A23 R29 H30	N22-S26 PolarHBondContact O-N 2.99Å; A23-S26 PolarHBondContact O-N 3.3Å; A23-S26 PolarHBondContact O-OG 3.07Å; A23-S26 VanDerWaalsContact O-OG 3.05Å; S26-R29 PolarHBondContact O-N 3.17Å; S26-H30 PolarHBondContact O-N 2.96Å; S26-H30 VanDerWaalsContact O-N 3.11Å
27	V	36.4	Very low	36.4	Very low	95 Å²	95	98.3 Å²	98.3	58%	0.576	56%	0.563	S	S	*	*	H	α-helix	trans	-61	-48.6	174.3	172.7	0	0	0	0	110.2	A23 F24 R29 H30 S31	A23-V27 VanDerWaalsContact O-CG2 3.28Å; A23-V27 WeakPolarHBondContact O-CG2 3.28Å; A23-V27 PolarHBondContact O-N 2.95Å; A23-V27 VanDerWaalsContact O-N 3.07Å; F24-V27 PolarHBondContact O-N 3Å; V27-R29 VanDerWaalsContact C-N 3.3Å; V27-R29 PolarHBondContact O-N 3.14Å; V27-H30 PolarHBondContact O-N 3.35Å; V27-H30 VanDerWaalsContact O-N 3.1Å; V27-S31 PolarHBondContact O-N 3.04Å; V27-S31 PolarHBondContact O-OG 3.25Å; V27-S31 VanDerWaalsContact O-OG 3.12Å
28	A	32.7	Very low	36.2	Very low	47 Å²	47	99 Å²	99	39%	0.388	56%	0.564	S	S	.	*	H	α-helix	trans	-64	-29.9	179	0	0	0	0	0	113.9	F24 S31	F24-A28 PolarHBondContact O-N 3.48Å; A28-S31 PolarHBondContact O-OG 2.95Å
29	R	35.5	Very low	35.9	Very low	215 Å²	215	98.7 Å²	98.7	81%	0.811	57%	0.569	S	S	*	*	H	α-helix	trans	-77.5	-24.2	174.2	-80	-175.4	-176.3	170.5	3.4	113.6	L25 S26 V27	L25-R29 PolarHBondContact O-N 3.02Å; S26-R29 PolarHBondContact O-N 3.17Å; V27-R29 VanDerWaalsContact C-N 3.3Å; V27-R29 PolarHBondContact O-N 3.14Å
30	H	43	Very low	35.6	Very low	169 Å²	169	97.3 Å²	97.3	78%	0.782	56%	0.561	S	S	*	*	H	α-helix	trans	-90.9	-26.5	-178.6	-78.6	20.1	0	0	0	112.8	S26 V27 G32	S26-H30 PolarHBondContact O-N 2.96Å; S26-H30 VanDerWaalsContact O-N 3.11Å; V27-H30 PolarHBondContact O-N 3.35Å; V27-H30 VanDerWaalsContact O-N 3.1Å; H30-G32 VanDerWaalsContact C-N 3.33Å; H30-G32 PolarHBondContact O-N 3.37Å
31	S	33.8	Very low	35.1	Very low	47 Å²	47	95 Å²	95	33%	0.329	55%	0.554	S	S	.	*			trans	-79.5	82.9	168.5	56.1	0	0	0	0	109.3	V27 A28 S33	V27-S31 PolarHBondContact O-N 3.04Å; V27-S31 PolarHBondContact O-OG 3.25Å; V27-S31 VanDerWaalsContact O-OG 3.12Å; A28-S31 PolarHBondContact O-OG 2.95Å; S31-S33 PolarHBondContact O-N 3.49Å
32	G	31.4	Very low	35.1	Very low	83 Å²	83	94.1 Å²	94.1	86%	0.856	56%	0.557	S	S	*	*			trans	-65.1	38.7	172.4	0	0	0	0	0	114.4	H30	H30-G32 VanDerWaalsContact C-N 3.33Å; H30-G32 PolarHBondContact O-N 3.37Å
33	S	32.2	Very low	35	Very low	62 Å²	62	97 Å²	97	43%	0.434	57%	0.565	S	S	.	*			trans	-109.4	109.5	-179.4	172.4	0	0	0	0	108.1	S31 D35 D36	S31-S33 PolarHBondContact O-N 3.49Å; S33-D35 PolarHBondContact O-N 3.15Å; S33-D35 VanDerWaalsContact O-N 3.1Å; S33-D36 PolarHBondContact O-N 3.27Å
34	V	36.2	Very low	34.8	Very low	124 Å²	124	98.4 Å²	98.4	75%	0.752	57%	0.569	S	S	*	*	G	3₁₀ helix	trans	-67.8	-5.2	-177.9	174.9	0	0	0	0	112.5	S37	V34-S37 PolarHBondContact O-OG 2.83Å
35	D	35.1	Very low	34.9	Very low	139 Å²	139	96.4 Å²	96.4	74%	0.743	56%	0.564	S	S	*	*	G	3₁₀ helix	trans	-82	-13.9	179.6	-73.9	-27.7	0	0	0	114.9	S33 S37	S33-D35 PolarHBondContact O-N 3.15Å; S33-D35 VanDerWaalsContact O-N 3.1Å; D35-S37 PolarHBondContact O-N 3.3Å
36	D	34.6	Very low	35	Very low	106 Å²	106	97.9 Å²	97.9	57%	0.567	57%	0.572	S	S	*	*	G	3₁₀ helix	trans	-82.2	2.7	174	-79.2	-29.3	0	0	0	113.8	S33 V38 G39 C40	S33-D36 PolarHBondContact O-N 3.27Å; D36-V38 PolarHBondContact O-N 3.34Å; D36-G39 PolarHBondContact O-N 3.35Å; D36-G39 VanDerWaalsContact O-N 3.09Å; D36-C40 PolarHBondContact O-N 3.48Å
37	S	34	Very low	34.9	Very low	62 Å²	62	99.6 Å²	99.6	43%	0.434	58%	0.576	S	S	.	*	H	α-helix	trans	-62.1	-22.9	174.8	56.8	0	0	0	0	113.3	V34 D35 L41	V34-S37 PolarHBondContact O-OG 2.83Å; D35-S37 PolarHBondContact O-N 3.3Å; S37-L41 PolarHBondContact O-N 2.86Å; S37-L41 VanDerWaalsContact O-N 3.13Å
38	V	35	Very low	34.6	Very low	100 Å²	100	99.2 Å²	99.2	61%	0.606	57%	0.571	S	S	*	*	H	α-helix	trans	-71.9	-33	174.8	-175.8	0	0	0	0	112.1	D36 S42	D36-V38 PolarHBondContact O-N 3.34Å; V38-S42 WeakPolarHBondContact O-CB 3.45Å; V38-S42 PolarHBondContact O-N 3.47Å; V38-S42 VanDerWaalsContact O-N 3.07Å; V38-S42 PolarHBondContact O-OG 3.14Å
39	G	32.8	Very low	34.8	Very low	46 Å²	46	101.4 Å²	101.4	47%	0.474	58%	0.575	S	S	.	*	H	α-helix	trans	-69.1	-43.6	175.8	0	0	0	0	0	112.2	D36 S42 F43	D36-G39 PolarHBondContact O-N 3.35Å; D36-G39 VanDerWaalsContact O-N 3.09Å; G39-S42 PolarHBondContact O-N 3.34Å; G39-F43 PolarHBondContact O-N 2.78Å
40	C	32.7	Very low	34.8	Very low	73 Å²	73	92.7 Å²	92.7	49%	0.493	55%	0.552	S	S	.	*	H	α-helix	trans	-62.6	-41.9	175.1	-90.6	0	0	0	0	112.4	D36 S42 F43 V44	D36-C40 PolarHBondContact O-N 3.48Å; C40-S42 VanDerWaalsContact C-N 3.34Å; C40-S42 PolarHBondContact O-N 2.89Å; C40-F43 PolarHBondContact O-N 2.81Å; C40-V44 WeakPolarHBondContact O-CB 3.28Å; C40-V44 VanDerWaalsContact O-CG2 3.3Å; C40-V44 WeakPolarHBondContact O-CG2 3.34Å; C40-V44 PolarHBondContact O-N 3.13Å
41	L	31.5	Very low	34.3	Very low	114 Å²	114	88.2 Å²	88.2	60%	0.597	53%	0.533	S	S	*	.	H	α-helix	trans	-64.6	-38.6	175.6	-85.9	160.3	0	0	0	111.9	S37 L45	S37-L41 PolarHBondContact O-N 2.86Å; S37-L41 VanDerWaalsContact O-N 3.13Å; L41-L45 WeakPolarHBondContact O-CB 3.36Å; L41-L45 PolarHBondContact O-N 2.89Å
42	S	36.5	Very low	34.1	Very low	64 Å²	64	91.5 Å²	91.5	45%	0.448	55%	0.546	S	S	.	.	H	α-helix	trans	-66.7	-39.8	179.1	-61.3	0	0	0	0	112.6	V38 G39 C40 L45 L46	V38-S42 WeakPolarHBondContact O-CB 3.45Å; V38-S42 PolarHBondContact O-N 3.47Å; V38-S42 VanDerWaalsContact O-N 3.07Å; V38-S42 PolarHBondContact O-OG 3.14Å; G39-S42 PolarHBondContact O-N 3.34Å; C40-S42 VanDerWaalsContact C-N 3.34Å; C40-S42 PolarHBondContact O-N 2.89Å; S42-L45 PolarHBondContact O-N 3.34Å; S42-L46 WeakPolarHBondContact O-CG 3.31Å; S42-L46 PolarHBondContact O-N 3.46Å
43	F	34.8	Very low	34.2	Very low	144 Å²	144	90.8 Å²	90.8	63%	0.632	53%	0.528	S	S	*	.	H	α-helix	trans	-73.2	-39.2	177.9	-155.4	-94.2	0	0	0	112	G39 C40 L45 L46 L47	G39-F43 PolarHBondContact O-N 2.78Å; C40-F43 PolarHBondContact O-N 2.81Å; F43-L45 VanDerWaalsContact C-N 3.3Å; F43-L45 PolarHBondContact O-N 3.42Å; F43-L46 PolarHBondContact O-N 3.14Å; F43-L47 HydrophobicContact CD1-CD1 4.43Å; F43-L47 HydrophobicContact CE1-CD1 3.93Å; F43-L47 WeakPolarHBondContact O-CB 3.32Å; F43-L47 PolarHBondContact O-N 3.49Å
44	V	37.4	Very low	34.2	Very low	83 Å²	83	93.5 Å²	93.5	50%	0.503	54%	0.537	S	S	.	.	H	α-helix	trans	-66.2	-33.3	172.7	173.9	0	0	0	0	111.1	C40 N48	C40-V44 WeakPolarHBondContact O-CB 3.28Å; C40-V44 VanDerWaalsContact O-CG2 3.3Å; C40-V44 WeakPolarHBondContact O-CG2 3.34Å; C40-V44 PolarHBondContact O-N 3.13Å; V44-N48 WeakPolarHBondContact CG1-ND2 3.25Å; V44-N48 VanDerWaalsContact O-CB 3.26Å; V44-N48 WeakPolarHBondContact O-CB 3.19Å; V44-N48 PolarHBondContact O-N 2.78Å; V44-N48 PolarHBondContact O-ND2 2.83Å
45	L	33.8	Very low	33.8	Very low	105 Å²	105	95.8 Å²	95.8	55%	0.55	53%	0.532	S	S	.	.	H	α-helix	trans	-67.1	-45.2	172.7	-126.3	99.9	0	0	0	111.5	L41 S42 F43 L47 N48 I49	L41-L45 WeakPolarHBondContact O-CB 3.36Å; L41-L45 PolarHBondContact O-N 2.89Å; S42-L45 PolarHBondContact O-N 3.34Å; F43-L45 VanDerWaalsContact C-N 3.3Å; F43-L45 PolarHBondContact O-N 3.42Å; L45-L47 VanDerWaalsContact C-N 3.35Å; L45-L47 PolarHBondContact O-N 3.28Å; L45-N48 CarbonylContact O-C 3.6Å; L45-N48 PolarHBondContact O-N 3.43Å; L45-I49 HydrophobicContact CD2-CD1 4.21Å; L45-I49 WeakPolarHBondContact O-CB 2.87Å; L45-I49 VanDerWaalsContact O-CG1 3.23Å; L45-I49 WeakPolarHBondContact O-CG1 3.36Å; L45-I49 PolarHBondContact O-N 3.45Å
46	L	35.7	Very low	33.6	Very low	116 Å²	116	93.1 Å²	93.1	61%	0.607	52%	0.521	S	S	*	.	H	α-helix	trans	-64	-40	177.8	-79	166	0	0	0	111.8	S42 F43 I49 G50	S42-L46 WeakPolarHBondContact O-CG 3.31Å; S42-L46 PolarHBondContact O-N 3.46Å; F43-L46 PolarHBondContact O-N 3.14Å; L46-I49 PolarHBondContact O-N 2.73Å; L46-G50 PolarHBondContact O-N 3.25Å
47	L	38	Very low	33.5	Very low	97 Å²	97	93 Å²	93	51%	0.508	52%	0.524	S	S	.	.	H	α-helix	trans	-66.8	-40.1	174.4	-139.1	100.5	0	0	0	111	F43 L45 G50 I51	F43-L47 HydrophobicContact CD1-CD1 4.43Å; F43-L47 HydrophobicContact CE1-CD1 3.93Å; F43-L47 WeakPolarHBondContact O-CB 3.32Å; F43-L47 PolarHBondContact O-N 3.49Å; L45-L47 VanDerWaalsContact C-N 3.35Å; L45-L47 PolarHBondContact O-N 3.28Å; L47-G50 PolarHBondContact O-N 2.8Å; L47-I51 HydrophobicContact CD2-CD1 4Å; L47-I51 HydrophobicContact CG-CD1 4.48Å; L47-I51 WeakPolarHBondContact O-CB 3.4Å; L47-I51 WeakPolarHBondContact O-CG1 3.34Å; L47-I51 PolarHBondContact O-N 3.24Å
48	N	30.3	Very low	33.2	Very low	88 Å²	88	92.7 Å²	92.7	47%	0.471	52%	0.524	S	S	.	.	H	α-helix	trans	-67.7	-35.1	174.6	-82.8	-51.7	0	0	0	112.5	V44 L45 I51 L52	V44-N48 WeakPolarHBondContact CG1-ND2 3.25Å; V44-N48 VanDerWaalsContact O-CB 3.26Å; V44-N48 WeakPolarHBondContact O-CB 3.19Å; V44-N48 PolarHBondContact O-N 2.78Å; V44-N48 PolarHBondContact O-ND2 2.83Å; L45-N48 CarbonylContact O-C 3.6Å; L45-N48 PolarHBondContact O-N 3.43Å; N48-I51 PolarHBondContact O-N 3.26Å; N48-L52 VanDerWaalsContact O-CB 3.26Å; N48-L52 WeakPolarHBondContact O-CB 3.32Å; N48-L52 PolarHBondContact O-N 3.13Å
49	I	37.1	Very low	32.8	Very low	93 Å²	93	92.4 Å²	92.4	48%	0.477	52%	0.523	S	S	.	.	H	α-helix	trans	-68.9	-38.8	173.9	-69.7	164.3	0	0	0	110.4	L45 L46 L52 S53	L45-I49 HydrophobicContact CD2-CD1 4.21Å; L45-I49 WeakPolarHBondContact O-CB 2.87Å; L45-I49 VanDerWaalsContact O-CG1 3.23Å; L45-I49 WeakPolarHBondContact O-CG1 3.36Å; L45-I49 PolarHBondContact O-N 3.45Å; L46-I49 PolarHBondContact O-N 2.73Å; I49-L52 PolarHBondContact O-N 2.86Å; I49-S53 WeakPolarHBondContact O-CB 3.37Å; I49-S53 PolarHBondContact O-N 3.36Å; I49-S53 PolarHBondContact O-OG 3.09Å; I49-S53 VanDerWaalsContact O-OG 3.06Å
50	G	34.6	Very low	32.6	Very low	32 Å²	32	93.6 Å²	93.6	33%	0.33	52%	0.524	S	S	.	.	H	α-helix	trans	-62.7	-46.2	171.8	0	0	0	0	0	111.8	L46 L47 S53 I54	L46-G50 PolarHBondContact O-N 3.25Å; L47-G50 PolarHBondContact O-N 2.8Å; G50-S53 PolarHBondContact O-N 2.76Å; G50-I54 VanDerWaalsContact O-CG1 3.24Å; G50-I54 WeakPolarHBondContact O-CG1 3.26Å; G50-I54 PolarHBondContact O-N 2.69Å
51	I	33.3	Very low	32.5	Very low	75 Å²	75	94.6 Å²	94.6	39%	0.385	53%	0.532	S	S	.	.	H	α-helix	trans	-68.7	-35.6	176.5	-67	165.8	0	0	0	111.2	L47 N48 I54 R55	L47-I51 HydrophobicContact CD2-CD1 4Å; L47-I51 HydrophobicContact CG-CD1 4.48Å; L47-I51 WeakPolarHBondContact O-CB 3.4Å; L47-I51 WeakPolarHBondContact O-CG1 3.34Å; L47-I51 PolarHBondContact O-N 3.24Å; N48-I51 PolarHBondContact O-N 3.26Å; I51-I54 PolarHBondContact O-N 2.89Å; I51-R55 WeakPolarHBondContact O-CB 3.47Å; I51-R55 PolarHBondContact O-N 3.34Å
52	L	30	Very low	32.5	Very low	116 Å²	116	93.4 Å²	93.4	61%	0.607	54%	0.538	S	S	*	.	H	α-helix	trans	-67.5	-40	174	-132.9	87.5	0	0	0	110.2	N48 I49 R55 T56	N48-L52 VanDerWaalsContact O-CB 3.26Å; N48-L52 WeakPolarHBondContact O-CB 3.32Å; N48-L52 PolarHBondContact O-N 3.13Å; I49-L52 PolarHBondContact O-N 2.86Å; L52-R55 CarbonylContact O-C 3.5Å; L52-R55 PolarHBondContact O-N 3.33Å; L52-T56 WeakPolarHBondContact O-CB 3.35Å; L52-T56 PolarHBondContact O-N 3.22Å; L52-T56 PolarHBondContact O-OG1 3.13Å
53	S	32.6	Very low	32	Very low	68 Å²	68	94.1 Å²	94.1	48%	0.476	55%	0.548	S	S	.	.	H	α-helix	trans	-63.8	-42.1	174.6	-69.9	0	0	0	0	111.2	I49 G50 T56 V57	I49-S53 WeakPolarHBondContact O-CB 3.37Å; I49-S53 PolarHBondContact O-N 3.36Å; I49-S53 PolarHBondContact O-OG 3.09Å; I49-S53 VanDerWaalsContact O-OG 3.06Å; G50-S53 PolarHBondContact O-N 2.76Å; S53-T56 PolarHBondContact O-N 3.26Å; S53-V57 WeakPolarHBondContact O-CG2 3.27Å; S53-V57 PolarHBondContact O-N 2.76Å
54	I	32.3	Very low	31.5	Very low	119 Å²	119	94.4 Å²	94.4	61%	0.61	55%	0.553	S	S	*	*	H	α-helix	trans	-66.2	-40.9	175.5	-66.4	164.2	0	0	0	110.9	G50 I51 T56 V57 A58	G50-I54 VanDerWaalsContact O-CG1 3.24Å; G50-I54 WeakPolarHBondContact O-CG1 3.26Å; G50-I54 PolarHBondContact O-N 2.69Å; I51-I54 PolarHBondContact O-N 2.89Å; I54-T56 VanDerWaalsContact C-N 3.34Å; I54-T56 PolarHBondContact O-N 3.44Å; I54-V57 PolarHBondContact O-N 2.82Å; I54-A58 VanDerWaalsContact O-CB 3.31Å; I54-A58 WeakPolarHBondContact O-CB 3.44Å; I54-A58 PolarHBondContact O-N 3.1Å
55	R	27.2	Very low	31	Very low	172 Å²	172	95.2 Å²	95.2	65%	0.649	57%	0.569	S	S	*	*	H	α-helix	trans	-66.3	-35	173.5	-86.9	-173.4	173.3	173.6	0.3	112.1	I51 L52 V57 A58 T59	I51-R55 WeakPolarHBondContact O-CB 3.47Å; I51-R55 PolarHBondContact O-N 3.34Å; L52-R55 CarbonylContact O-C 3.5Å; L52-R55 PolarHBondContact O-N 3.33Å; R55-V57 VanDerWaalsContact C-N 3.33Å; R55-A58 PolarHBondContact O-N 3.44Å; R55-T59 WeakPolarHBondContact O-CB 3.22Å; R55-T59 WeakPolarHBondContact O-CG2 3.45Å; R55-T59 PolarHBondContact O-N 3.47Å; R55-T59 PolarHBondContact O-OG1 3.42Å
56	T	30.7	Very low	30.7	Very low	83 Å²	83	93.4 Å²	93.4	51%	0.509	57%	0.565	S	S	.	*	H	α-helix	trans	-69.7	-35.7	177.7	-44.9	0	0	0	0	110.3	L52 S53 I54 S60	L52-T56 WeakPolarHBondContact O-CB 3.35Å; L52-T56 PolarHBondContact O-N 3.22Å; L52-T56 PolarHBondContact O-OG1 3.13Å; S53-T56 PolarHBondContact O-N 3.26Å; I54-T56 VanDerWaalsContact C-N 3.34Å; I54-T56 PolarHBondContact O-N 3.44Å; T56-S60 WeakPolarHBondContact O-CB 3.26Å; T56-S60 PolarHBondContact O-N 3.48Å; T56-S60 PolarHBondContact O-OG 3.09Å
57	V	32.4	Very low	30.2	Very low	104 Å²	104	95.6 Å²	95.6	63%	0.63	58%	0.577	S	S	*	*	H	α-helix	trans	-69.7	-38.1	171.3	176	0	0	0	0	111.4	S53 I54 R55 S60 S61	S53-V57 WeakPolarHBondContact O-CG2 3.27Å; S53-V57 PolarHBondContact O-N 2.76Å; I54-V57 PolarHBondContact O-N 2.82Å; R55-V57 VanDerWaalsContact C-N 3.33Å; V57-S60 PolarHBondContact O-OG 2.97Å; V57-S60 VanDerWaalsContact O-OG 3.14Å; V57-S61 PolarHBondContact O-N 3.4Å
58	A	27.9	Very low	29.6	Very low	54 Å²	54	98 Å²	98	45%	0.446	59%	0.589	S	S	.	*	H	α-helix	trans	-77.1	-39.7	-178.9	0	0	0	0	0	113.7	I54 R55 S61	I54-A58 VanDerWaalsContact O-CB 3.31Å; I54-A58 WeakPolarHBondContact O-CB 3.44Å; I54-A58 PolarHBondContact O-N 3.1Å; R55-A58 PolarHBondContact O-N 3.44Å; A58-S61 WeakPolarHBondContact O-CB 3.29Å; A58-S61 PolarHBondContact O-N 3.06Å; A58-S61 PolarHBondContact O-OG 2.82Å
59	T	27.3	Very low	29.3	Very low	94 Å²	94	102.6 Å²	102.6	58%	0.577	61%	0.605	S	S	*	*	H	α-helix	trans	-79.5	-27.2	177.4	60	0	0	0	0	112.3	R55 S61 A62 A63	R55-T59 WeakPolarHBondContact O-CB 3.22Å; R55-T59 WeakPolarHBondContact O-CG2 3.45Å; R55-T59 PolarHBondContact O-N 3.47Å; R55-T59 PolarHBondContact O-OG1 3.42Å; T59-S61 VanDerWaalsContact C-N 3.26Å; T59-S61 PolarHBondContact O-N 3.36Å; T59-A62 PolarHBondContact O-N 3.34Å; T59-A63 PolarHBondContact O-N 3.02Å
60	S	29.1	Very low	28.7	Very low	71 Å²	71	105.5 Å²	105.5	50%	0.497	62%	0.621	S	S	.	*	H	α-helix	trans	-68.5	-25.6	167.3	64	0	0	0	0	112.6	T56 V57 A62	T56-S60 WeakPolarHBondContact O-CB 3.26Å; T56-S60 PolarHBondContact O-N 3.48Å; T56-S60 PolarHBondContact O-OG 3.09Å; V57-S60 PolarHBondContact O-OG 2.97Å; V57-S60 VanDerWaalsContact O-OG 3.14Å; S60-A62 PolarHBondContact O-N 3.23Å
61	S	29.1	Very low	28.2	Very low	95 Å²	95	109.2 Å²	109.2	66%	0.664	64%	0.639	S	S	*	*	H	α-helix	trans	-68.6	-19.9	174.5	85.8	0	0	0	0	114.2	V57 A58 T59	V57-S61 PolarHBondContact O-N 3.4Å; A58-S61 WeakPolarHBondContact O-CB 3.29Å; A58-S61 PolarHBondContact O-N 3.06Å; A58-S61 PolarHBondContact O-OG 2.82Å; T59-S61 VanDerWaalsContact C-N 3.26Å; T59-S61 PolarHBondContact O-N 3.36Å
62	A	32.1	Very low	27.8	Very low	88 Å²	88	112.1 Å²	112.1	73%	0.727	66%	0.655	S	S	*	*	H	α-helix	trans	-95.7	-27.4	178.3	0	0	0	0	0	113.4	T59 S60	T59-A62 PolarHBondContact O-N 3.34Å; S60-A62 PolarHBondContact O-N 3.23Å
63	A	27.1	Very low	27.7	Very low	80 Å²	80	112.6 Å²	112.6	66%	0.661	66%	0.657	S	S	*	*	H	α-helix	trans	-95.7	-17.1	-166.1	0	0	0	0	0	115.5	T59	T59-A63 PolarHBondContact O-N 3.02Å
64	M	24.6	Very low	27.3	Very low	150 Å²	150	114.1 Å²	114.1	74%	0.739	67%	0.666	S	S	*	*			trans	-143.8	76.7	176.7	-71.8	-160.5	179.4	0	0	111.7	S66	M64-S66 PolarHBondContact O-N 3.17Å
65	A	26.9	Very low	26.9	Very low	100 Å²	100	111.9 Å²	111.9	83%	0.826	67%	0.673	S	S	*	*			trans	-66.1	43.1	148.7	0	0	0	0	0	111.2
66	S	25.9	Very low	26.8	Very low	67 Å²	67	112.4 Å²	112.4	47%	0.469	68%	0.677	S	S	.	*			trans	-79.5	121.3	162.2	57.2	0	0	0	0	105.8	M64 I68	M64-S66 PolarHBondContact O-N 3.17Å; S66-I68 VanDerWaalsContact C-N 3.26Å; S66-I68 PolarHBondContact O-N 2.85Å
67	N	26.6	Very low	26.5	Very low	162 Å²	162	113.5 Å²	113.5	87%	0.866	69%	0.687	S	S	*	*			trans	-54.8	83.8	-179.3	-71.6	-53.4	0	0	0	111.4	K69	N67-K69 PolarHBondContact O-N 3.12Å
68	I	23.9	Very low	26.3	Very low	148 Å²	148	114 Å²	114	76%	0.759	69%	0.687	S	S	*	*			trans	-74.5	88.6	164.3	-58.9	176.5	0	0	0	105.2	S66 L70	S66-I68 VanDerWaalsContact C-N 3.26Å; S66-I68 PolarHBondContact O-N 2.85Å; I68-L70 PolarHBondContact O-N 3.36Å; I68-L70 VanDerWaalsContact O-N 3.09Å
69	K	23.9	Very low	26.2	Very low	183 Å²	183	116.8 Å²	116.8	80%	0.796	70%	0.703	S	S	*	*			trans	-56.6	114.4	164.1	-89.5	-178.1	170.8	-175.9	0	107.1	N67	N67-K69 PolarHBondContact O-N 3.12Å
70	L	25.2	Very low	26.2	Very low	155 Å²	155	119.4 Å²	119.4	81%	0.812	71%	0.713	S	S	*	*			trans	-49	143.2	162.4	-75.5	162.3	0	0	0	108.8	I68 D72	I68-L70 PolarHBondContact O-N 3.36Å; I68-L70 VanDerWaalsContact O-N 3.09Å; L70-D72 PolarHBondContact O-N 2.8Å
71	P	23.6	Very low	26.1	Very low	110 Å²	110	121.5 Å²	121.5	71%	0.714	73%	0.726	S	S	*	*			trans	-54.4	128.4	-172.2	18.2	-29.7	0	0	0	111.2	I73	P71-I73 WeakPolarHBondContact O-CG1 3.25Å; P71-I73 PolarHBondContact O-N 2.66Å; P71-I73 VanDerWaalsContact O-N 3.07Å
72	D	25.7	Very low	26	Very low	136 Å²	136	121 Å²	121	73%	0.727	72%	0.716	S	S	*	*			trans	-67.8	102.6	-176.5	-149.4	-7.6	0	0	0	109.1	L70 C74	L70-D72 PolarHBondContact O-N 2.8Å; D72-C74 PolarHBondContact O-N 3.12Å; D72-C74 PolarHBondContact OD1-SG 2.77Å
73	I	27.4	Very low	25.6	Very low	125 Å²	125	122 Å²	122	64%	0.641	71%	0.708	S	S	*	*			trans	-81.3	32.2	-170.9	-21.2	175.4	0	0	0	112.2	P71 G75 Y76	P71-I73 WeakPolarHBondContact O-CG1 3.25Å; P71-I73 PolarHBondContact O-N 2.66Å; P71-I73 VanDerWaalsContact O-N 3.07Å; I73-G75 PolarHBondContact O-N 3.22Å; I73-Y76 HydrophobicContact CB-CD2 4.45Å; I73-Y76 HydrophobicContact CG2-CD2 3.36Å; I73-Y76 HydrophobicContact CG2-CE2 3.33Å; I73-Y76 PolarHBondContact O-N 2.65Å
74	C	24.5	Very low	25.5	Very low	100 Å²	100	122.1 Å²	122.1	68%	0.676	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64	-4.7	-178.8	-71.2	0	0	0	0	114.5	D72	D72-C74 PolarHBondContact O-N 3.12Å; D72-C74 PolarHBondContact OD1-SG 2.77Å
75	G	24.1	Very low	25.6	Very low	73 Å²	73	125.9 Å²	125.9	75%	0.753	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.6	-13.8	178.1	0	0	0	0	0	115.7	I73 S77	I73-G75 PolarHBondContact O-N 3.22Å; G75-S77 PolarHBondContact O-N 3.14Å
76	Y	24.8	Very low	25.7	Very low	183 Å²	183	131.1 Å²	131.1	72%	0.718	71%	0.712	S	S	*	*			trans	-89.2	56	-179.6	-65.4	-77.7	0	0	0	112.5	I73 N78	I73-Y76 HydrophobicContact CB-CD2 4.45Å; I73-Y76 HydrophobicContact CG2-CD2 3.36Å; I73-Y76 HydrophobicContact CG2-CE2 3.33Å; I73-Y76 PolarHBondContact O-N 2.65Å; Y76-N78 VanDerWaalsContact C-N 3.28Å; Y76-N78 PolarHBondContact O-N 2.71Å; Y76-N78 VanDerWaalsContact O-N 3.15Å
77	S	24.7	Very low	25.7	Very low	105 Å²	105	136.9 Å²	136.9	73%	0.734	72%	0.724	S	S	*	*			trans	-81.2	71.8	166.5	163.6	0	0	0	0	109.5	G75	G75-S77 PolarHBondContact O-N 3.14Å
78	N	27.8	Very low	25.8	Very low	116 Å²	116	132.9 Å²	132.9	62%	0.62	70%	0.702	S	S	*	*			trans	-110.1	94.8	165.7	-107.3	-21.6	0	0	0	108.4	Y76 N80	Y76-N78 VanDerWaalsContact C-N 3.28Å; Y76-N78 PolarHBondContact O-N 2.71Å; Y76-N78 VanDerWaalsContact O-N 3.15Å; N78-N80 PolarHBondContact O-N 3.23Å
79	S	26.2	Very low	25.9	Very low	112 Å²	112	129.3 Å²	129.3	78%	0.783	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.2	2	-175.7	42.7	0	0	0	0	115.7
80	N	27.6	Very low	26.3	Very low	148 Å²	148	125.2 Å²	125.2	79%	0.791	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.4	-8.1	-175	-75.1	-9.9	0	0	0	116.7	N78	N78-N80 PolarHBondContact O-N 3.23Å
81	C	26.7	Very low	26.4	Very low	115 Å²	115	125.8 Å²	125.8	78%	0.777	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-143.3	4.1	-174.4	-70.3	0	0	0	0	118.5
82	L	26.5	Very low	26.7	Very low	85 Å²	85	128.2 Å²	128.2	45%	0.445	67%	0.669	S	S	.	*			trans	-129	113.1	-170.4	-63	170.9	0	0	0	111.3
83	I	24.8	Very low	27	Very low	108 Å²	108	126.6 Å²	126.6	55%	0.554	66%	0.657	S	S	*	*			trans	-57.7	126.2	173.5	-62.7	174.5	0	0	0	107.5	W85 R87	I83-W85 PolarHBondContact O-N 3.35Å; I83-R87 HydrophobicContact CG2-CB 4.14Å
84	P	24.9	Very low	27.1	Very low	83 Å²	83	124.5 Å²	124.5	54%	0.539	65%	0.647	S	S	.	*			trans	-57	133.8	-174.9	-24.3	31.8	0	0	0	111.6	K86 R87	P84-K86 PolarHBondContact O-N 3.47Å; P84-R87 PolarHBondContact O-N 3.06Å
85	W	26.5	Very low	27.3	Very low	229 Å²	229	130 Å²	130	87%	0.867	65%	0.654	S	S	*	*	G	3₁₀ helix	trans	-50.1	-31	178.8	-130.1	66.3	0	0	0	113.1	I83 R87 L88	I83-W85 PolarHBondContact O-N 3.35Å; W85-R87 PolarHBondContact O-N 2.75Å; W85-L88 HydrophobicContact CB-CD1 4.34Å; W85-L88 HydrophobicContact CD2-CD1 4.07Å; W85-L88 HydrophobicContact CG-CD1 3.72Å; W85-L88 VanDerWaalsContact O-CB 3.28Å; W85-L88 WeakPolarHBondContact O-CB 3.18Å; W85-L88 WeakPolarHBondContact O-CG 3.24Å; W85-L88 PolarHBondContact O-N 3.22Å; W85-L88 VanDerWaalsContact O-N 3.1Å
86	K	28.7	Very low	27.8	Very low	211 Å²	211	129.4 Å²	129.4	92%	0.917	63%	0.632	S	S	*	*	G	3₁₀ helix	trans	-66.5	-14.7	175.4	-71.6	-174.3	177.4	-179.8	0	114.9	P84	P84-K86 PolarHBondContact O-N 3.47Å
87	R	25.4	Very low	28	Very low	187 Å²	187	128.2 Å²	128.2	71%	0.706	64%	0.638	S	S	*	*	G	3₁₀ helix	trans	-91.5	0.3	172.8	-84.6	-171.8	172.7	-178.8	-0.9	113.4	I83 P84 W85 D89 H93	I83-R87 HydrophobicContact CG2-CB 4.14Å; P84-R87 PolarHBondContact O-N 3.06Å; W85-R87 PolarHBondContact O-N 2.75Å; R87-D89 PolarHBondContact O-N 3.05Å; R87-H93 PolarHBondContact O-CD2 2.95Å; R87-H93 PolarHBondContact O-NE2 3.4Å
88	L	28.3	Very low	28.5	Very low	78 Å²	78	134.4 Å²	134.4	41%	0.408	65%	0.645	S	S	.	*			trans	-73.3	59.5	172.6	-62.7	168.7	0	0	0	111.2	W85 S90	W85-L88 HydrophobicContact CB-CD1 4.34Å; W85-L88 HydrophobicContact CD2-CD1 4.07Å; W85-L88 HydrophobicContact CG-CD1 3.72Å; W85-L88 VanDerWaalsContact O-CB 3.28Å; W85-L88 WeakPolarHBondContact O-CB 3.18Å; W85-L88 WeakPolarHBondContact O-CG 3.24Å; W85-L88 PolarHBondContact O-N 3.22Å; W85-L88 VanDerWaalsContact O-N 3.1Å; L88-S90 PolarHBondContact O-N 3.14Å; L88-S90 VanDerWaalsContact O-N 3.08Å
89	D	26.4	Very low	28.9	Very low	74 Å²	74	132.4 Å²	132.4	40%	0.396	65%	0.652	S	S	.	*			trans	-70.6	98.6	161.8	-173.1	-4.1	0	0	0	106.6	R87 R91 K92 H93	R87-D89 PolarHBondContact O-N 3.05Å; D89-R91 PolarHBondContact O-N 3.24Å; D89-R91 PolarHBondContact OD1-N 3.28Å; D89-K92 PolarHBondContact O-N 2.87Å; D89-H93 PolarHBondContact O-N 2.96Å
90	S	31.8	Very low	29.7	Very low	96 Å²	96	131.1 Å²	131.1	67%	0.671	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.8	-21	-176	58.2	0	0	0	0	113.2	L88	L88-S90 PolarHBondContact O-N 3.14Å; L88-S90 VanDerWaalsContact O-N 3.08Å
91	R	28.5	Very low	30.4	Very low	167 Å²	167	127 Å²	127	63%	0.63	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.2	-21.1	177.1	-66.9	-177.9	178.4	180	-0.6	114.2	D89	D89-R91 PolarHBondContact O-N 3.24Å; D89-R91 PolarHBondContact OD1-N 3.28Å
92	K	29.5	Very low	31	Very low	161 Å²	161	122.9 Å²	122.9	70%	0.7	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.5	-27.6	-176.6	-71.5	-175.3	-179.2	176.6	0	113.7	D89 L94	D89-K92 PolarHBondContact O-N 2.87Å; K92-L94 PolarHBondContact O-N 3.32Å
93	H	31.2	Very low	31.9	Very low	103 Å²	103	120.4 Å²	120.4	48%	0.477	58%	0.575	S	S	.	*	T	Hydrogen-bonded Turn	trans	-78.8	-15.9	-171.7	-88.9	-67.1	0	0	0	115.9	R87 D89	R87-H93 PolarHBondContact O-CD2 2.95Å; R87-H93 PolarHBondContact O-NE2 3.4Å; D89-H93 PolarHBondContact O-N 2.96Å
94	L	31.3	Very low	33	Very low	81 Å²	81	116.6 Å²	116.6	42%	0.424	56%	0.558	S	S	.	*	T	Hydrogen-bonded Turn	trans	-129.1	19.1	179.5	-80.4	164	0	0	0	114.3	K92 I96 H135 L137	K92-L94 PolarHBondContact O-N 3.32Å; L94-I96 HydrophobicContact CD2-CD1 3.73Å; L94-I96 HydrophobicContact CD2-CG1 4.2Å; L94-I96 PolarHBondContact O-N 3.33Å; L94-H135 HydrophobicContact CD1-CB 4.12Å; L94-L137 HydrophobicContact CD2-CD2 3.84Å
95	R	27.4	Very low	34	Very low	216 Å²	216	113.3 Å²	113.3	82%	0.815	54%	0.536	S	S	*	.			trans	-75.9	72.3	158.7	-80.1	-173.7	177.8	-176.8	-0	108.3	L97	R95-L97 PolarHBondContact O-N 3.05Å
96	I	34.1	Very low	35.1	Very low	60 Å²	60	107.8 Å²	107.8	31%	0.308	52%	0.518	S	S	.	.			trans	-66.8	100.2	174.7	-61.8	168	0	0	0	106.5	L94 R98 S104 L137	L94-I96 HydrophobicContact CD2-CD1 3.73Å; L94-I96 HydrophobicContact CD2-CG1 4.2Å; L94-I96 PolarHBondContact O-N 3.33Å; I96-R98 PolarHBondContact O-N 2.65Å; I96-S104 WeakPolarHBondContact CG2-OG 3.22Å; I96-L137 HydrophobicContact CD1-CD2 3.36Å
97	L	30.2	Very low	36.2	Very low	158 Å²	158	103.9 Å²	103.9	83%	0.827	50%	0.503	S	S	*	.			trans	-57.8	126.6	164.9	-77.7	160.8	0	0	0	106.4	R95 G99 D100	R95-L97 PolarHBondContact O-N 3.05Å; L97-G99 PolarHBondContact O-N 3.46Å; L97-D100 PolarHBondContact O-N 3.28Å
98	R	34	Very low	37.6	Very low	234 Å²	234	95.3 Å²	95.3	88%	0.883	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-41.4	-15.9	-174.1	-114.6	177.6	175.9	-173.5	-2.9	116.8	I96	I96-R98 PolarHBondContact O-N 2.65Å
99	G	37.1	Very low	38.6	Very low	75 Å²	75	91.6 Å²	91.6	77%	0.773	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-22.8	-170.7	0	0	0	0	0	117.2	L97	L97-G99 PolarHBondContact O-N 3.46Å
100	D	43.6	Very low	39.8	Very low	85 Å²	85	92.4 Å²	92.4	46%	0.455	46%	0.457	S	S	.	.			trans	-133.3	61.3	-175.3	-157	-12.3	0	0	0	113.8	L97 S102 A103 S104	L97-D100 PolarHBondContact O-N 3.28Å; D100-S102 VanDerWaalsContact C-N 3.32Å; D100-S102 PolarHBondContact O-N 2.92Å; D100-S102 PolarHBondContact OD1-OG 2.9Å; D100-A103 HydrophobicContact CB-CB 4.41Å; D100-A103 VanDerWaalsContact CG-CB 3.45Å; D100-A103 VanDerWaalsContact OD1-CB 3.27Å; D100-A103 WeakPolarHBondContact OD1-CB 3.1Å; D100-A103 PolarHBondContact OD1-N 3.39Å; D100-A103 WeakPolarHBondContact OD2-CB 3.43Å; D100-S104 PolarHBondContact O-N 3.34Å; D100-S104 PolarHBondContact O-OG 2.79Å
101	K	41.8	Very low	41	Very low	61 Å²	61	92.3 Å²	92.3	27%	0.265	44%	0.442	S	S	.	.	H	α-helix	trans	-62.3	-34.8	179.4	-68.4	177.2	174.9	-179.3	0	112.3	S104 I105 E140 Y141	K101-S104 WeakPolarHBondContact O-CB 3.11Å; K101-S104 PolarHBondContact O-N 2.95Å; K101-I105 PolarHBondContact O-N 3.02Å; K101-I105 VanDerWaalsContact O-N 3.15Å; K101-E140 WeakPolarHBondContact CD-O 3.49Å; K101-E140 IonicContact NZ-OE2 3.72Å; K101-E140 PolarHBondContact NZ-OE2 3.4Å; K101-Y141 HydrophobicContact CB-CD2 3.68Å; K101-Y141 HydrophobicContact CB-CE2 4.08Å
102	S	40.1	Very low	42.1	Very low	28 Å²	28	84.4 Å²	84.4	20%	0.196	41%	0.412	C	S	.	.	H	α-helix	trans	-66.1	-43.7	178	47.3	0	0	0	0	113.8	D100 S104 I105 K106 Y141	D100-S102 VanDerWaalsContact C-N 3.32Å; D100-S102 PolarHBondContact O-N 2.92Å; D100-S102 PolarHBondContact OD1-OG 2.9Å; S102-S104 PolarHBondContact O-N 3.41Å; S102-I105 PolarHBondContact O-N 2.82Å; S102-K106 WeakPolarHBondContact O-CG 3.31Å; S102-K106 PolarHBondContact O-N 2.71Å; S102-K106 VanDerWaalsContact O-N 3.14Å; S102-Y141 VanDerWaalsContact OG-CZ 3.22Å; S102-Y141 PolarHBondContact OG-OH 2.93Å
103	A	44.4	Very low	43.1	Very low	33 Å²	33	79.1 Å²	79.1	27%	0.273	39%	0.388	S	S	.	.	H	α-helix	trans	-63.5	-34.3	176.6	0	0	0	0	0	110.3	D100 K106 H107	D100-A103 HydrophobicContact CB-CB 4.41Å; D100-A103 VanDerWaalsContact CG-CB 3.45Å; D100-A103 VanDerWaalsContact OD1-CB 3.27Å; D100-A103 WeakPolarHBondContact OD1-CB 3.1Å; D100-A103 PolarHBondContact OD1-N 3.39Å; D100-A103 WeakPolarHBondContact OD2-CB 3.43Å; A103-K106 PolarHBondContact O-N 2.95Å; A103-H107 VanDerWaalsContact O-CB 3.3Å; A103-H107 WeakPolarHBondContact O-CB 3.29Å; A103-H107 PolarHBondContact O-CD2 3.26Å; A103-H107 PolarHBondContact O-N 3.5Å
104	S	47.7	Very low	44	Very low	28 Å²	28	77 Å²	77	20%	0.196	39%	0.385	C	S	.	.	H	α-helix	trans	-65.3	-46.8	-179.8	-55.7	0	0	0	0	112.6	I96 D100 K101 S102 H107 A108	I96-S104 WeakPolarHBondContact CG2-OG 3.22Å; D100-S104 PolarHBondContact O-N 3.34Å; D100-S104 PolarHBondContact O-OG 2.79Å; K101-S104 WeakPolarHBondContact O-CB 3.11Å; K101-S104 PolarHBondContact O-N 2.95Å; S102-S104 PolarHBondContact O-N 3.41Å; S104-H107 PolarHBondContact O-N 2.98Å; S104-A108 WeakPolarHBondContact O-CB 3.5Å; S104-A108 PolarHBondContact O-N 2.85Å
105	I	45.6	Very low	45	Very low	14 Å²	14	75.2 Å²	75.2	7%	0.072	38%	0.38	C	S	.	.	H	α-helix	trans	-64.3	-46.6	175.9	-58.9	171.4	0	0	0	110.5	K101 S102 H107 A108 I109 C139	K101-I105 PolarHBondContact O-N 3.02Å; K101-I105 VanDerWaalsContact O-N 3.15Å; S102-I105 PolarHBondContact O-N 2.82Å; I105-H107 VanDerWaalsContact C-N 3.27Å; I105-H107 PolarHBondContact O-N 3.3Å; I105-A108 PolarHBondContact O-N 3.27Å; I105-A108 VanDerWaalsContact O-N 3.1Å; I105-I109 HydrophobicContact CG2-CD1 3.67Å; I105-I109 HydrophobicContact CG2-CG1 4.23Å; I105-I109 WeakPolarHBondContact O-CG1 3.36Å; I105-I109 PolarHBondContact O-N 3.36Å; I105-C139 HydrophobicContact CD1-CB 3.55Å; I105-C139 WeakPolarHBondContact CD1-SG 3.38Å; I105-C139 HydrophobicContact CG1-CB 4.3Å; I105-C139 WeakPolarHBondContact CG1-SG 3.26Å
106	K	49.6	Very low	46	Very low	114 Å²	114	68 Å²	68	50%	0.496	37%	0.372	S	S	.	.	H	α-helix	trans	-58.2	-41.9	176.9	-75.6	-179	178.2	179.3	0	111.3	S102 A103 I109 N110	S102-K106 WeakPolarHBondContact O-CG 3.31Å; S102-K106 PolarHBondContact O-N 2.71Å; S102-K106 VanDerWaalsContact O-N 3.14Å; A103-K106 PolarHBondContact O-N 2.95Å; K106-I109 PolarHBondContact O-N 3.31Å; K106-N110 VanDerWaalsContact O-CB 3.27Å; K106-N110 WeakPolarHBondContact O-CB 3.26Å; K106-N110 PolarHBondContact O-N 2.79Å; K106-N110 PolarHBondContact O-ND2 2.95Å
107	H	52.9	Low	46.5	Very low	128 Å²	128	70.2 Å²	70.2	59%	0.593	38%	0.384	S	S	*	.	H	α-helix	trans	-64.3	-40.7	175	-95.6	-65.2	0	0	0	112.6	A103 S104 I105 N110 W111	A103-H107 VanDerWaalsContact O-CB 3.3Å; A103-H107 WeakPolarHBondContact O-CB 3.29Å; A103-H107 PolarHBondContact O-CD2 3.26Å; A103-H107 PolarHBondContact O-N 3.5Å; S104-H107 PolarHBondContact O-N 2.98Å; I105-H107 VanDerWaalsContact C-N 3.27Å; I105-H107 PolarHBondContact O-N 3.3Å; H107-N110 PolarHBondContact O-N 2.92Å; H107-W111 WeakPolarHBondContact O-CB 3.35Å; H107-W111 PolarHBondContact O-N 2.85Å
108	A	53.6	Low	47.2	Very low	7 Å²	7	63.5 Å²	63.5	6%	0.058	35%	0.348	C	S	.	.	H	α-helix	trans	-66.4	-43.2	177.2	0	0	0	0	0	111.5	S104 I105 W111 V112 A131 L137	S104-A108 WeakPolarHBondContact O-CB 3.5Å; S104-A108 PolarHBondContact O-N 2.85Å; I105-A108 PolarHBondContact O-N 3.27Å; I105-A108 VanDerWaalsContact O-N 3.1Å; A108-W111 CarbonylContact O-C 3.49Å; A108-W111 WeakPolarHBondContact O-CA 3.48Å; A108-W111 VanDerWaalsContact O-CB 3.28Å; A108-W111 WeakPolarHBondContact O-CB 3.39Å; A108-W111 PolarHBondContact O-N 2.75Å; A108-W111 VanDerWaalsContact O-N 3.14Å; A108-V112 WeakPolarHBondContact O-CG2 3.44Å; A108-V112 PolarHBondContact O-N 3.46Å; A108-A131 HydrophobicContact CB-CB 3.85Å; A108-L137 HydrophobicContact CB-CD1 3.43Å; A108-L137 VanDerWaalsContact CB-CD1 3.43Å
109	I	49.2	Very low	47.7	Very low	0 Å²	0	54.5 Å²	54.5	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-62.6	-46.2	174.1	-68.3	169.3	0	0	0	111	I105 K106 W111 V112 Y113 Y124 A127 A128 A131	I105-I109 HydrophobicContact CG2-CD1 3.67Å; I105-I109 HydrophobicContact CG2-CG1 4.23Å; I105-I109 WeakPolarHBondContact O-CG1 3.36Å; I105-I109 PolarHBondContact O-N 3.36Å; K106-I109 PolarHBondContact O-N 3.31Å; I109-W111 PolarHBondContact O-N 2.64Å; I109-V112 WeakPolarHBondContact O-CA 3.45Å; I109-V112 WeakPolarHBondContact O-CB 3.48Å; I109-V112 PolarHBondContact O-N 3.33Å; I109-Y113 HydrophobicContact CG2-CD2 3.74Å; I109-Y113 HydrophobicContact CG2-CE2 3.38Å; I109-Y113 VanDerWaalsContact O-CD2 3.26Å; I109-Y113 WeakPolarHBondContact O-CD2 3.43Å; I109-Y113 PolarHBondContact O-N 3.49Å; I109-Y124 HydrophobicContact CB-CE2 4.46Å; I109-Y124 HydrophobicContact CD1-CD1 4.42Å; I109-Y124 HydrophobicContact CD1-CD2 4.36Å; I109-Y124 HydrophobicContact CD1-CE1 3.74Å; I109-Y124 HydrophobicContact CD1-CE2 3.67Å; I109-Y124 WeakPolarHBondContact CD1-OH 3.23Å; I109-Y124 HydrophobicContact CG2-CD2 3.92Å; I109-Y124 HydrophobicContact CG2-CE2 3.79Å; I109-A127 HydrophobicContact CG2-CB 4.07Å; I109-A128 HydrophobicContact CD1-CB 3.5Å; I109-A128 HydrophobicContact CG1-CB 3.91Å; I109-A131 HydrophobicContact CG1-CB 4.2Å
110	N	53.1	Low	48	Very low	92 Å²	92	60.6 Å²	60.6	49%	0.492	32%	0.32	S	S	.	.	H	α-helix	trans	-61.1	-36	174.5	-74.1	-20.1	0	0	0	111.2	K106 H107 Y113 S114	K106-N110 VanDerWaalsContact O-CB 3.27Å; K106-N110 WeakPolarHBondContact O-CB 3.26Å; K106-N110 PolarHBondContact O-N 2.79Å; K106-N110 PolarHBondContact O-ND2 2.95Å; H107-N110 PolarHBondContact O-N 2.92Å; N110-Y113 PolarHBondContact O-N 2.85Å; N110-S114 WeakPolarHBondContact O-CB 3.23Å; N110-S114 PolarHBondContact O-N 3.3Å; N110-S114 PolarHBondContact O-OG 3.03Å; N110-S114 VanDerWaalsContact O-OG 3.13Å
111	W	56.2	Low	48.2	Very low	94 Å²	94	65.9 Å²	65.9	36%	0.356	34%	0.335	S	S	.	.	H	α-helix	trans	-60.5	-47.5	172	177.5	88.3	0	0	0	110.6	H107 A108 I109 Y113 S114 S115 L117 H135	H107-W111 WeakPolarHBondContact O-CB 3.35Å; H107-W111 PolarHBondContact O-N 2.85Å; A108-W111 CarbonylContact O-C 3.49Å; A108-W111 WeakPolarHBondContact O-CA 3.48Å; A108-W111 VanDerWaalsContact O-CB 3.28Å; A108-W111 WeakPolarHBondContact O-CB 3.39Å; A108-W111 PolarHBondContact O-N 2.75Å; A108-W111 VanDerWaalsContact O-N 3.14Å; I109-W111 PolarHBondContact O-N 2.64Å; W111-Y113 PolarHBondContact O-N 3.48Å; W111-S114 VanDerWaalsContact CA-OG 3.28Å; W111-S114 WeakPolarHBondContact CA-OG 3.33Å; W111-S114 CarbonylContact O-C 3.56Å; W111-S114 PolarHBondContact O-N 3.14Å; W111-S114 VanDerWaalsContact O-N 3.09Å; W111-S114 PolarHBondContact O-OG 3.24Å; W111-S115 VanDerWaalsContact O-CB 3.31Å; W111-S115 WeakPolarHBondContact O-CB 3.4Å; W111-S115 PolarHBondContact O-N 2.75Å; W111-L117 HydrophobicContact CH2-CD1 4.18Å; W111-H135 AromaticContact CD2-CE1 3.91Å; W111-H135 AromaticContact CD2-NE2 3.64Å; W111-H135 AromaticContact CE3-CE1 3.7Å; W111-H135 AromaticContact CE3-NE2 3.13Å; W111-H135 AromaticContact CZ3-CE1 3.89Å; W111-H135 AromaticContact CZ3-NE2 3.54Å
112	V	51.9	Low	48.5	Very low	0 Å²	0	63.3 Å²	63.3	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-55.3	-48.8	176.1	174.8	0	0	0	0	111.4	A108 I109 S114 S115 F118 A127 A131	A108-V112 WeakPolarHBondContact O-CG2 3.44Å; A108-V112 PolarHBondContact O-N 3.46Å; I109-V112 WeakPolarHBondContact O-CA 3.45Å; I109-V112 WeakPolarHBondContact O-CB 3.48Å; I109-V112 PolarHBondContact O-N 3.33Å; V112-S114 PolarHBondContact O-N 3.36Å; V112-S115 PolarHBondContact O-N 3.46Å; V112-S115 PolarHBondContact O-OG 2.84Å; V112-F118 HydrophobicContact CG1-CB 3.78Å; V112-F118 HydrophobicContact CG1-CD1 4Å; V112-F118 HydrophobicContact CG1-CD2 3.19Å; V112-F118 HydrophobicContact CG1-CE1 4.49Å; V112-F118 HydrophobicContact CG1-CE2 3.78Å; V112-F118 HydrophobicContact CG1-CG 3.36Å; V112-F118 HydrophobicContact CG1-CZ 4.41Å; V112-A127 HydrophobicContact CG1-CB 4.1Å; V112-A131 HydrophobicContact CG2-CB 3.75Å
113	Y	49.7	Very low	49.2	Very low	50 Å²	50	62.3 Å²	62.3	20%	0.196	32%	0.317	C	S	.	.	H	α-helix	trans	-66	-36.4	175.6	-70.2	-58.6	0	0	0	113.7	I109 N110 W111 S115 T122 D123 Y124 A127	I109-Y113 HydrophobicContact CG2-CD2 3.74Å; I109-Y113 HydrophobicContact CG2-CE2 3.38Å; I109-Y113 VanDerWaalsContact O-CD2 3.26Å; I109-Y113 WeakPolarHBondContact O-CD2 3.43Å; I109-Y113 PolarHBondContact O-N 3.49Å; N110-Y113 PolarHBondContact O-N 2.85Å; W111-Y113 PolarHBondContact O-N 3.48Å; Y113-S115 VanDerWaalsContact C-N 3.34Å; Y113-T122 VanDerWaalsContact CE1-O 3.29Å; Y113-T122 WeakPolarHBondContact CE1-O 3.49Å; Y113-T122 PolarHBondContact OH-O 3.07Å; Y113-D123 PolarHBondContact OH-O 3.25Å; Y113-Y124 VanDerWaalsContact OH-CA 3.22Å; Y113-Y124 WeakPolarHBondContact OH-CA 3.5Å; Y113-Y124 PolarHBondContact OH-N 2.92Å; Y113-A127 HydrophobicContact CE1-CB 4.02Å; Y113-A127 HydrophobicContact CE2-CB 3.87Å
114	S	50.3	Low	49.7	Very low	59 Å²	59	64.7 Å²	64.7	41%	0.413	32%	0.319	S	S	.	.	H	α-helix	trans	-76	-23.9	-179.3	74.3	0	0	0	0	113.3	N110 W111 V112 G116	N110-S114 WeakPolarHBondContact O-CB 3.23Å; N110-S114 PolarHBondContact O-N 3.3Å; N110-S114 PolarHBondContact O-OG 3.03Å; N110-S114 VanDerWaalsContact O-OG 3.13Å; W111-S114 VanDerWaalsContact CA-OG 3.28Å; W111-S114 WeakPolarHBondContact CA-OG 3.33Å; W111-S114 CarbonylContact O-C 3.56Å; W111-S114 PolarHBondContact O-N 3.14Å; W111-S114 VanDerWaalsContact O-N 3.09Å; W111-S114 PolarHBondContact O-OG 3.24Å; V112-S114 PolarHBondContact O-N 3.36Å; S114-G116 PolarHBondContact O-N 3.03Å
115	S	51.7	Low	50.1	Low	44 Å²	44	67.4 Å²	67.4	31%	0.308	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-17.6	-178.1	72.1	0	0	0	0	112.8	W111 V112 Y113 L117	W111-S115 VanDerWaalsContact O-CB 3.31Å; W111-S115 WeakPolarHBondContact O-CB 3.4Å; W111-S115 PolarHBondContact O-N 2.75Å; V112-S115 PolarHBondContact O-N 3.46Å; V112-S115 PolarHBondContact O-OG 2.84Å; Y113-S115 VanDerWaalsContact C-N 3.34Å; S115-L117 PolarHBondContact O-N 3.48Å; S115-L117 VanDerWaalsContact OG-CB 3.25Å; S115-L117 WeakPolarHBondContact OG-CB 3.45Å; S115-L117 VanDerWaalsContact OG-CG 3.29Å; S115-L117 WeakPolarHBondContact OG-CG 3.38Å; S115-L117 PolarHBondContact OG-N 2.98Å; S115-L117 VanDerWaalsContact OG-N 3.12Å
116	G	48.5	Very low	50.6	Low	64 Å²	64	66.8 Å²	66.8	66%	0.66	32%	0.322	S	S	*	.	S	Bend	trans	72.6	-2.3	-171.1	0	0	0	0	0	114	S114 F118	S114-G116 PolarHBondContact O-N 3.03Å; G116-F118 PolarHBondContact O-N 3.25Å
117	L	45.5	Very low	51	Low	107 Å²	107	61.3 Å²	61.3	56%	0.56	30%	0.299	S	S	*	.	S	Bend	trans	-66	-28.9	174.1	-64.6	171.4	0	0	0	111.5	W111 S115	W111-L117 HydrophobicContact CH2-CD1 4.18Å; S115-L117 PolarHBondContact O-N 3.48Å; S115-L117 VanDerWaalsContact OG-CB 3.25Å; S115-L117 WeakPolarHBondContact OG-CB 3.45Å; S115-L117 VanDerWaalsContact OG-CG 3.29Å; S115-L117 WeakPolarHBondContact OG-CG 3.38Å; S115-L117 PolarHBondContact OG-N 2.98Å; S115-L117 VanDerWaalsContact OG-N 3.12Å
118	F	43.9	Very low	51.2	Low	17 Å²	17	55.9 Å²	55.9	8%	0.075	28%	0.276	C	S	.	.	S	Bend	trans	-117.8	129.2	178.1	-77.6	-113.1	0	0	0	108.9	V112 G116 T122 W130 V231 L319	V112-F118 HydrophobicContact CG1-CB 3.78Å; V112-F118 HydrophobicContact CG1-CD1 4Å; V112-F118 HydrophobicContact CG1-CD2 3.19Å; V112-F118 HydrophobicContact CG1-CE1 4.49Å; V112-F118 HydrophobicContact CG1-CE2 3.78Å; V112-F118 HydrophobicContact CG1-CG 3.36Å; V112-F118 HydrophobicContact CG1-CZ 4.41Å; G116-F118 PolarHBondContact O-N 3.25Å; F118-T122 HydrophobicContact CD1-CG2 3.6Å; F118-T122 HydrophobicContact CE1-CG2 4.21Å; F118-W130 HydrophobicContact CD2-CG 4.32Å; F118-W130 HydrophobicContact CE1-CB 4.02Å; F118-W130 HydrophobicContact CE1-CG 4.37Å; F118-W130 HydrophobicContact CE2-CB 3.75Å; F118-W130 AromaticContact CE2-CD1 3.37Å; F118-W130 AromaticContact CE2-CD2 3.47Å; F118-W130 HydrophobicContact CE2-CD2 3.47Å; F118-W130 VanDerWaalsContact CE2-CD2 3.47Å; F118-W130 AromaticContact CE2-CE2 3.71Å; F118-W130 HydrophobicContact CE2-CE3 4.2Å; F118-W130 AromaticContact CE2-CG 3.23Å; F118-W130 HydrophobicContact CE2-CG 3.23Å; F118-W130 AromaticContact CE2-NE1 3.64Å; F118-W130 HydrophobicContact CZ-CB 3.32Å; F118-W130 AromaticContact CZ-CD1 3.91Å; F118-W130 AromaticContact CZ-CD2 3.54Å; F118-W130 HydrophobicContact CZ-CD2 3.54Å; F118-W130 AromaticContact CZ-CE3 3.93Å; F118-W130 HydrophobicContact CZ-CE3 3.93Å; F118-W130 AromaticContact CZ-CG 3.28Å; F118-W130 HydrophobicContact CZ-CG 3.28Å; F118-V231 HydrophobicContact CE1-CG2 4.04Å; F118-V231 HydrophobicContact CZ-CG2 4.31Å; F118-L319 HydrophobicContact CE1-CD2 4.18Å
119	P	45.6	Very low	51.4	Low	45 Å²	45	55.7 Å²	55.7	29%	0.292	27%	0.274	S	S	.	.			trans	-48.8	144.4	166.9	-27	31.8	0	0	0	111.3	Y121 T122 Y318	P119-Y121 PolarHBondContact O-N 2.96Å; P119-T122 VanDerWaalsContact CD-OG1 3.26Å; P119-T122 WeakPolarHBondContact CD-OG1 3.32Å; P119-T122 WeakPolarHBondContact O-CB 3.37Å; P119-T122 PolarHBondContact O-N 3.25Å; P119-T122 PolarHBondContact O-OG1 3.45Å; P119-Y318 HydrophobicContact CB-CD2 4.04Å; P119-Y318 HydrophobicContact CB-CE2 4.14Å; P119-Y318 HydrophobicContact CB-CG 4.26Å; P119-Y318 HydrophobicContact CG-CD1 3.69Å; P119-Y318 HydrophobicContact CG-CD2 3.95Å; P119-Y318 HydrophobicContact CG-CE1 4.02Å; P119-Y318 HydrophobicContact CG-CE2 4.27Å; P119-Y318 HydrophobicContact CG-CG 3.65Å
120	R	43.6	Very low	51.8	Low	203 Å²	203	58.6 Å²	58.6	77%	0.766	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-16.7	179.4	-75.3	-174.4	177.1	-177.7	-1.1	114.2
121	Y	46.8	Very low	52	Low	196 Å²	196	54.3 Å²	54.3	77%	0.769	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.9	9.1	-179.3	-52.6	-68.5	0	0	0	113.1	P119	P119-Y121 PolarHBondContact O-N 2.96Å
122	T	48.1	Very low	51.8	Low	6 Å²	6	51.2 Å²	51.2	4%	0.037	25%	0.253	C	S	.	.	S	Bend	trans	-66.4	141.4	171.5	-53.5	0	0	0	0	109.6	Y113 F118 P119 A126 L319	Y113-T122 VanDerWaalsContact CE1-O 3.29Å; Y113-T122 WeakPolarHBondContact CE1-O 3.49Å; Y113-T122 PolarHBondContact OH-O 3.07Å; F118-T122 HydrophobicContact CD1-CG2 3.6Å; F118-T122 HydrophobicContact CE1-CG2 4.21Å; P119-T122 VanDerWaalsContact CD-OG1 3.26Å; P119-T122 WeakPolarHBondContact CD-OG1 3.32Å; P119-T122 WeakPolarHBondContact O-CB 3.37Å; P119-T122 PolarHBondContact O-N 3.25Å; P119-T122 PolarHBondContact O-OG1 3.45Å; T122-A126 HydrophobicContact CG2-CB 4.34Å; T122-L319 HydrophobicContact CG2-CD1 3.21Å; T122-L319 HydrophobicContact CG2-CD2 4.17Å; T122-L319 HydrophobicContact CG2-CG 3.63Å
123	D	55.9	Low	51.8	Low	8 Å²	8	52.7 Å²	52.7	4%	0.043	26%	0.26	C	S	.	.			trans	-61.6	147.1	-176.9	72.5	91.5	0	0	0	112.5	Y113 Y125 A126 A127 H224 S227 S316 L319	Y113-D123 PolarHBondContact OH-O 3.25Å; D123-Y125 PolarHBondContact O-N 3.18Å; D123-Y125 WeakPolarHBondContact OD1-CA 3.34Å; D123-Y125 WeakPolarHBondContact OD1-CB 2.89Å; D123-Y125 PolarHBondContact OD1-N 2.85Å; D123-Y125 VanDerWaalsContact OD1-N 3.14Å; D123-A126 PolarHBondContact O-N 2.92Å; D123-A126 WeakPolarHBondContact OD1-CB 3.34Å; D123-A126 PolarHBondContact OD1-N 3.05Å; D123-A126 VanDerWaalsContact OD2-CB 3.23Å; D123-A126 WeakPolarHBondContact OD2-CB 3.28Å; D123-A127 PolarHBondContact O-N 3.35Å; D123-H224 WeakPolarHBondContact CB-CD2 3.4Å; D123-S227 WeakPolarHBondContact OD2-CB 3.4Å; D123-S227 PolarHBondContact OD2-OG 3.04Å; D123-S316 PolarHBondContact OD2-OG 3.36Å; D123-L319 WeakPolarHBondContact OD2-CD1 3.39Å
124	Y	54.9	Low	52	Low	82 Å²	82	52.7 Å²	52.7	32%	0.322	27%	0.271	S	S	.	.	H	α-helix	trans	-59	-33.8	-175.9	-178.7	-91.7	0	0	0	112.5	I109 Y113 A128	I109-Y124 HydrophobicContact CB-CE2 4.46Å; I109-Y124 HydrophobicContact CD1-CD1 4.42Å; I109-Y124 HydrophobicContact CD1-CD2 4.36Å; I109-Y124 HydrophobicContact CD1-CE1 3.74Å; I109-Y124 HydrophobicContact CD1-CE2 3.67Å; I109-Y124 WeakPolarHBondContact CD1-OH 3.23Å; I109-Y124 HydrophobicContact CG2-CD2 3.92Å; I109-Y124 HydrophobicContact CG2-CE2 3.79Å; Y113-Y124 VanDerWaalsContact OH-CA 3.22Å; Y113-Y124 WeakPolarHBondContact OH-CA 3.5Å; Y113-Y124 PolarHBondContact OH-N 2.92Å; Y124-A128 VanDerWaalsContact O-CB 3.26Å; Y124-A128 WeakPolarHBondContact O-CB 3.49Å; Y124-A128 PolarHBondContact O-N 3.41Å
125	Y	55.3	Low	51.9	Low	86 Å²	86	52.3 Å²	52.3	34%	0.337	26%	0.262	S	S	.	.	H	α-helix	trans	-73.9	-38.9	-176.6	-64.2	-78.4	0	0	0	112.2	D123 A128 A129 W190 H224 T228	D123-Y125 PolarHBondContact O-N 3.18Å; D123-Y125 WeakPolarHBondContact OD1-CA 3.34Å; D123-Y125 WeakPolarHBondContact OD1-CB 2.89Å; D123-Y125 PolarHBondContact OD1-N 2.85Å; D123-Y125 VanDerWaalsContact OD1-N 3.14Å; Y125-A128 CarbonylContact O-C 3.6Å; Y125-A128 WeakPolarHBondContact O-CB 3.32Å; Y125-A128 PolarHBondContact O-N 3.46Å; Y125-A129 WeakPolarHBondContact O-CB 3.39Å; Y125-A129 PolarHBondContact O-N 3.35Å; Y125-W190 HydrophobicContact CE2-CH2 4.3Å; Y125-H224 HydrophobicContact CD2-CB 3.66Å; Y125-H224 AromaticContact CD2-CG 3.68Å; Y125-H224 AromaticContact CD2-ND1 3.89Å; Y125-H224 HydrophobicContact CE2-CB 4.24Å; Y125-H224 AromaticContact CE2-ND1 3.75Å; Y125-H224 HydrophobicContact CG-CB 4.41Å; Y125-T228 WeakPolarHBondContact CB-OG1 3.41Å
126	A	57.2	Low	51.4	Low	0 Å²	0	53 Å²	53	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-72.7	-37.7	175.5	0	0	0	0	0	112.1	T122 D123 A128 A129 W130 V231 L319	T122-A126 HydrophobicContact CG2-CB 4.34Å; D123-A126 PolarHBondContact O-N 2.92Å; D123-A126 WeakPolarHBondContact OD1-CB 3.34Å; D123-A126 PolarHBondContact OD1-N 3.05Å; D123-A126 VanDerWaalsContact OD2-CB 3.23Å; D123-A126 WeakPolarHBondContact OD2-CB 3.28Å; A126-A128 VanDerWaalsContact C-N 3.27Å; A126-A128 PolarHBondContact O-N 2.92Å; A126-A129 PolarHBondContact O-N 3.3Å; A126-W130 PolarHBondContact O-N 3.08Å; A126-V231 HydrophobicContact CB-CG2 3.8Å; A126-L319 HydrophobicContact CB-CD1 3.05Å
127	A	57.8	Low	51	Low	0 Å²	0	50.8 Å²	50.8	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-61.4	-38.4	169	0	0	0	0	0	111.2	I109 V112 Y113 D123 A131	I109-A127 HydrophobicContact CG2-CB 4.07Å; V112-A127 HydrophobicContact CG1-CB 4.1Å; Y113-A127 HydrophobicContact CE1-CB 4.02Å; Y113-A127 HydrophobicContact CE2-CB 3.87Å; D123-A127 PolarHBondContact O-N 3.35Å; A127-A131 VanDerWaalsContact O-CB 3.27Å; A127-A131 WeakPolarHBondContact O-CB 3.36Å; A127-A131 PolarHBondContact O-N 3.26Å
128	A	55.5	Low	50.6	Low	13 Å²	13	50.3 Å²	50.3	11%	0.107	25%	0.251	C	S	.	.	H	α-helix	trans	-64.8	-46.6	173.2	0	0	0	0	0	112.4	I109 Y124 Y125 A126 W130 A131 I132	I109-A128 HydrophobicContact CD1-CB 3.5Å; I109-A128 HydrophobicContact CG1-CB 3.91Å; Y124-A128 VanDerWaalsContact O-CB 3.26Å; Y124-A128 WeakPolarHBondContact O-CB 3.49Å; Y124-A128 PolarHBondContact O-N 3.41Å; Y125-A128 CarbonylContact O-C 3.6Å; Y125-A128 WeakPolarHBondContact O-CB 3.32Å; Y125-A128 PolarHBondContact O-N 3.46Å; A126-A128 VanDerWaalsContact C-N 3.27Å; A126-A128 PolarHBondContact O-N 2.92Å; A128-W130 VanDerWaalsContact C-N 3.29Å; A128-W130 PolarHBondContact O-N 3.42Å; A128-A131 WeakPolarHBondContact O-CB 3.29Å; A128-A131 PolarHBondContact O-N 2.97Å; A128-A131 VanDerWaalsContact O-N 3.17Å; A128-I132 WeakPolarHBondContact O-CB 3.49Å; A128-I132 WeakPolarHBondContact O-CD1 3.48Å; A128-I132 WeakPolarHBondContact O-CG1 3.5Å; A128-I132 PolarHBondContact O-N 2.96Å
129	A	59	Low	49.9	Very low	3 Å²	3	50.7 Å²	50.7	3%	0.025	26%	0.255	C	S	.	.	H	α-helix	trans	-60	-42	177.4	0	0	0	0	0	111.2	Y125 A126 I132 L133 T228 V231 L232	Y125-A129 WeakPolarHBondContact O-CB 3.39Å; Y125-A129 PolarHBondContact O-N 3.35Å; A126-A129 PolarHBondContact O-N 3.3Å; A129-I132 PolarHBondContact O-N 3.35Å; A129-L133 WeakPolarHBondContact O-CG 3.44Å; A129-L133 PolarHBondContact O-N 3.11Å; A129-T228 HydrophobicContact CB-CG2 3.91Å; A129-V231 HydrophobicContact CB-CB 4.46Å; A129-V231 HydrophobicContact CB-CG1 3.94Å; A129-L232 HydrophobicContact CB-CD2 4.42Å; A129-L232 HydrophobicContact CB-CG 4.44Å
130	W	57.6	Low	48.9	Very low	62 Å²	62	53.8 Å²	53.8	24%	0.235	27%	0.265	C	S	.	.	H	α-helix	trans	-66.7	-43.4	174.3	-175.3	-94.1	0	0	0	112.1	F118 A126 A128 I132 L133 A134 V231	F118-W130 HydrophobicContact CD2-CG 4.32Å; F118-W130 HydrophobicContact CE1-CB 4.02Å; F118-W130 HydrophobicContact CE1-CG 4.37Å; F118-W130 HydrophobicContact CE2-CB 3.75Å; F118-W130 AromaticContact CE2-CD1 3.37Å; F118-W130 AromaticContact CE2-CD2 3.47Å; F118-W130 HydrophobicContact CE2-CD2 3.47Å; F118-W130 VanDerWaalsContact CE2-CD2 3.47Å; F118-W130 AromaticContact CE2-CE2 3.71Å; F118-W130 HydrophobicContact CE2-CE3 4.2Å; F118-W130 AromaticContact CE2-CG 3.23Å; F118-W130 HydrophobicContact CE2-CG 3.23Å; F118-W130 AromaticContact CE2-NE1 3.64Å; F118-W130 HydrophobicContact CZ-CB 3.32Å; F118-W130 AromaticContact CZ-CD1 3.91Å; F118-W130 AromaticContact CZ-CD2 3.54Å; F118-W130 HydrophobicContact CZ-CD2 3.54Å; F118-W130 AromaticContact CZ-CE3 3.93Å; F118-W130 HydrophobicContact CZ-CE3 3.93Å; F118-W130 AromaticContact CZ-CG 3.28Å; F118-W130 HydrophobicContact CZ-CG 3.28Å; A126-W130 PolarHBondContact O-N 3.08Å; A128-W130 VanDerWaalsContact C-N 3.29Å; A128-W130 PolarHBondContact O-N 3.42Å; W130-I132 PolarHBondContact O-N 2.87Å; W130-L133 PolarHBondContact O-N 3.37Å; W130-A134 WeakPolarHBondContact O-CB 3.47Å; W130-A134 PolarHBondContact O-N 3.42Å; W130-V231 HydrophobicContact CB-CG1 3.79Å; W130-V231 HydrophobicContact CE3-CG1 4.04Å
131	A	56.6	Low	48.2	Very low	1 Å²	1	48.2 Å²	48.2	1%	0.008	25%	0.245	C	C	.	.	H	α-helix	trans	-57.5	-41.4	175.5	0	0	0	0	0	111.1	A108 I109 V112 A127 A128 H135	A108-A131 HydrophobicContact CB-CB 3.85Å; I109-A131 HydrophobicContact CG1-CB 4.2Å; V112-A131 HydrophobicContact CG2-CB 3.75Å; A127-A131 VanDerWaalsContact O-CB 3.27Å; A127-A131 WeakPolarHBondContact O-CB 3.36Å; A127-A131 PolarHBondContact O-N 3.26Å; A128-A131 WeakPolarHBondContact O-CB 3.29Å; A128-A131 PolarHBondContact O-N 2.97Å; A128-A131 VanDerWaalsContact O-N 3.17Å; A131-H135 VanDerWaalsContact O-CB 3.26Å; A131-H135 WeakPolarHBondContact O-CB 3.38Å; A131-H135 PolarHBondContact O-CD2 3.22Å; A131-H135 VanDerWaalsContact O-CD2 3.23Å; A131-H135 PolarHBondContact O-N 3.25Å
132	I	52.1	Low	47.2	Very low	30 Å²	30	42 Å²	42	15%	0.154	24%	0.241	C	C	.	.	H	α-helix	trans	-62.7	-49.8	176.2	-70.7	162.9	0	0	0	110.6	A128 A129 W130 G136 L137 M150	A128-I132 WeakPolarHBondContact O-CB 3.49Å; A128-I132 WeakPolarHBondContact O-CD1 3.48Å; A128-I132 WeakPolarHBondContact O-CG1 3.5Å; A128-I132 PolarHBondContact O-N 2.96Å; A129-I132 PolarHBondContact O-N 3.35Å; W130-I132 PolarHBondContact O-N 2.87Å; I132-G136 CarbonylContact O-C 3.33Å; I132-G136 VanDerWaalsContact O-CA 3.24Å; I132-G136 WeakPolarHBondContact O-CA 3.33Å; I132-G136 PolarHBondContact O-N 3.06Å; I132-L137 PolarHBondContact O-N 2.82Å; I132-L137 VanDerWaalsContact O-N 3.12Å; I132-M150 HydrophobicContact CG2-CE 3.59Å; I132-M150 HydrophobicContact CG2-SD 4Å
133	L	53.3	Low	46.1	Very low	31 Å²	31	45.6 Å²	45.6	16%	0.162	28%	0.279	C	S	.	.	H	α-helix	trans	-63.6	-48.6	178.7	-72.1	173.5	0	0	0	112.6	A129 W130 H135 L181 V231 L232 V237	A129-L133 WeakPolarHBondContact O-CG 3.44Å; A129-L133 PolarHBondContact O-N 3.11Å; W130-L133 PolarHBondContact O-N 3.37Å; L133-H135 VanDerWaalsContact C-N 3.34Å; L133-H135 PolarHBondContact O-N 2.9Å; L133-L181 HydrophobicContact CD2-CD1 4.2Å; L133-V231 HydrophobicContact CD1-CG1 4.32Å; L133-L232 HydrophobicContact CD1-CD2 4.17Å; L133-L232 HydrophobicContact CG-CD2 4.42Å; L133-V237 HydrophobicContact CD2-CG2 4.21Å
134	A	52.3	Low	44.7	Very low	50 Å²	50	47.7 Å²	47.7	41%	0.413	29%	0.292	S	S	.	.	H	α-helix	trans	-69.7	-30.9	-174.5	0	0	0	0	0	112.9	W130	W130-A134 WeakPolarHBondContact O-CB 3.47Å; W130-A134 PolarHBondContact O-N 3.42Å
135	H	48.3	Very low	43.5	Very low	51 Å²	51	45.5 Å²	45.5	24%	0.236	29%	0.288	C	S	.	.	H	α-helix	trans	-108	-1.9	-178.1	-61.1	-64.2	0	0	0	113.8	L94 W111 A131 L133 L137	L94-H135 HydrophobicContact CD1-CB 4.12Å; W111-H135 AromaticContact CD2-CE1 3.91Å; W111-H135 AromaticContact CD2-NE2 3.64Å; W111-H135 AromaticContact CE3-CE1 3.7Å; W111-H135 AromaticContact CE3-NE2 3.13Å; W111-H135 AromaticContact CZ3-CE1 3.89Å; W111-H135 AromaticContact CZ3-NE2 3.54Å; A131-H135 VanDerWaalsContact O-CB 3.26Å; A131-H135 WeakPolarHBondContact O-CB 3.38Å; A131-H135 PolarHBondContact O-CD2 3.22Å; A131-H135 VanDerWaalsContact O-CD2 3.23Å; A131-H135 PolarHBondContact O-N 3.25Å; L133-H135 VanDerWaalsContact C-N 3.34Å; L133-H135 PolarHBondContact O-N 2.9Å; H135-L137 HydrophobicContact CB-CD1 3.69Å; H135-L137 HydrophobicContact CB-CD2 4.41Å; H135-L137 HydrophobicContact CB-CG 3.59Å; H135-L137 PolarHBondContact O-N 3.3Å
136	G	41.8	Very low	42.1	Very low	58 Å²	58	43.4 Å²	43.4	60%	0.598	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.5	33.4	-175.5	0	0	0	0	0	113	I132 V138	I132-G136 CarbonylContact O-C 3.33Å; I132-G136 VanDerWaalsContact O-CA 3.24Å; I132-G136 WeakPolarHBondContact O-CA 3.33Å; I132-G136 PolarHBondContact O-N 3.06Å; G136-V138 PolarHBondContact O-N 3.24Å; G136-V138 VanDerWaalsContact O-N 3.14Å
137	L	40.6	Very low	40.5	Very low	17 Å²	17	46.1 Å²	46.1	9%	0.089	30%	0.303	C	S	.	.			trans	-80.1	95.3	-172.8	-68.5	167.7	0	0	0	111.1	L94 I96 A108 I132 H135 C139	L94-L137 HydrophobicContact CD2-CD2 3.84Å; I96-L137 HydrophobicContact CD1-CD2 3.36Å; A108-L137 HydrophobicContact CB-CD1 3.43Å; A108-L137 VanDerWaalsContact CB-CD1 3.43Å; I132-L137 PolarHBondContact O-N 2.82Å; I132-L137 VanDerWaalsContact O-N 3.12Å; H135-L137 HydrophobicContact CB-CD1 3.69Å; H135-L137 HydrophobicContact CB-CD2 4.41Å; H135-L137 HydrophobicContact CB-CG 3.59Å; H135-L137 PolarHBondContact O-N 3.3Å; L137-C139 PolarHBondContact O-N 2.95Å; L137-C139 PolarHBondContact O-SG 3.3Å
138	V	36	Very low	39.1	Very low	98 Å²	98	49.3 Å²	49.3	59%	0.594	32%	0.318	S	S	*	.			trans	-76.1	117.4	168.3	-177	0	0	0	0	108.8	G136 M150	G136-V138 PolarHBondContact O-N 3.24Å; G136-V138 VanDerWaalsContact O-N 3.14Å; V138-M150 HydrophobicContact CG1-CB 4.21Å; V138-M150 HydrophobicContact CG2-CB 4.46Å; V138-M150 HydrophobicContact CG2-SD 4.01Å
139	C	28.9	Very low	37.8	Very low	25 Å²	25	51.2 Å²	51.2	17%	0.169	32%	0.322	C	S	.	.			trans	-121.4	128.3	-170.3	-64.5	0	0	0	0	113.7	I105 L137	I105-C139 HydrophobicContact CD1-CB 3.55Å; I105-C139 WeakPolarHBondContact CD1-SG 3.38Å; I105-C139 HydrophobicContact CG1-CB 4.3Å; I105-C139 WeakPolarHBondContact CG1-SG 3.26Å; L137-C139 PolarHBondContact O-N 2.95Å; L137-C139 PolarHBondContact O-SG 3.3Å
140	E	25.3	Very low	36.3	Very low	109 Å²	109	53.8 Å²	53.8	51%	0.509	34%	0.335	S	S	.	.			trans	-123	128.6	166.3	-60.3	173.4	130.1	0	0	108.4	K101	K101-E140 WeakPolarHBondContact CD-O 3.49Å; K101-E140 IonicContact NZ-OE2 3.72Å; K101-E140 PolarHBondContact NZ-OE2 3.4Å
141	Y	29	Very low	34.7	Very low	86 Å²	86	57.3 Å²	57.3	34%	0.337	35%	0.349	S	S	.	.			trans	175.1	96.2	-160.8	-146.7	-81.7	0	0	0	116.4	K101 S102 G143 T146	K101-Y141 HydrophobicContact CB-CD2 3.68Å; K101-Y141 HydrophobicContact CB-CE2 4.08Å; S102-Y141 VanDerWaalsContact OG-CZ 3.22Å; S102-Y141 PolarHBondContact OG-OH 2.93Å; Y141-G143 PolarHBondContact O-N 2.61Å; Y141-T146 WeakPolarHBondContact CA-OG1 3.37Å; Y141-T146 VanDerWaalsContact CB-CG2 3.46Å; Y141-T146 PolarHBondContact N-OG1 2.78Å; Y141-T146 VanDerWaalsContact O-CB 3.25Å; Y141-T146 WeakPolarHBondContact O-CB 3.49Å; Y141-T146 WeakPolarHBondContact O-CG2 3.37Å; Y141-T146 PolarHBondContact O-OG1 3.43Å
142	G	25	Very low	33.3	Very low	67 Å²	67	64.6 Å²	64.6	69%	0.691	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	124.6	169	0	0	0	0	0	112.3	T146	G142-T146 PolarHBondContact N-OG1 2.83Å; G142-T146 VanDerWaalsContact N-OG1 3.13Å
143	G	26.2	Very low	31.9	Very low	81 Å²	81	70.1 Å²	70.1	84%	0.835	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	123.7	-13	175.3	0	0	0	0	0	115.4	Y141	Y141-G143 PolarHBondContact O-N 2.61Å
144	V	26.4	Very low	30.6	Very low	51 Å²	51	73.6 Å²	73.6	31%	0.309	44%	0.441	S	S	.	.	S	Bend	trans	-134.9	155.8	156.7	175.8	0	0	0	0	103.6	T146	V144-T146 WeakPolarHBondContact O-CG2 3.45Å; V144-T146 PolarHBondContact O-N 2.71Å
145	P	29.3	Very low	29.4	Very low	36 Å²	36	81.3 Å²	81.3	23%	0.234	46%	0.459	C	S	.	.	S	Bend	trans	-57.2	115.2	-167	-32.6	40.5	0	0	0	115.5	K186	P145-K186 HydrophobicContact CB-CD 3.74Å; P145-K186 VanDerWaalsContact CB-CE 3.47Å; P145-K186 VanDerWaalsContact CB-NZ 3.31Å; P145-K186 HydrophobicContact CG-CD 4.09Å
146	T	25.5	Very low	28.2	Very low	42 Å²	42	86.1 Å²	86.1	26%	0.258	49%	0.487	S	S	.	.			trans	-138.5	157.5	176.9	64.7	0	0	0	0	111	Y141 G142 V144	Y141-T146 WeakPolarHBondContact CA-OG1 3.37Å; Y141-T146 VanDerWaalsContact CB-CG2 3.46Å; Y141-T146 PolarHBondContact N-OG1 2.78Å; Y141-T146 VanDerWaalsContact O-CB 3.25Å; Y141-T146 WeakPolarHBondContact O-CB 3.49Å; Y141-T146 WeakPolarHBondContact O-CG2 3.37Å; Y141-T146 PolarHBondContact O-OG1 3.43Å; G142-T146 PolarHBondContact N-OG1 2.83Å; G142-T146 VanDerWaalsContact N-OG1 3.13Å; V144-T146 WeakPolarHBondContact O-CG2 3.45Å; V144-T146 PolarHBondContact O-N 2.71Å
147	S	24.4	Very low	27.4	Very low	57 Å²	57	93 Å²	93	40%	0.399	50%	0.495	S	S	.	.	S	Bend	cis	-136.3	23.9	22.3	37.4	0	0	0	0	113.2
148	E	28.4	Very low	26.7	Very low	67 Å²	67	102.5 Å²	102.5	31%	0.313	54%	0.535	S	S	.	.			trans	-117.1	16.4	-163.8	-68.1	173.1	150	0	0	114.5	M150 Y151 A184	E148-M150 VanDerWaalsContact C-N 3.29Å; E148-M150 PolarHBondContact O-N 3.24Å; E148-Y151 HydrophobicContact CG-CE2 4.29Å; E148-A184 HydrophobicContact CB-CB 3.8Å
149	W	27	Very low	26.2	Very low	54 Å²	54	101.8 Å²	101.8	21%	0.205	53%	0.527	C	S	.	.	S	Bend	trans	-74.6	-14.8	-173.6	-81.5	56.4	0	0	0	114.7	I182 I183 W225 T228	W149-I182 CarbonylContact C-O 3.42Å; W149-I183 HydrophobicContact CD2-CG2 4.16Å; W149-I183 HydrophobicContact CE3-CG1 4.5Å; W149-I183 HydrophobicContact CE3-CG2 3.82Å; W149-I183 HydrophobicContact CH2-CG2 3.75Å; W149-I183 HydrophobicContact CZ2-CG2 4.07Å; W149-I183 HydrophobicContact CZ3-CG2 3.61Å; W149-W225 HydrophobicContact CH2-CZ3 4.17Å; W149-T228 HydrophobicContact CH2-CG2 4.48Å
150	M	28.4	Very low	26.3	Very low	57 Å²	57	103.6 Å²	103.6	28%	0.281	54%	0.54	S	S	.	.			trans	-159.2	87.2	-175.9	-65.9	-177.2	151.9	0	0	110.5	I132 V138 E148 D152 L181	I132-M150 HydrophobicContact CG2-CE 3.59Å; I132-M150 HydrophobicContact CG2-SD 4Å; V138-M150 HydrophobicContact CG1-CB 4.21Å; V138-M150 HydrophobicContact CG2-CB 4.46Å; V138-M150 HydrophobicContact CG2-SD 4.01Å; E148-M150 VanDerWaalsContact C-N 3.29Å; E148-M150 PolarHBondContact O-N 3.24Å; M150-D152 PolarHBondContact O-N 3.16Å; M150-L181 HydrophobicContact CE-CD1 3.66Å; M150-L181 HydrophobicContact CE-CD2 3.83Å; M150-L181 HydrophobicContact CE-CG 4.03Å; M150-L181 HydrophobicContact CG-CD2 4.19Å
151	Y	23.8	Very low	26.6	Very low	135 Å²	135	104.1 Å²	104.1	53%	0.529	55%	0.551	S	S	.	*			trans	-81	104	154.9	-75	-78.3	0	0	0	107.7	E148	E148-Y151 HydrophobicContact CG-CE2 4.29Å
152	D	26.6	Very low	27	Very low	155 Å²	155	105 Å²	105	83%	0.829	57%	0.566	S	S	*	*			trans	-79.7	114.9	151.2	-156.4	0.7	0	0	0	104.9	M150	M150-D152 PolarHBondContact O-N 3.16Å
153	L	24.1	Very low	27.3	Very low	146 Å²	146	105.7 Å²	105.7	76%	0.764	55%	0.551	S	S	*	*			trans	-49.6	128.7	-177.8	-118.6	121.7	0	0	0	108.5	R155	L153-R155 PolarHBondContact O-N 2.66Å
154	P	25.6	Very low	27.5	Very low	103 Å²	103	107.9 Å²	107.9	67%	0.669	54%	0.541	S	S	*	.			trans	-62.3	99.3	-164.4	25.4	-34.3	0	0	0	110.2	D156	P154-D156 PolarHBondContact O-N 3.49Å
155	R	26.5	Very low	27.8	Very low	212 Å²	212	109.4 Å²	109.4	80%	0.8	55%	0.545	S	S	*	.			trans	-91.6	95	161.8	-73.8	-169.6	-176.1	-161.2	2.5	106.8	L153 W157	L153-R155 PolarHBondContact O-N 2.66Å; R155-W157 PolarHBondContact O-N 3.24Å
156	D	24.3	Very low	28.1	Very low	152 Å²	152	111.4 Å²	111.4	81%	0.813	55%	0.553	S	S	*	*			trans	-62.5	56.6	172.9	-74.4	-40.8	0	0	0	112.8	P154	P154-D156 PolarHBondContact O-N 3.49Å
157	W	23.7	Very low	28.3	Very low	204 Å²	204	115.7 Å²	115.7	77%	0.773	57%	0.565	S	S	*	*			trans	-122.4	115.2	170.6	-66.4	-29.3	0	0	0	110.6	R155 I159	R155-W157 PolarHBondContact O-N 3.24Å; W157-I159 PolarHBondContact O-N 2.74Å
158	K	25.8	Very low	28.6	Very low	215 Å²	215	116 Å²	116	94%	0.935	56%	0.564	S	S	*	*			trans	-60.4	94.7	171.5	-167.1	178.1	-175	179.4	0	108.7	S160	K158-S160 PolarHBondContact O-N 3.44Å
159	I	26.3	Very low	28.6	Very low	83 Å²	83	117.8 Å²	117.8	43%	0.426	58%	0.576	S	S	.	*			trans	-61.4	131	178.1	-56.4	175.6	0	0	0	108.5	W157 E163	W157-I159 PolarHBondContact O-N 2.74Å; I159-E163 HydrophobicContact CG2-CB 3.66Å; I159-E163 HydrophobicContact CG2-CG 3.88Å
160	S	30.9	Very low	28.7	Very low	63 Å²	63	122.1 Å²	122.1	44%	0.441	59%	0.593	S	S	.	*			trans	-65.9	148.9	178.3	74.6	0	0	0	0	111	K158 T162 E163 M164	K158-S160 PolarHBondContact O-N 3.44Å; S160-T162 PolarHBondContact O-N 3.47Å; S160-T162 VanDerWaalsContact O-N 3.09Å; S160-E163 PolarHBondContact O-N 2.76Å; S160-E163 PolarHBondContact OG-N 2.97Å; S160-M164 PolarHBondContact O-N 3.23Å; S160-M164 VanDerWaalsContact O-N 3.15Å
161	T	32.3	Very low	28.6	Very low	120 Å²	120	121.8 Å²	121.8	74%	0.736	60%	0.598	S	S	*	*	H	α-helix	trans	-52.7	-33.1	177.9	15.2	0	0	0	0	113.1	Q165	T161-Q165 PolarHBondContact O-N 2.9Å; T161-Q165 VanDerWaalsContact O-N 3.15Å
162	T	36.3	Very low	28.6	Very low	105 Å²	105	123.7 Å²	123.7	64%	0.644	61%	0.61	S	S	*	*	H	α-helix	trans	-65.9	-43.9	178.2	-37.7	0	0	0	0	111.6	S160 Q165 D166	S160-T162 PolarHBondContact O-N 3.47Å; S160-T162 VanDerWaalsContact O-N 3.09Å; T162-Q165 PolarHBondContact O-N 2.82Å; T162-D166 PolarHBondContact O-N 3.07Å; T162-D166 VanDerWaalsContact O-N 3.11Å
163	E	32.2	Very low	28.6	Very low	82 Å²	82	123.5 Å²	123.5	38%	0.383	61%	0.608	S	S	.	*	H	α-helix	trans	-72.1	-33	-179.1	-169.6	-176.5	165.5	0	0	112.1	I159 S160 D166 R167	I159-E163 HydrophobicContact CG2-CB 3.66Å; I159-E163 HydrophobicContact CG2-CG 3.88Å; S160-E163 PolarHBondContact O-N 2.76Å; S160-E163 PolarHBondContact OG-N 2.97Å; E163-D166 PolarHBondContact O-N 3.16Å; E163-R167 WeakPolarHBondContact O-CG 3.24Å; E163-R167 PolarHBondContact O-N 3.37Å; E163-R167 IonicContact OE1-CZ 3.64Å; E163-R167 IonicContact OE1-NE 3.45Å; E163-R167 IonicContact OE1-NH2 3.9Å; E163-R167 PolarHBondContact OE1-NH2 2.82Å
164	M	29.8	Very low	28.7	Very low	126 Å²	126	122.1 Å²	122.1	62%	0.621	60%	0.602	S	S	*	*	H	α-helix	trans	-65.1	-41.2	172.2	-169.1	172.9	-172.6	0	0	111.8	S160 D166 R167 V168	S160-M164 PolarHBondContact O-N 3.23Å; S160-M164 VanDerWaalsContact O-N 3.15Å; M164-D166 VanDerWaalsContact C-N 3.32Å; M164-D166 PolarHBondContact O-N 2.75Å; M164-R167 PolarHBondContact O-N 3.39Å; M164-V168 WeakPolarHBondContact O-CG2 3.32Å; M164-V168 PolarHBondContact O-N 3.34Å
165	Q	32.3	Very low	28.9	Very low	83 Å²	83	121.4 Å²	121.4	39%	0.388	59%	0.591	S	S	.	*	H	α-helix	trans	-63	-41.2	176.8	-153.2	77.8	28.8	0	0	111.2	T161 T162 V168 N169	T161-Q165 PolarHBondContact O-N 2.9Å; T161-Q165 VanDerWaalsContact O-N 3.15Å; T162-Q165 PolarHBondContact O-N 2.82Å; Q165-V168 PolarHBondContact O-N 3.36Å; Q165-N169 WeakPolarHBondContact O-CB 3.42Å; Q165-N169 VanDerWaalsContact O-CG 3.22Å; Q165-N169 PolarHBondContact O-N 3.01Å; Q165-N169 PolarHBondContact O-ND2 2.97Å
166	D	35.8	Very low	29.1	Very low	78 Å²	78	115.8 Å²	115.8	42%	0.417	58%	0.582	S	S	.	*	H	α-helix	trans	-63.7	-37.8	175.1	-104.9	24.5	0	0	0	113.1	T162 E163 M164 R170	T162-D166 PolarHBondContact O-N 3.07Å; T162-D166 VanDerWaalsContact O-N 3.11Å; E163-D166 PolarHBondContact O-N 3.16Å; M164-D166 VanDerWaalsContact C-N 3.32Å; M164-D166 PolarHBondContact O-N 2.75Å; D166-R170 WeakPolarHBondContact O-CB 3.19Å; D166-R170 WeakPolarHBondContact O-CG 3.38Å; D166-R170 PolarHBondContact O-N 2.78Å; D166-R170 PolarHBondContact O-NE 3.19Å; D166-R170 IonicContact OD2-NH2 3.65Å; D166-R170 PolarHBondContact OD2-NH2 2.97Å
167	R	29.7	Very low	29.5	Very low	132 Å²	132	111 Å²	111	50%	0.498	56%	0.564	S	S	.	*	H	α-helix	trans	-70.8	-40.3	176.2	-73.6	-177.8	-171.5	-159.8	6.1	112	E163 M164 R170 A171	E163-R167 WeakPolarHBondContact O-CG 3.24Å; E163-R167 PolarHBondContact O-N 3.37Å; E163-R167 IonicContact OE1-CZ 3.64Å; E163-R167 IonicContact OE1-NE 3.45Å; E163-R167 IonicContact OE1-NH2 3.9Å; E163-R167 PolarHBondContact OE1-NH2 2.82Å; M164-R167 PolarHBondContact O-N 3.39Å; R167-R170 PolarHBondContact O-N 3.1Å; R167-A171 VanDerWaalsContact O-CB 3.32Å; R167-A171 WeakPolarHBondContact O-CB 3.41Å; R167-A171 PolarHBondContact O-N 3.18Å
168	V	30	Very low	30	Very low	64 Å²	64	104.1 Å²	104.1	39%	0.388	54%	0.544	S	S	.	.	H	α-helix	trans	-64.2	-42.9	174.6	171.2	0	0	0	0	111.1	M164 Q165 R170 A171 F172	M164-V168 WeakPolarHBondContact O-CG2 3.32Å; M164-V168 PolarHBondContact O-N 3.34Å; Q165-V168 PolarHBondContact O-N 3.36Å; V168-R170 VanDerWaalsContact C-N 3.25Å; V168-R170 PolarHBondContact O-N 3.36Å; V168-A171 PolarHBondContact O-N 3.35Å; V168-F172 PolarHBondContact O-N 2.88Å
169	N	29.7	Very low	30.4	Very low	105 Å²	105	98.3 Å²	98.3	56%	0.561	52%	0.523	S	S	*	.	H	α-helix	trans	-64.5	-31.5	176.1	-72.3	-16.8	0	0	0	112.1	Q165	Q165-N169 WeakPolarHBondContact O-CB 3.42Å; Q165-N169 VanDerWaalsContact O-CG 3.22Å; Q165-N169 PolarHBondContact O-N 3.01Å; Q165-N169 PolarHBondContact O-ND2 2.97Å
170	R	27.9	Very low	30.6	Very low	145 Å²	145	99 Å²	99	55%	0.547	53%	0.528	S	S	.	.	H	α-helix	trans	-77.5	-37.5	173.3	-77.9	-177.3	-104	-171.9	-9.5	113	D166 R167 V168 F172 L173 N174	D166-R170 WeakPolarHBondContact O-CB 3.19Å; D166-R170 WeakPolarHBondContact O-CG 3.38Å; D166-R170 PolarHBondContact O-N 2.78Å; D166-R170 PolarHBondContact O-NE 3.19Å; D166-R170 IonicContact OD2-NH2 3.65Å; D166-R170 PolarHBondContact OD2-NH2 2.97Å; R167-R170 PolarHBondContact O-N 3.1Å; V168-R170 VanDerWaalsContact C-N 3.25Å; V168-R170 PolarHBondContact O-N 3.36Å; R170-F172 VanDerWaalsContact C-N 3.34Å; R170-F172 PolarHBondContact O-N 3.42Å; R170-L173 PolarHBondContact O-N 3.26Å; R170-L173 VanDerWaalsContact O-N 3.13Å; R170-N174 PolarHBondContact O-N 3.22Å
171	A	26.6	Very low	30.7	Very low	49 Å²	49	96.4 Å²	96.4	41%	0.405	51%	0.509	S	S	.	.	H	α-helix	trans	-65.4	-31.7	-174.3	0	0	0	0	0	113.8	R167 V168 L173	R167-A171 VanDerWaalsContact O-CB 3.32Å; R167-A171 WeakPolarHBondContact O-CB 3.41Å; R167-A171 PolarHBondContact O-N 3.18Å; V168-A171 PolarHBondContact O-N 3.35Å; A171-L173 PolarHBondContact O-N 3.13Å
172	F	25.2	Very low	30.6	Very low	176 Å²	176	92.2 Å²	92.2	77%	0.772	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-16.5	176	-94	-80.5	0	0	0	114	V168 R170	V168-F172 PolarHBondContact O-N 2.88Å; R170-F172 VanDerWaalsContact C-N 3.34Å; R170-F172 PolarHBondContact O-N 3.42Å
173	L	26.5	Very low	30.6	Very low	150 Å²	150	87.2 Å²	87.2	79%	0.785	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.4	-15.5	-178.9	-72.3	170.6	0	0	0	114.3	R170 A171	R170-L173 PolarHBondContact O-N 3.26Å; R170-L173 VanDerWaalsContact O-N 3.13Å; A171-L173 PolarHBondContact O-N 3.13Å
174	N	26.4	Very low	30.6	Very low	118 Å²	118	83.7 Å²	83.7	63%	0.631	44%	0.436	S	S	*	.			trans	-143.7	88.3	175.8	-70.7	-49.9	0	0	0	106.8	R170 P176	R170-N174 PolarHBondContact O-N 3.22Å; N174-P176 WeakPolarHBondContact O-CD 3.49Å
175	I	29	Very low	30.6	Very low	87 Å²	87	78.5 Å²	78.5	45%	0.446	41%	0.411	S	S	.	.			trans	-51.5	110	159.9	-61.4	169.4	0	0	0	104	A177	I175-A177 PolarHBondContact O-N 3.14Å
176	P	31.3	Very low	30.6	Very low	95 Å²	95	76.7 Å²	76.7	62%	0.617	40%	0.402	S	S	*	.			trans	-59.4	115.6	175.5	23.9	-28.4	0	0	0	103.9	N174 V178	N174-P176 WeakPolarHBondContact O-CD 3.49Å; P176-V178 VanDerWaalsContact C-N 3.27Å; P176-V178 WeakPolarHBondContact O-CG2 3.19Å; P176-V178 PolarHBondContact O-N 3.1Å
177	A	31.4	Very low	30.4	Very low	51 Å²	51	74.7 Å²	74.7	42%	0.421	40%	0.397	S	S	.	.			trans	-49.9	103.8	176.1	0	0	0	0	0	105.7	I175 N179	I175-A177 PolarHBondContact O-N 3.14Å; A177-N179 PolarHBondContact O-N 3.39Å
178	V	34.6	Very low	30.3	Very low	59 Å²	59	70.1 Å²	70.1	36%	0.358	38%	0.383	S	S	.	.			trans	-70	95	174.5	-179.7	0	0	0	0	101.5	P176 D180 L181 V237	P176-V178 VanDerWaalsContact C-N 3.27Å; P176-V178 WeakPolarHBondContact O-CG2 3.19Å; P176-V178 PolarHBondContact O-N 3.1Å; V178-D180 WeakPolarHBondContact CG1-O 3.26Å; V178-D180 PolarHBondContact O-N 3.01Å; V178-D180 VanDerWaalsContact O-N 3.11Å; V178-L181 HydrophobicContact CB-CD1 4.37Å; V178-L181 HydrophobicContact CG1-CB 4.29Å; V178-L181 HydrophobicContact CG1-CD1 4.01Å; V178-L181 HydrophobicContact CG1-CG 4.31Å; V178-V237 WeakPolarHBondContact O-CA 3.49Å
179	N	34.2	Very low	30.2	Very low	94 Å²	94	74.8 Å²	74.8	50%	0.503	39%	0.394	S	S	.	.	S	Bend	trans	-53.4	-38.2	-170.7	-80.6	-22.6	0	0	0	109.1	A177 K238 G239	A177-N179 PolarHBondContact O-N 3.39Å; N179-K238 WeakPolarHBondContact O-CB 3.2Å; N179-K238 PolarHBondContact O-N 2.88Å; N179-G239 PolarHBondContact O-N 3.5Å
180	D	30.6	Very low	30.2	Very low	97 Å²	97	72.2 Å²	72.2	52%	0.519	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	129.1	-178.6	-49.6	-59.7	0	0	0	111.2	V178 G239 I241	V178-D180 WeakPolarHBondContact CG1-O 3.26Å; V178-D180 PolarHBondContact O-N 3.01Å; V178-D180 VanDerWaalsContact O-N 3.11Å; D180-G239 WeakPolarHBondContact CA-O 3.45Å; D180-I241 HydrophobicContact CB-CD1 3.46Å; D180-I241 VanDerWaalsContact CB-CD1 3.46Å; D180-I241 HydrophobicContact CB-CG1 3.88Å
181	L	33.6	Very low	30.2	Very low	8 Å²	8	68.6 Å²	68.6	4%	0.042	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	117	177.4	-146.8	146.2	0	0	0	106.9	L133 M150 V178 I183 V237 G239 I241	L133-L181 HydrophobicContact CD2-CD1 4.2Å; M150-L181 HydrophobicContact CE-CD1 3.66Å; M150-L181 HydrophobicContact CE-CD2 3.83Å; M150-L181 HydrophobicContact CE-CG 4.03Å; M150-L181 HydrophobicContact CG-CD2 4.19Å; V178-L181 HydrophobicContact CB-CD1 4.37Å; V178-L181 HydrophobicContact CG1-CB 4.29Å; V178-L181 HydrophobicContact CG1-CD1 4.01Å; V178-L181 HydrophobicContact CG1-CG 4.31Å; L181-I183 VanDerWaalsContact C-N 3.34Å; L181-I183 HydrophobicContact CB-CG1 4.43Å; L181-I183 HydrophobicContact CD2-CD1 3.99Å; L181-I183 HydrophobicContact CD2-CG1 3.41Å; L181-I183 VanDerWaalsContact CD2-CG1 3.41Å; L181-I183 PolarHBondContact O-N 2.73Å; L181-V237 HydrophobicContact CB-CG1 3.54Å; L181-V237 HydrophobicContact CB-CG2 4.41Å; L181-V237 HydrophobicContact CD1-CG1 4.42Å; L181-V237 HydrophobicContact CD1-CG2 3.76Å; L181-G239 PolarHBondContact N-O 3.32Å; L181-I241 PolarHBondContact O-N 3Å
182	I	30.2	Very low	30.2	Very low	32 Å²	32	70.1 Å²	70.1	16%	0.164	37%	0.373	C	S	.	.			trans	-73.5	92.1	175	-57.5	159.1	0	0	0	107.1	W149 A184 I241 V246	W149-I182 CarbonylContact C-O 3.42Å; I182-A184 PolarHBondContact O-N 3.08Å; I182-I241 HydrophobicContact CB-CB 4.28Å; I182-I241 HydrophobicContact CD1-CD1 4.43Å; I182-I241 HydrophobicContact CG1-CB 3.64Å; I182-I241 HydrophobicContact CG1-CD1 3.62Å; I182-I241 HydrophobicContact CG1-CG1 4.21Å; I182-I241 HydrophobicContact CG1-CG2 3.8Å; I182-V246 HydrophobicContact CD1-CG2 3.88Å; I182-V246 HydrophobicContact CG1-CG2 4.47Å; I182-V246 HydrophobicContact CG2-CG2 4.37Å
183	I	36.4	Very low	30.3	Very low	0 Å²	0	64.5 Å²	64.5	0%	0	37%	0.365	C	S	.	.			trans	-92.3	95.8	171.9	-58.3	170.5	0	0	0	105.3	W149 L181 P185 W225 L232 I240	W149-I183 HydrophobicContact CD2-CG2 4.16Å; W149-I183 HydrophobicContact CE3-CG1 4.5Å; W149-I183 HydrophobicContact CE3-CG2 3.82Å; W149-I183 HydrophobicContact CH2-CG2 3.75Å; W149-I183 HydrophobicContact CZ2-CG2 4.07Å; W149-I183 HydrophobicContact CZ3-CG2 3.61Å; L181-I183 VanDerWaalsContact C-N 3.34Å; L181-I183 HydrophobicContact CB-CG1 4.43Å; L181-I183 HydrophobicContact CD2-CD1 3.99Å; L181-I183 HydrophobicContact CD2-CG1 3.41Å; L181-I183 VanDerWaalsContact CD2-CG1 3.41Å; L181-I183 PolarHBondContact O-N 2.73Å; I183-P185 VanDerWaalsContact O-CD 3.23Å; I183-P185 WeakPolarHBondContact O-CD 3.12Å; I183-W225 HydrophobicContact CG2-CH2 3.74Å; I183-W225 HydrophobicContact CG2-CZ3 4.22Å; I183-L232 HydrophobicContact CD1-CD1 3.16Å; I183-L232 HydrophobicContact CD1-CD2 3.91Å; I183-L232 HydrophobicContact CD1-CG 4.08Å; I183-I240 HydrophobicContact CB-CG2 4.14Å; I183-I240 HydrophobicContact CD1-CG1 4.42Å
184	A	30.6	Very low	30.4	Very low	8 Å²	8	59.7 Å²	59.7	7%	0.066	34%	0.343	C	S	.	.			trans	-44.4	109.4	170.2	0	0	0	0	0	107.5	E148 I182 K186 E243	E148-A184 HydrophobicContact CB-CB 3.8Å; I182-A184 PolarHBondContact O-N 3.08Å; A184-K186 PolarHBondContact O-N 3.23Å; A184-E243 HydrophobicContact CB-CG 4.5Å
185	P	30.9	Very low	30.6	Very low	17 Å²	17	58 Å²	58	11%	0.11	35%	0.345	C	S	.	.			trans	-77.7	91.7	-165.3	30.5	-34.7	0	0	0	106.6	I183 A187 V188 L254	I183-P185 VanDerWaalsContact O-CD 3.23Å; I183-P185 WeakPolarHBondContact O-CD 3.12Å; P185-A187 PolarHBondContact O-N 3.34Å; P185-V188 PolarHBondContact O-N 2.91Å; P185-V188 VanDerWaalsContact O-N 3.16Å; P185-L254 HydrophobicContact CB-CD1 3.15Å; P185-L254 HydrophobicContact CG-CD1 3.08Å
186	K	32.5	Very low	30.7	Very low	46 Å²	46	55.8 Å²	55.8	20%	0.2	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-11.4	176	-97.9	-147	171.5	-171.9	0	112.2	P145 A184 V188 W189 W190	P145-K186 HydrophobicContact CB-CD 3.74Å; P145-K186 VanDerWaalsContact CB-CE 3.47Å; P145-K186 VanDerWaalsContact CB-NZ 3.31Å; P145-K186 HydrophobicContact CG-CD 4.09Å; A184-K186 PolarHBondContact O-N 3.23Å; K186-V188 CarbonylContact O-C 3.19Å; K186-V188 PolarHBondContact O-N 3.46Å; K186-W189 HydrophobicContact CB-CB 4.5Å; K186-W189 HydrophobicContact CD-CB 4.35Å; K186-W189 HydrophobicContact CG-CB 4.18Å; K186-W189 CarbonylContact O-C 3.55Å; K186-W189 VanDerWaalsContact O-CA 3.27Å; K186-W189 WeakPolarHBondContact O-CA 2.98Å; K186-W189 WeakPolarHBondContact O-CB 3.48Å; K186-W189 PolarHBondContact O-N 3.3Å; K186-W190 VanDerWaalsContact C-CD1 3.43Å; K186-W190 PolarHBondContact O-N 3.29Å
187	A	31.2	Very low	30.5	Very low	36 Å²	36	54.4 Å²	54.4	30%	0.298	32%	0.322	S	S	.	.	H	α-helix	trans	-41.5	-38.4	167.3	0	0	0	0	0	113.6	P185 W190 C191 L254	P185-A187 PolarHBondContact O-N 3.34Å; A187-W190 PolarHBondContact O-N 3.37Å; A187-C191 PolarHBondContact O-N 3.08Å; A187-C191 VanDerWaalsContact O-N 3.12Å; A187-L254 HydrophobicContact CB-CD1 4.34Å; A187-L254 HydrophobicContact CB-CD2 3.66Å
188	V	27.8	Very low	30.5	Very low	35 Å²	35	61.8 Å²	61.8	21%	0.212	34%	0.339	C	S	.	.	H	α-helix	trans	-68.1	-40.8	173.9	-178	0	0	0	0	112.3	P185 K186 W190 C191 I192 L254	P185-V188 PolarHBondContact O-N 2.91Å; P185-V188 VanDerWaalsContact O-N 3.16Å; K186-V188 CarbonylContact O-C 3.19Å; K186-V188 PolarHBondContact O-N 3.46Å; V188-W190 VanDerWaalsContact C-N 3.32Å; V188-W190 PolarHBondContact O-N 3.08Å; V188-C191 WeakPolarHBondContact O-CB 3.46Å; V188-C191 PolarHBondContact O-N 2.84Å; V188-I192 HydrophobicContact CG1-CD1 3.75Å; V188-I192 HydrophobicContact CG1-CG1 4.48Å; V188-I192 WeakPolarHBondContact O-CB 3.27Å; V188-I192 VanDerWaalsContact O-CG1 3.29Å; V188-I192 WeakPolarHBondContact O-CG1 3.19Å; V188-I192 PolarHBondContact O-N 3.22Å; V188-L254 HydrophobicContact CG2-CD1 4.07Å; V188-L254 HydrophobicContact CG2-CD2 4.49Å; V188-L254 HydrophobicContact CG2-CG 4.05Å
189	W	27.6	Very low	30.5	Very low	162 Å²	162	66.8 Å²	66.8	61%	0.614	36%	0.364	S	S	*	.	H	α-helix	trans	-72	-18.7	170.9	-90.2	63.5	0	0	0	114.5	K186 C191 I192 G193	K186-W189 HydrophobicContact CB-CB 4.5Å; K186-W189 HydrophobicContact CD-CB 4.35Å; K186-W189 HydrophobicContact CG-CB 4.18Å; K186-W189 CarbonylContact O-C 3.55Å; K186-W189 VanDerWaalsContact O-CA 3.27Å; K186-W189 WeakPolarHBondContact O-CA 2.98Å; K186-W189 WeakPolarHBondContact O-CB 3.48Å; K186-W189 PolarHBondContact O-N 3.3Å; W189-C191 VanDerWaalsContact C-N 3.34Å; W189-I192 PolarHBondContact O-N 3Å; W189-G193 WeakPolarHBondContact O-CA 3.44Å; W189-G193 PolarHBondContact O-N 3.1Å
190	W	30.2	Very low	30.3	Very low	52 Å²	52	63.1 Å²	63.1	20%	0.197	35%	0.345	C	S	.	.	H	α-helix	trans	-77.5	-30.4	171	-64.7	43.7	0	0	0	108.5	Y125 K186 A187 V188 C194 V221	Y125-W190 HydrophobicContact CE2-CH2 4.3Å; K186-W190 VanDerWaalsContact C-CD1 3.43Å; K186-W190 PolarHBondContact O-N 3.29Å; A187-W190 PolarHBondContact O-N 3.37Å; V188-W190 VanDerWaalsContact C-N 3.32Å; V188-W190 PolarHBondContact O-N 3.08Å; W190-C194 WeakPolarHBondContact O-CB 3.48Å; W190-C194 PolarHBondContact O-N 3.04Å; W190-C194 VanDerWaalsContact O-N 3.16Å; W190-C194 PolarHBondContact O-SG 2.95Å; W190-V221 HydrophobicContact CD2-CG1 3.62Å; W190-V221 HydrophobicContact CE3-CB 3.57Å; W190-V221 HydrophobicContact CE3-CG1 2.98Å; W190-V221 HydrophobicContact CE3-CG2 3.34Å; W190-V221 HydrophobicContact CG-CG1 4.36Å; W190-V221 HydrophobicContact CH2-CB 4.39Å; W190-V221 HydrophobicContact CH2-CG1 4.07Å; W190-V221 HydrophobicContact CZ3-CB 3.43Å; W190-V221 VanDerWaalsContact CZ3-CB 3.43Å; W190-V221 HydrophobicContact CZ3-CG1 3.24Å; W190-V221 HydrophobicContact CZ3-CG2 3.27Å
191	C	28.5	Very low	30.3	Very low	69 Å²	69	62.2 Å²	62.2	47%	0.466	34%	0.344	S	S	.	.	H	α-helix	trans	-68.3	-38.1	162.9	-90.3	0	0	0	0	113.8	A187 V188 W189 L196 N197	A187-C191 PolarHBondContact O-N 3.08Å; A187-C191 VanDerWaalsContact O-N 3.12Å; V188-C191 WeakPolarHBondContact O-CB 3.46Å; V188-C191 PolarHBondContact O-N 2.84Å; W189-C191 VanDerWaalsContact C-N 3.34Å; C191-L196 CarbonylContact O-C 3.53Å; C191-L196 WeakPolarHBondContact O-CB 3.04Å; C191-N197 WeakPolarHBondContact O-CA 3.39Å; C191-N197 PolarHBondContact O-N 3.35Å
192	I	26.1	Very low	30.4	Very low	80 Å²	80	65.3 Å²	65.3	41%	0.41	36%	0.361	S	S	.	.	H	α-helix	trans	-90.6	-24.4	-172.9	-66.1	174.9	0	0	0	113	V188 W189 N197	V188-I192 HydrophobicContact CG1-CD1 3.75Å; V188-I192 HydrophobicContact CG1-CG1 4.48Å; V188-I192 WeakPolarHBondContact O-CB 3.27Å; V188-I192 VanDerWaalsContact O-CG1 3.29Å; V188-I192 WeakPolarHBondContact O-CG1 3.19Å; V188-I192 PolarHBondContact O-N 3.22Å; W189-I192 PolarHBondContact O-N 3Å; I192-N197 WeakPolarHBondContact CG2-ND2 3.23Å; I192-N197 WeakPolarHBondContact O-CB 3.35Å; I192-N197 VanDerWaalsContact O-CG 3.25Å; I192-N197 PolarHBondContact O-ND2 2.88Å
193	G	27.9	Very low	30.4	Very low	59 Å²	59	69.1 Å²	69.1	61%	0.608	38%	0.38	S	S	*	.	H	α-helix	trans	-112.2	-26.2	-174.8	0	0	0	0	0	114.1	W189	W189-G193 WeakPolarHBondContact O-CA 3.44Å; W189-G193 PolarHBondContact O-N 3.1Å
194	C	28.6	Very low	30.1	Very low	49 Å²	49	72.3 Å²	72.3	33%	0.331	40%	0.403	S	S	.	.	S	Bend	trans	-69.3	160.1	156.4	-55.4	0	0	0	0	107.2	W190 L196 N197	W190-C194 WeakPolarHBondContact O-CB 3.48Å; W190-C194 PolarHBondContact O-N 3.04Å; W190-C194 VanDerWaalsContact O-N 3.16Å; W190-C194 PolarHBondContact O-SG 2.95Å; C194-L196 HydrophobicContact CB-CD1 4.18Å; C194-L196 PolarHBondContact O-N 3.37Å; C194-N197 PolarHBondContact O-N 3.3Å
195	A	30.6	Very low	30.2	Very low	81 Å²	81	83.5 Å²	83.5	67%	0.669	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	46	172.6	0	0	0	0	0	111.7	S200 L202	A195-S200 VanDerWaalsContact C-CB 3.47Å; A195-S200 WeakPolarHBondContact O-CB 3.41Å; A195-S200 PolarHBondContact O-OG 3.2Å; A195-L202 WeakPolarHBondContact O-CD1 3.24Å
196	L	29.8	Very low	30.5	Very low	41 Å²	41	85.7 Å²	85.7	22%	0.215	45%	0.454	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.7	-12.6	169.3	-80.6	160.3	0	0	0	110.3	C191 C194 R198 L202	C191-L196 CarbonylContact O-C 3.53Å; C191-L196 WeakPolarHBondContact O-CB 3.04Å; C194-L196 HydrophobicContact CB-CD1 4.18Å; C194-L196 PolarHBondContact O-N 3.37Å; L196-R198 PolarHBondContact O-N 3.23Å; L196-L202 HydrophobicContact CD2-CB 3.75Å; L196-L202 HydrophobicContact CD2-CD1 3.29Å; L196-L202 HydrophobicContact CD2-CD2 4.29Å; L196-L202 HydrophobicContact CD2-CG 3.93Å; L196-L202 HydrophobicContact CG-CD1 3.8Å
197	N	26.5	Very low	30.3	Very low	67 Å²	67	85.2 Å²	85.2	36%	0.358	46%	0.461	S	S	.	.	S	Bend	trans	-76.7	116.4	-175	-158	6	0	0	0	111.7	C191 I192 C194 D199 S200	C191-N197 WeakPolarHBondContact O-CA 3.39Å; C191-N197 PolarHBondContact O-N 3.35Å; I192-N197 WeakPolarHBondContact CG2-ND2 3.23Å; I192-N197 WeakPolarHBondContact O-CB 3.35Å; I192-N197 VanDerWaalsContact O-CG 3.25Å; I192-N197 PolarHBondContact O-ND2 2.88Å; C194-N197 PolarHBondContact O-N 3.3Å; N197-D199 PolarHBondContact O-N 3.18Å; N197-S200 PolarHBondContact O-N 3.27Å
198	R	32.4	Very low	31	Very low	206 Å²	206	89.7 Å²	89.7	78%	0.777	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	37.1	-40.6	163.2	-76.8	-173.6	173.9	-179.7	-0.2	121.5	L196 I203	L196-R198 PolarHBondContact O-N 3.23Å; R198-I203 HydrophobicContact CG-CD1 4.05Å
199	D	34.9	Very low	31.5	Very low	164 Å²	164	95.3 Å²	95.3	88%	0.877	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.6	-5.7	171.7	-59.7	-36.3	0	0	0	112	N197	N197-D199 PolarHBondContact O-N 3.18Å
200	S	30	Very low	31.8	Very low	17 Å²	17	91.3 Å²	91.3	12%	0.119	53%	0.528	C	S	.	.	S	Bend	trans	-67	138.1	166.6	175.1	0	0	0	0	110.5	A195 N197 L202 I203	A195-S200 VanDerWaalsContact C-CB 3.47Å; A195-S200 WeakPolarHBondContact O-CB 3.41Å; A195-S200 PolarHBondContact O-OG 3.2Å; N197-S200 PolarHBondContact O-N 3.27Å; S200-L202 PolarHBondContact O-N 3.39Å; S200-L202 WeakPolarHBondContact OG-CD1 2.8Å; S200-L202 PolarHBondContact OG-N 2.88Å; S200-I203 PolarHBondContact O-N 2.96Å
201	P	29.8	Very low	32.1	Very low	77 Å²	77	93.1 Å²	93.1	50%	0.5	55%	0.545	S	S	.	.	G	3₁₀ helix	trans	-51.7	-18.2	176	-22.6	32.2	0	0	0	113.3	I203 S204 L206	P201-I203 VanDerWaalsContact C-N 3.27Å; P201-I203 PolarHBondContact O-N 3.42Å; P201-S204 CarbonylContact O-C 3.41Å; P201-S204 WeakPolarHBondContact O-CA 3.22Å; P201-S204 VanDerWaalsContact O-CB 3.29Å; P201-S204 WeakPolarHBondContact O-CB 3.39Å; P201-S204 PolarHBondContact O-N 3.44Å; P201-S204 PolarHBondContact O-OG 3.47Å; P201-L206 HydrophobicContact CB-CD1 4.19Å; P201-L206 HydrophobicContact CB-CD2 3.87Å; P201-L206 HydrophobicContact CB-CG 4.35Å; P201-L206 VanDerWaalsContact O-CD1 3.26Å; P201-L206 WeakPolarHBondContact O-CD1 3.49Å; P201-L206 WeakPolarHBondContact O-CG 3.34Å
202	L	36.9	Very low	32.5	Very low	74 Å²	74	93.8 Å²	93.8	39%	0.387	55%	0.55	S	S	.	*	G	3₁₀ helix	trans	-63.6	-20.9	-177.5	-68.8	156.6	0	0	0	115.2	A195 L196 S200 L206	A195-L202 WeakPolarHBondContact O-CD1 3.24Å; L196-L202 HydrophobicContact CD2-CB 3.75Å; L196-L202 HydrophobicContact CD2-CD1 3.29Å; L196-L202 HydrophobicContact CD2-CD2 4.29Å; L196-L202 HydrophobicContact CD2-CG 3.93Å; L196-L202 HydrophobicContact CG-CD1 3.8Å; S200-L202 PolarHBondContact O-N 3.39Å; S200-L202 WeakPolarHBondContact OG-CD1 2.8Å; S200-L202 PolarHBondContact OG-N 2.88Å; L202-L206 HydrophobicContact CB-CD1 4.48Å; L202-L206 HydrophobicContact CD2-CD1 3.8Å; L202-L206 HydrophobicContact CG-CD1 4.15Å
203	I	30.2	Very low	33.3	Very low	111 Å²	111	97.3 Å²	97.3	57%	0.569	57%	0.57	S	S	*	*	G	3₁₀ helix	trans	-97.8	-15.1	170.5	-48.4	-169.9	0	0	0	112.1	R198 S200 P201 R205	R198-I203 HydrophobicContact CG-CD1 4.05Å; S200-I203 PolarHBondContact O-N 2.96Å; P201-I203 VanDerWaalsContact C-N 3.27Å; P201-I203 PolarHBondContact O-N 3.42Å; I203-R205 PolarHBondContact O-N 2.9Å
204	S	29.5	Very low	34	Very low	67 Å²	67	98.7 Å²	98.7	47%	0.469	56%	0.563	S	S	.	*	S	Bend	trans	-64.5	135.1	160	91	0	0	0	0	106.2	P201 L206	P201-S204 CarbonylContact O-C 3.41Å; P201-S204 WeakPolarHBondContact O-CA 3.22Å; P201-S204 VanDerWaalsContact O-CB 3.29Å; P201-S204 WeakPolarHBondContact O-CB 3.39Å; P201-S204 PolarHBondContact O-N 3.44Å; P201-S204 PolarHBondContact O-OG 3.47Å; S204-L206 VanDerWaalsContact C-N 3.26Å; S204-L206 PolarHBondContact O-N 3.17Å
205	R	31.5	Very low	34.8	Very low	244 Å²	244	102.8 Å²	102.8	92%	0.921	58%	0.575	S	S	*	*			trans	-54.6	99.3	168.8	-76.8	-179.8	176.5	-178.2	-1.2	107.1	I203 G207	I203-R205 PolarHBondContact O-N 2.9Å; R205-G207 WeakPolarHBondContact O-CA 3.2Å; R205-G207 PolarHBondContact O-N 3.36Å
206	L	37.3	Very low	35.5	Very low	63 Å²	63	102.4 Å²	102.4	33%	0.33	57%	0.572	S	S	.	*			trans	-84.7	27.4	173.8	-75.1	169.5	0	0	0	110.5	P201 L202 S204 V211	P201-L206 HydrophobicContact CB-CD1 4.19Å; P201-L206 HydrophobicContact CB-CD2 3.87Å; P201-L206 HydrophobicContact CB-CG 4.35Å; P201-L206 VanDerWaalsContact O-CD1 3.26Å; P201-L206 WeakPolarHBondContact O-CD1 3.49Å; P201-L206 WeakPolarHBondContact O-CG 3.34Å; L202-L206 HydrophobicContact CB-CD1 4.48Å; L202-L206 HydrophobicContact CD2-CD1 3.8Å; L202-L206 HydrophobicContact CG-CD1 4.15Å; S204-L206 VanDerWaalsContact C-N 3.26Å; S204-L206 PolarHBondContact O-N 3.17Å; L206-V211 HydrophobicContact CD1-CG1 4.42Å; L206-V211 HydrophobicContact CD2-CB 3.86Å; L206-V211 HydrophobicContact CD2-CG1 3.87Å; L206-V211 HydrophobicContact CD2-CG2 3.55Å
207	G	29.4	Very low	36.2	Very low	35 Å²	35	107.1 Å²	107.1	36%	0.361	59%	0.593	S	S	.	*				48.5	87.6	74.6	0	0	0	0	0	113.1	R205 L209	R205-G207 WeakPolarHBondContact O-CA 3.2Å; R205-G207 PolarHBondContact O-N 3.36Å; G207-L209 PolarHBondContact O-N 3.02Å
208	S	46.2	Very low	37.1	Very low	130 Å²	130	106.5 Å²	106.5	91%	0.909	59%	0.592	S	S	*	*	S	Bend	trans	56.7	-1.2	150	54.7	0	0	0	0	120.3
209	L	38.2	Very low	37.8	Very low	153 Å²	153	98.1 Å²	98.1	80%	0.801	56%	0.562	S	S	*	*	S	Bend	trans	-123	13.3	-169.5	-75.8	162.8	0	0	0	115.6	G207	G207-L209 PolarHBondContact O-N 3.02Å
210	G	33.1	Very low	38.4	Very low	79 Å²	79	92.4 Å²	92.4	81%	0.814	53%	0.531	S	S	*	.			trans	74.5	50.5	163.9	0	0	0	0	0	116.4
211	V	37.1	Very low	39.2	Very low	90 Å²	90	93.3 Å²	93.3	55%	0.545	54%	0.536	S	S	.	.			trans	-91	152	-172	-177.7	0	0	0	0	114.2	L206	L206-V211 HydrophobicContact CD1-CG1 4.42Å; L206-V211 HydrophobicContact CD2-CB 3.86Å; L206-V211 HydrophobicContact CD2-CG1 3.87Å; L206-V211 HydrophobicContact CD2-CG2 3.55Å
212	S	36.1	Very low	40.1	Very low	83 Å²	83	91.2 Å²	91.2	58%	0.58	52%	0.52	S	S	*	.			trans	-106.3	147.5	-148.3	50.7	0	0	0	0	116.3	D214	S212-D214 PolarHBondContact O-N 2.96Å
213	N	43	Very low	40.7	Very low	153 Å²	153	87.7 Å²	87.7	82%	0.818	50%	0.502	S	S	*	.	S	Bend	trans	54	-9.3	145.3	-71.5	-5.2	0	0	0	125.2	F215	N213-F215 VanDerWaalsContact C-N 3.26Å; N213-F215 PolarHBondContact O-N 3.36Å
214	D	44	Very low	41.7	Very low	88 Å²	88	83.6 Å²	83.6	47%	0.471	48%	0.481	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	2	-176.7	-63.6	-14.8	0	0	0	114.5	S212 A216 E217 V218	S212-D214 PolarHBondContact O-N 2.96Å; D214-A216 VanDerWaalsContact C-N 3.27Å; D214-A216 PolarHBondContact O-N 2.86Å; D214-E217 PolarHBondContact O-N 3.44Å; D214-V218 PolarHBondContact O-N 2.81Å
215	F	44.7	Very low	42.8	Very low	135 Å²	135	83.1 Å²	83.1	59%	0.592	47%	0.468	S	S	*	.	H	α-helix	trans	-59.6	-36	-179.7	-170.6	-99.5	0	0	0	112.9	N213 V218 M219	N213-F215 VanDerWaalsContact C-N 3.26Å; N213-F215 PolarHBondContact O-N 3.36Å; F215-V218 PolarHBondContact O-N 3.44Å; F215-M219 HydrophobicContact CD1-CG 3.79Å; F215-M219 HydrophobicContact CE1-CG 3.45Å; F215-M219 VanDerWaalsContact CE1-CG 3.45Å; F215-M219 HydrophobicContact CE1-SD 3.93Å; F215-M219 HydrophobicContact CE2-CG 4.47Å; F215-M219 HydrophobicContact CE2-SD 4.32Å; F215-M219 HydrophobicContact CG-CG 4.45Å; F215-M219 HydrophobicContact CZ-CG 3.82Å; F215-M219 HydrophobicContact CZ-SD 3.7Å; F215-M219 WeakPolarHBondContact O-CB 3.33Å; F215-M219 VanDerWaalsContact O-CG 3.26Å; F215-M219 WeakPolarHBondContact O-CG 3.31Å; F215-M219 PolarHBondContact O-N 2.89Å
216	A	44.3	Very low	43.7	Very low	73 Å²	73	73 Å²	73	60%	0.603	44%	0.438	S	S	*	.	H	α-helix	trans	-66.2	-40.8	-178.4	0	0	0	0	0	112.2	D214 M219 D220	D214-A216 VanDerWaalsContact C-N 3.27Å; D214-A216 PolarHBondContact O-N 2.86Å; A216-M219 PolarHBondContact O-N 3.36Å; A216-D220 PolarHBondContact O-N 2.67Å; A216-D220 VanDerWaalsContact O-N 3.08Å
217	E	45.2	Very low	44.4	Very low	140 Å²	140	70 Å²	70	65%	0.654	42%	0.422	S	S	*	.	H	α-helix	trans	-66.9	-44.7	177.8	-66.8	-171.8	176.5	0	0	110.7	D214 M219 D220 V221	D214-E217 PolarHBondContact O-N 3.44Å; E217-M219 VanDerWaalsContact C-N 3.3Å; E217-M219 PolarHBondContact O-N 3.45Å; E217-D220 WeakPolarHBondContact O-CB 3.4Å; E217-D220 PolarHBondContact O-N 2.49Å; E217-D220 VanDerWaalsContact O-N 3.12Å; E217-V221 WeakPolarHBondContact O-CG2 3.48Å; E217-V221 PolarHBondContact O-N 3.27Å
218	V	44.9	Very low	45.6	Very low	55 Å²	55	68.6 Å²	68.6	33%	0.333	41%	0.406	S	S	.	.	H	α-helix	trans	-58.2	-42.8	175.6	174.9	0	0	0	0	111.5	D214 F215 D220 V221 I222	D214-V218 PolarHBondContact O-N 2.81Å; F215-V218 PolarHBondContact O-N 3.44Å; V218-D220 VanDerWaalsContact C-N 3.31Å; V218-D220 PolarHBondContact O-N 3.45Å; V218-V221 WeakPolarHBondContact O-CB 3.35Å; V218-V221 PolarHBondContact O-N 3.12Å; V218-I222 HydrophobicContact CG1-CD1 3.95Å; V218-I222 WeakPolarHBondContact O-CD1 3.49Å; V218-I222 VanDerWaalsContact O-CG1 3.28Å; V218-I222 WeakPolarHBondContact O-CG1 3.39Å; V218-I222 PolarHBondContact O-N 3.23Å
219	M	46.8	Very low	45.9	Very low	30 Å²	30	68.9 Å²	68.9	15%	0.148	39%	0.387	C	S	.	.	H	α-helix	trans	-64.1	-37.9	177.7	-72.7	-53.3	-44.3	0	0	112.5	F215 A216 E217 I222 G223 P268 H313	F215-M219 HydrophobicContact CD1-CG 3.79Å; F215-M219 HydrophobicContact CE1-CG 3.45Å; F215-M219 VanDerWaalsContact CE1-CG 3.45Å; F215-M219 HydrophobicContact CE1-SD 3.93Å; F215-M219 HydrophobicContact CE2-CG 4.47Å; F215-M219 HydrophobicContact CE2-SD 4.32Å; F215-M219 HydrophobicContact CG-CG 4.45Å; F215-M219 HydrophobicContact CZ-CG 3.82Å; F215-M219 HydrophobicContact CZ-SD 3.7Å; F215-M219 WeakPolarHBondContact O-CB 3.33Å; F215-M219 VanDerWaalsContact O-CG 3.26Å; F215-M219 WeakPolarHBondContact O-CG 3.31Å; F215-M219 PolarHBondContact O-N 2.89Å; A216-M219 PolarHBondContact O-N 3.36Å; E217-M219 VanDerWaalsContact C-N 3.3Å; E217-M219 PolarHBondContact O-N 3.45Å; M219-I222 PolarHBondContact O-N 2.76Å; M219-I222 HydrophobicContact SD-CD1 4.38Å; M219-G223 PolarHBondContact O-N 3.06Å; M219-P268 HydrophobicContact CE-CB 3.35Å; M219-P268 HydrophobicContact CE-CG 3.43Å; M219-P268 VanDerWaalsContact CE-CG 3.43Å; M219-P268 HydrophobicContact SD-CB 4.23Å; M219-H313 PolarHBondContact O-NE2 3.2Å
220	D	47.6	Very low	46.6	Very low	44 Å²	44	64.8 Å²	64.8	24%	0.235	36%	0.363	C	S	.	.	H	α-helix	trans	-63	-47	178	-174	41.9	0	0	0	112.5	A216 E217 V218 I222 G223 H224 Q315	A216-D220 PolarHBondContact O-N 2.67Å; A216-D220 VanDerWaalsContact O-N 3.08Å; E217-D220 WeakPolarHBondContact O-CB 3.4Å; E217-D220 PolarHBondContact O-N 2.49Å; E217-D220 VanDerWaalsContact O-N 3.12Å; V218-D220 VanDerWaalsContact C-N 3.31Å; V218-D220 PolarHBondContact O-N 3.45Å; D220-I222 VanDerWaalsContact C-N 3.32Å; D220-I222 PolarHBondContact O-N 3Å; D220-G223 PolarHBondContact O-N 3.33Å; D220-H224 VanDerWaalsContact CG-CE1 3.43Å; D220-H224 PolarHBondContact O-N 2.65Å; D220-H224 VanDerWaalsContact O-N 3.1Å; D220-H224 PolarHBondContact O-ND1 3.25Å; D220-H224 IonicContact OD1-CE1 3.65Å; D220-H224 PolarHBondContact OD1-CE1 3.08Å; D220-H224 IonicContact OD1-ND1 3.21Å; D220-H224 IonicContact OD1-NE2 2.86Å; D220-H224 PolarHBondContact OD1-NE2 3.45Å; D220-H224 IonicContact OD2-CE1 2.97Å; D220-H224 PolarHBondContact OD2-CE1 3.3Å; D220-H224 VanDerWaalsContact OD2-CE1 3.23Å; D220-H224 IonicContact OD2-ND1 2.73Å; D220-Q315 PolarHBondContact OD1-NE2 2.57Å; D220-Q315 PolarHBondContact OD1-OE1 2.94Å
221	V	48.2	Very low	47.6	Very low	36 Å²	36	61.1 Å²	61.1	22%	0.218	33%	0.325	C	S	.	.	H	α-helix	trans	-51.1	-51.2	173	165.7	0	0	0	0	111.8	W190 E217 V218 G223 H224 W225	W190-V221 HydrophobicContact CD2-CG1 3.62Å; W190-V221 HydrophobicContact CE3-CB 3.57Å; W190-V221 HydrophobicContact CE3-CG1 2.98Å; W190-V221 HydrophobicContact CE3-CG2 3.34Å; W190-V221 HydrophobicContact CG-CG1 4.36Å; W190-V221 HydrophobicContact CH2-CB 4.39Å; W190-V221 HydrophobicContact CH2-CG1 4.07Å; W190-V221 HydrophobicContact CZ3-CB 3.43Å; W190-V221 VanDerWaalsContact CZ3-CB 3.43Å; W190-V221 HydrophobicContact CZ3-CG1 3.24Å; W190-V221 HydrophobicContact CZ3-CG2 3.27Å; E217-V221 WeakPolarHBondContact O-CG2 3.48Å; E217-V221 PolarHBondContact O-N 3.27Å; V218-V221 WeakPolarHBondContact O-CB 3.35Å; V218-V221 PolarHBondContact O-N 3.12Å; V221-G223 VanDerWaalsContact C-N 3.26Å; V221-G223 PolarHBondContact O-N 3.23Å; V221-H224 PolarHBondContact O-N 3.12Å; V221-W225 PolarHBondContact O-N 3.35Å
222	I	48.2	Very low	48.4	Very low	32 Å²	32	57.2 Å²	57.2	16%	0.164	30%	0.301	C	S	.	.	H	α-helix	trans	-60.7	-40.8	-176.5	-69.8	167	0	0	0	110.3	V218 M219 D220 W225 A226 F264	V218-I222 HydrophobicContact CG1-CD1 3.95Å; V218-I222 WeakPolarHBondContact O-CD1 3.49Å; V218-I222 VanDerWaalsContact O-CG1 3.28Å; V218-I222 WeakPolarHBondContact O-CG1 3.39Å; V218-I222 PolarHBondContact O-N 3.23Å; M219-I222 PolarHBondContact O-N 2.76Å; M219-I222 HydrophobicContact SD-CD1 4.38Å; D220-I222 VanDerWaalsContact C-N 3.32Å; D220-I222 PolarHBondContact O-N 3Å; I222-W225 PolarHBondContact O-N 3.41Å; I222-A226 PolarHBondContact O-N 2.89Å; I222-F264 HydrophobicContact CD1-CE1 4.44Å; I222-F264 HydrophobicContact CG1-CD1 4.44Å; I222-F264 HydrophobicContact CG1-CE1 3.96Å; I222-F264 HydrophobicContact CG2-CD1 4.49Å
223	G	49.3	Very low	49.1	Very low	1 Å²	1	57 Å²	57	1%	0.01	30%	0.299	C	S	.	.	H	α-helix	trans	-63.4	-46.5	177.6	0	0	0	0	0	116.5	M219 D220 V221 W225 A226 S227 H313	M219-G223 PolarHBondContact O-N 3.06Å; D220-G223 PolarHBondContact O-N 3.33Å; V221-G223 VanDerWaalsContact C-N 3.26Å; V221-G223 PolarHBondContact O-N 3.23Å; G223-W225 PolarHBondContact O-N 2.99Å; G223-A226 PolarHBondContact O-N 3.47Å; G223-S227 WeakPolarHBondContact O-CB 2.89Å; G223-S227 PolarHBondContact O-N 3Å; G223-S227 VanDerWaalsContact O-N 3.08Å; G223-S227 PolarHBondContact O-OG 3.18Å; G223-H313 WeakPolarHBondContact CA-CD2 3.46Å; G223-H313 VanDerWaalsContact CA-CE1 3.41Å; G223-H313 WeakPolarHBondContact CA-CE1 3.29Å; G223-H313 WeakPolarHBondContact CA-ND1 3.44Å; G223-H313 WeakPolarHBondContact CA-NE2 3.26Å
224	H	52.2	Low	49.4	Very low	25 Å²	25	55.5 Å²	55.5	12%	0.116	29%	0.29	C	S	.	.	H	α-helix	trans	-57.4	-39.5	175	-69.1	152.9	0	0	0	111.3	D123 Y125 D220 V221 T228	D123-H224 WeakPolarHBondContact CB-CD2 3.4Å; Y125-H224 HydrophobicContact CD2-CB 3.66Å; Y125-H224 AromaticContact CD2-CG 3.68Å; Y125-H224 AromaticContact CD2-ND1 3.89Å; Y125-H224 HydrophobicContact CE2-CB 4.24Å; Y125-H224 AromaticContact CE2-ND1 3.75Å; Y125-H224 HydrophobicContact CG-CB 4.41Å; D220-H224 VanDerWaalsContact CG-CE1 3.43Å; D220-H224 PolarHBondContact O-N 2.65Å; D220-H224 VanDerWaalsContact O-N 3.1Å; D220-H224 PolarHBondContact O-ND1 3.25Å; D220-H224 IonicContact OD1-CE1 3.65Å; D220-H224 PolarHBondContact OD1-CE1 3.08Å; D220-H224 IonicContact OD1-ND1 3.21Å; D220-H224 IonicContact OD1-NE2 2.86Å; D220-H224 PolarHBondContact OD1-NE2 3.45Å; D220-H224 IonicContact OD2-CE1 2.97Å; D220-H224 PolarHBondContact OD2-CE1 3.3Å; D220-H224 VanDerWaalsContact OD2-CE1 3.23Å; D220-H224 IonicContact OD2-ND1 2.73Å; V221-H224 PolarHBondContact O-N 3.12Å; H224-T228 WeakPolarHBondContact O-CB 3.43Å; H224-T228 PolarHBondContact O-N 3.38Å; H224-T228 PolarHBondContact O-OG1 2.62Å
225	W	52.3	Low	49.8	Very low	56 Å²	56	51.6 Å²	51.6	21%	0.212	27%	0.271	C	S	.	.	H	α-helix	trans	-68.5	-47.9	176.8	-174.7	-118.3	0	0	0	113.3	W149 I183 V221 I222 G223 S227 T228 R229	W149-W225 HydrophobicContact CH2-CZ3 4.17Å; I183-W225 HydrophobicContact CG2-CH2 3.74Å; I183-W225 HydrophobicContact CG2-CZ3 4.22Å; V221-W225 PolarHBondContact O-N 3.35Å; I222-W225 PolarHBondContact O-N 3.41Å; G223-W225 PolarHBondContact O-N 2.99Å; W225-S227 PolarHBondContact O-N 3.04Å; W225-T228 PolarHBondContact O-N 3Å; W225-R229 HydrophobicContact CD2-CG 4.38Å; W225-R229 HydrophobicContact CZ2-CG 4.24Å; W225-R229 WeakPolarHBondContact O-CG 3.29Å; W225-R229 PolarHBondContact O-N 3.04Å
226	A	50.3	Low	49.8	Very low	33 Å²	33	46.3 Å²	46.3	27%	0.273	26%	0.255	S	S	.	.	H	α-helix	trans	-56.2	-39.4	178.3	0	0	0	0	0	111.8	I222 G223 R229 K230	I222-A226 PolarHBondContact O-N 2.89Å; G223-A226 PolarHBondContact O-N 3.47Å; A226-R229 PolarHBondContact O-N 3.16Å; A226-K230 PolarHBondContact O-N 3.21Å
227	S	51.2	Low	49.9	Very low	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-71.6	-42.9	-179	-56.9	0	0	0	0	112.5	D123 G223 W225 K230 V231 S316	D123-S227 WeakPolarHBondContact OD2-CB 3.4Å; D123-S227 PolarHBondContact OD2-OG 3.04Å; G223-S227 WeakPolarHBondContact O-CB 2.89Å; G223-S227 PolarHBondContact O-N 3Å; G223-S227 VanDerWaalsContact O-N 3.08Å; G223-S227 PolarHBondContact O-OG 3.18Å; W225-S227 PolarHBondContact O-N 3.04Å; S227-K230 PolarHBondContact O-N 2.79Å; S227-V231 PolarHBondContact O-N 3.19Å; S227-S316 WeakPolarHBondContact OG-CB 3.36Å; S227-S316 PolarHBondContact OG-OG 3.5Å; S227-S316 VanDerWaalsContact OG-OG 3.1Å
228	T	55.5	Low	49.8	Very low	4 Å²	4	45.1 Å²	45.1	3%	0.025	24%	0.235	C	C	.	.	H	α-helix	trans	-57.8	-48.2	171.5	-62.8	0	0	0	0	110.9	Y125 A129 W149 H224 W225 K230 V231 L232	Y125-T228 WeakPolarHBondContact CB-OG1 3.41Å; A129-T228 HydrophobicContact CB-CG2 3.91Å; W149-T228 HydrophobicContact CH2-CG2 4.48Å; H224-T228 WeakPolarHBondContact O-CB 3.43Å; H224-T228 PolarHBondContact O-N 3.38Å; H224-T228 PolarHBondContact O-OG1 2.62Å; W225-T228 PolarHBondContact O-N 3Å; T228-K230 VanDerWaalsContact C-N 3.31Å; T228-K230 PolarHBondContact O-N 3.24Å; T228-V231 WeakPolarHBondContact O-CB 3.28Å; T228-V231 PolarHBondContact O-N 2.9Å; T228-L232 HydrophobicContact CG2-CD1 3.79Å; T228-L232 WeakPolarHBondContact O-CD1 3.33Å; T228-L232 VanDerWaalsContact O-CG 3.28Å; T228-L232 WeakPolarHBondContact O-CG 3.35Å; T228-L232 PolarHBondContact O-N 2.73Å
229	R	52.8	Low	49.6	Very low	137 Å²	137	43.2 Å²	43.2	52%	0.517	23%	0.227	S	C	.	.	H	α-helix	trans	-58.5	-40.9	176.7	-74.4	-172.3	70.2	-172.1	5.6	112.5	W225 A226 L232 S233 I240	W225-R229 HydrophobicContact CD2-CG 4.38Å; W225-R229 HydrophobicContact CZ2-CG 4.24Å; W225-R229 WeakPolarHBondContact O-CG 3.29Å; W225-R229 PolarHBondContact O-N 3.04Å; A226-R229 PolarHBondContact O-N 3.16Å; R229-L232 PolarHBondContact O-N 2.74Å; R229-S233 WeakPolarHBondContact O-CB 3.17Å; R229-S233 PolarHBondContact O-N 3.42Å; R229-I240 HydrophobicContact CG-CD1 4.08Å
230	K	52.1	Low	49.3	Very low	67 Å²	67	44.4 Å²	44.4	29%	0.291	23%	0.233	S	C	.	.	H	α-helix	trans	-61.9	-47.4	176.6	-170.9	82.7	175.3	-167.4	0	111.3	A226 S227 T228 L232 S233 L234 N308 L319	A226-K230 PolarHBondContact O-N 3.21Å; S227-K230 PolarHBondContact O-N 2.79Å; T228-K230 VanDerWaalsContact C-N 3.31Å; T228-K230 PolarHBondContact O-N 3.24Å; K230-L232 VanDerWaalsContact C-N 3.27Å; K230-L232 PolarHBondContact O-N 3.45Å; K230-S233 PolarHBondContact O-N 3.2Å; K230-L234 HydrophobicContact CG-CD1 4Å; K230-L234 HydrophobicContact CG-CG 4.29Å; K230-L234 WeakPolarHBondContact O-CB 3.39Å; K230-L234 WeakPolarHBondContact O-CG 3.46Å; K230-L234 PolarHBondContact O-N 2.85Å; K230-N308 PolarHBondContact NZ-OD1 2.83Å; K230-L319 VanDerWaalsContact CG-O 3.31Å; K230-L319 WeakPolarHBondContact CG-O 3.35Å
231	V	52.9	Low	48.6	Very low	2 Å²	2	44.3 Å²	44.3	1%	0.012	23%	0.232	C	C	.	.	H	α-helix	trans	-56.4	-44.1	177.8	166.6	0	0	0	0	111.3	F118 A126 A129 W130 L133 S227 T228 L234 G235 L319	F118-V231 HydrophobicContact CE1-CG2 4.04Å; F118-V231 HydrophobicContact CZ-CG2 4.31Å; A126-V231 HydrophobicContact CB-CG2 3.8Å; A129-V231 HydrophobicContact CB-CB 4.46Å; A129-V231 HydrophobicContact CB-CG1 3.94Å; W130-V231 HydrophobicContact CB-CG1 3.79Å; W130-V231 HydrophobicContact CE3-CG1 4.04Å; L133-V231 HydrophobicContact CD1-CG1 4.32Å; S227-V231 PolarHBondContact O-N 3.19Å; T228-V231 WeakPolarHBondContact O-CB 3.28Å; T228-V231 PolarHBondContact O-N 2.9Å; V231-L234 PolarHBondContact O-N 3.45Å; V231-G235 PolarHBondContact O-N 2.87Å; V231-L319 HydrophobicContact CG2-CD1 4.06Å; V231-L319 HydrophobicContact CG2-CD2 3.75Å
232	L	54.5	Low	48	Very low	8 Å²	8	47.4 Å²	47.4	4%	0.042	24%	0.244	C	C	.	.	H	α-helix	trans	-65	-45.8	178.6	-65.1	157.9	0	0	0	112.1	A129 L133 I183 T228 R229 K230 L234 G235 G236 V237	A129-L232 HydrophobicContact CB-CD2 4.42Å; A129-L232 HydrophobicContact CB-CG 4.44Å; L133-L232 HydrophobicContact CD1-CD2 4.17Å; L133-L232 HydrophobicContact CG-CD2 4.42Å; I183-L232 HydrophobicContact CD1-CD1 3.16Å; I183-L232 HydrophobicContact CD1-CD2 3.91Å; I183-L232 HydrophobicContact CD1-CG 4.08Å; T228-L232 HydrophobicContact CG2-CD1 3.79Å; T228-L232 WeakPolarHBondContact O-CD1 3.33Å; T228-L232 VanDerWaalsContact O-CG 3.28Å; T228-L232 WeakPolarHBondContact O-CG 3.35Å; T228-L232 PolarHBondContact O-N 2.73Å; R229-L232 PolarHBondContact O-N 2.74Å; K230-L232 VanDerWaalsContact C-N 3.27Å; K230-L232 PolarHBondContact O-N 3.45Å; L232-L234 VanDerWaalsContact C-N 3.35Å; L232-L234 PolarHBondContact O-N 3.05Å; L232-G235 CarbonylContact O-C 3.59Å; L232-G235 WeakPolarHBondContact O-CA 3.4Å; L232-G235 PolarHBondContact O-N 3.29Å; L232-G235 VanDerWaalsContact O-N 3.08Å; L232-G236 PolarHBondContact O-N 3.19Å; L232-V237 HydrophobicContact CB-CB 4.23Å; L232-V237 HydrophobicContact CB-CG2 4.29Å; L232-V237 HydrophobicContact CD2-CG2 4.4Å; L232-V237 VanDerWaalsContact O-CB 3.29Å; L232-V237 WeakPolarHBondContact O-CB 3.12Å; L232-V237 WeakPolarHBondContact O-CG2 3.33Å; L232-V237 PolarHBondContact O-N 2.82Å
233	S	50.8	Low	47	Very low	79 Å²	79	47.6 Å²	47.6	55%	0.552	24%	0.244	S	C	*	.	H	α-helix	trans	-61	-42.3	176.1	179.2	0	0	0	0	112.1	R229 K230 G235 G236	R229-S233 WeakPolarHBondContact O-CB 3.17Å; R229-S233 PolarHBondContact O-N 3.42Å; K230-S233 PolarHBondContact O-N 3.2Å; S233-G235 VanDerWaalsContact C-N 3.26Å; S233-G235 PolarHBondContact O-N 3.35Å; S233-G236 WeakPolarHBondContact O-CA 3.16Å; S233-G236 PolarHBondContact O-N 2.94Å
234	L	50.5	Low	46.1	Very low	120 Å²	120	49.1 Å²	49.1	63%	0.628	26%	0.255	S	S	*	.	H	α-helix	trans	-64.9	-31.5	173.9	-71.7	173.5	0	0	0	112.3	K230 V231 L232 G236	K230-L234 HydrophobicContact CG-CD1 4Å; K230-L234 HydrophobicContact CG-CG 4.29Å; K230-L234 WeakPolarHBondContact O-CB 3.39Å; K230-L234 WeakPolarHBondContact O-CG 3.46Å; K230-L234 PolarHBondContact O-N 2.85Å; V231-L234 PolarHBondContact O-N 3.45Å; L232-L234 VanDerWaalsContact C-N 3.35Å; L232-L234 PolarHBondContact O-N 3.05Å; L234-G236 PolarHBondContact O-N 3.19Å
235	G	51.4	Low	45	Very low	6 Å²	6	53.3 Å²	53.3	6%	0.062	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-1.6	169.9	0	0	0	0	0	114.4	V231 L232 S233	V231-G235 PolarHBondContact O-N 2.87Å; L232-G235 CarbonylContact O-C 3.59Å; L232-G235 WeakPolarHBondContact O-CA 3.4Å; L232-G235 PolarHBondContact O-N 3.29Å; L232-G235 VanDerWaalsContact O-N 3.08Å; S233-G235 VanDerWaalsContact C-N 3.26Å; S233-G235 PolarHBondContact O-N 3.35Å
236	G	44.7	Very low	44	Very low	25 Å²	25	53.4 Å²	53.4	26%	0.258	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.2	12.7	179.9	0	0	0	0	0	114.5	L232 S233 L234 K238	L232-G236 PolarHBondContact O-N 3.19Å; S233-G236 WeakPolarHBondContact O-CA 3.16Å; S233-G236 PolarHBondContact O-N 2.94Å; L234-G236 PolarHBondContact O-N 3.19Å; G236-K238 PolarHBondContact O-N 3.03Å
237	V	45.8	Very low	42.8	Very low	12 Å²	12	56.4 Å²	56.4	7%	0.073	29%	0.292	C	S	.	.			trans	-71.7	111.2	173.5	-177.8	0	0	0	0	108.4	L133 V178 L181 L232	L133-V237 HydrophobicContact CD2-CG2 4.21Å; V178-V237 WeakPolarHBondContact O-CA 3.49Å; L181-V237 HydrophobicContact CB-CG1 3.54Å; L181-V237 HydrophobicContact CB-CG2 4.41Å; L181-V237 HydrophobicContact CD1-CG1 4.42Å; L181-V237 HydrophobicContact CD1-CG2 3.76Å; L232-V237 HydrophobicContact CB-CB 4.23Å; L232-V237 HydrophobicContact CB-CG2 4.29Å; L232-V237 HydrophobicContact CD2-CG2 4.4Å; L232-V237 VanDerWaalsContact O-CB 3.29Å; L232-V237 WeakPolarHBondContact O-CB 3.12Å; L232-V237 WeakPolarHBondContact O-CG2 3.33Å; L232-V237 PolarHBondContact O-N 2.82Å
238	K	43.5	Very low	41.8	Very low	175 Å²	175	66 Å²	66	76%	0.761	33%	0.33	S	S	*	.			trans	-94.3	-38.3	-174.9	-67.7	-177.4	179.6	178.6	0	112.6	N179 G236	N179-K238 WeakPolarHBondContact O-CB 3.2Å; N179-K238 PolarHBondContact O-N 2.88Å; G236-K238 PolarHBondContact O-N 3.03Å
239	G	41.2	Very low	40.6	Very low	16 Å²	16	74.5 Å²	74.5	17%	0.165	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	118.7	174.8	0	0	0	0	0	111.5	N179 D180 L181	N179-G239 PolarHBondContact O-N 3.5Å; D180-G239 WeakPolarHBondContact CA-O 3.45Å; L181-G239 PolarHBondContact N-O 3.32Å
240	I	41.1	Very low	39.5	Very low	54 Å²	54	72.6 Å²	72.6	28%	0.277	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	101.7	154	-60.6	174.4	0	0	0	104	I183 R229 E242	I183-I240 HydrophobicContact CB-CG2 4.14Å; I183-I240 HydrophobicContact CD1-CG1 4.42Å; R229-I240 HydrophobicContact CG-CD1 4.08Å; I240-E242 PolarHBondContact O-N 2.94Å
241	I	32	Very low	38.3	Very low	42 Å²	42	74.3 Å²	74.3	22%	0.215	39%	0.39	C	S	.	.			trans	-68.8	122	176.4	-66.3	165.1	0	0	0	107.4	D180 L181 I182 D245	D180-I241 HydrophobicContact CB-CD1 3.46Å; D180-I241 VanDerWaalsContact CB-CD1 3.46Å; D180-I241 HydrophobicContact CB-CG1 3.88Å; L181-I241 PolarHBondContact O-N 3Å; I182-I241 HydrophobicContact CB-CB 4.28Å; I182-I241 HydrophobicContact CD1-CD1 4.43Å; I182-I241 HydrophobicContact CG1-CB 3.64Å; I182-I241 HydrophobicContact CG1-CD1 3.62Å; I182-I241 HydrophobicContact CG1-CG1 4.21Å; I182-I241 HydrophobicContact CG1-CG2 3.8Å; I241-D245 HydrophobicContact CG2-CB 3.8Å
242	E	34.8	Very low	37	Very low	101 Å²	101	79.1 Å²	79.1	47%	0.472	41%	0.412	S	S	.	.			trans	-73.2	135.3	175.1	-64.2	-177	174.4	0	0	108.7	I240 S244 D245	I240-E242 PolarHBondContact O-N 2.94Å; E242-S244 PolarHBondContact O-N 3.26Å; E242-D245 PolarHBondContact O-N 3.03Å
243	E	28.4	Very low	35.7	Very low	36 Å²	36	84 Å²	84	17%	0.168	44%	0.435	C	S	.	.	G	3₁₀ helix	trans	-53.6	-19.9	-173.8	-117.7	-177.2	146.1	0	0	114.5	A184 D245 V246 F247	A184-E243 HydrophobicContact CB-CG 4.5Å; E243-D245 PolarHBondContact O-N 3.47Å; E243-V246 PolarHBondContact O-N 2.93Å; E243-F247 HydrophobicContact CG-CD2 3.97Å; E243-F247 HydrophobicContact CG-CE2 4.07Å; E243-F247 PolarHBondContact O-N 2.83Å; E243-F247 WeakPolarHBondContact OE1-CE2 3.44Å
244	S	28.9	Very low	34.6	Very low	34 Å²	34	82.9 Å²	82.9	24%	0.238	42%	0.423	C	S	.	.	G	3₁₀ helix	trans	-57.2	-27.4	173.4	49.7	0	0	0	0	113.7	E242 V246	E242-S244 PolarHBondContact O-N 3.26Å; S244-V246 PolarHBondContact O-N 2.81Å
245	D	30.8	Very low	33.5	Very low	112 Å²	112	84.3 Å²	84.3	60%	0.599	42%	0.424	S	S	*	.	G	3₁₀ helix	trans	-73.5	-18.1	176.4	-72.4	-20.5	0	0	0	112.5	I241 E242 E243	I241-D245 HydrophobicContact CG2-CB 3.8Å; E242-D245 PolarHBondContact O-N 3.03Å; E243-D245 PolarHBondContact O-N 3.47Å
246	V	30	Very low	32.6	Very low	59 Å²	59	87 Å²	87	36%	0.358	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.1	-36.3	-176.8	-173.4	0	0	0	0	111.6	I182 E243 S244	I182-V246 HydrophobicContact CD1-CG2 3.88Å; I182-V246 HydrophobicContact CG1-CG2 4.47Å; I182-V246 HydrophobicContact CG2-CG2 4.37Å; E243-V246 PolarHBondContact O-N 2.93Å; S244-V246 PolarHBondContact O-N 2.81Å
247	F	26.1	Very low	32	Very low	96 Å²	96	90 Å²	90	42%	0.421	45%	0.446	S	S	.	.			trans	-113.2	84.9	-175.1	-62.1	-74	0	0	0	112.1	E243 H249	E243-F247 HydrophobicContact CG-CD2 3.97Å; E243-F247 HydrophobicContact CG-CE2 4.07Å; E243-F247 PolarHBondContact O-N 2.83Å; E243-F247 WeakPolarHBondContact OE1-CE2 3.44Å; F247-H249 PolarHBondContact O-N 3Å
248	Y	29.6	Very low	31.7	Very low	202 Å²	202	95 Å²	95	79%	0.792	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-9.6	178.6	-84.6	-81.4	0	0	0	116.5
249	H	30.5	Very low	31.4	Very low	182 Å²	182	93.6 Å²	93.6	84%	0.843	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.8	-5.3	-167.4	-70	-40.2	0	0	0	116.9	F247	F247-H249 PolarHBondContact O-N 3Å
250	T	30	Very low	31.1	Very low	97 Å²	97	98.7 Å²	98.7	60%	0.595	48%	0.483	S	S	*	.	S	Bend	trans	-162.4	107.8	161.7	28.2	0	0	0	0	107.4	Q252	T250-Q252 VanDerWaalsContact C-N 3.32Å; T250-Q252 PolarHBondContact O-N 3.25Å
251	P	25.8	Very low	31.1	Very low	102 Å²	102	102.5 Å²	102.5	66%	0.662	49%	0.494	S	S	*	.			trans	-64.2	96.4	178.8	24.4	-29	0	0	0	108.4	E253	P251-E253 PolarHBondContact O-N 3.25Å
252	Q	26.5	Very low	31.3	Very low	103 Å²	103	103.3 Å²	103.3	48%	0.481	50%	0.503	S	S	.	.			trans	-78.8	70.9	164	-66.3	-176.3	17.4	0	0	106	T250 L254	T250-Q252 VanDerWaalsContact C-N 3.32Å; T250-Q252 PolarHBondContact O-N 3.25Å; Q252-L254 PolarHBondContact O-N 3.35Å
253	E	26.6	Very low	31.4	Very low	112 Å²	112	104.4 Å²	104.4	52%	0.523	50%	0.504	S	S	.	.			trans	-53.5	118.4	162.6	-73.4	179.7	158.3	0	0	105.9	P251 K255	P251-E253 PolarHBondContact O-N 3.25Å; E253-K255 HydrophobicContact CB-CG 4.16Å; E253-K255 PolarHBondContact O-N 2.81Å; E253-K255 VanDerWaalsContact OE2-CD 3.3Å; E253-K255 WeakPolarHBondContact OE2-CD 3.23Å; E253-K255 WeakPolarHBondContact OE2-CE 3.41Å; E253-K255 IonicContact OE2-NZ 2.61Å; E253-K255 PolarHBondContact OE2-NZ 2.77Å
254	L	27.7	Very low	31.7	Very low	54 Å²	54	106.4 Å²	106.4	28%	0.283	51%	0.512	S	S	.	.			trans	-69.8	64.6	155.2	-103.1	144.5	0	0	0	107.9	P185 A187 V188 Q252 I256	P185-L254 HydrophobicContact CB-CD1 3.15Å; P185-L254 HydrophobicContact CG-CD1 3.08Å; A187-L254 HydrophobicContact CB-CD1 4.34Å; A187-L254 HydrophobicContact CB-CD2 3.66Å; V188-L254 HydrophobicContact CG2-CD1 4.07Å; V188-L254 HydrophobicContact CG2-CD2 4.49Å; V188-L254 HydrophobicContact CG2-CG 4.05Å; Q252-L254 PolarHBondContact O-N 3.35Å; L254-I256 PolarHBondContact O-N 3.34Å
255	K	28.5	Very low	32	Very low	151 Å²	151	109.7 Å²	109.7	66%	0.657	53%	0.526	S	S	*	.			trans	-59.5	97.3	144.7	-80.1	173.4	172.2	150.2	0	103.8	E253 D257	E253-K255 HydrophobicContact CB-CG 4.16Å; E253-K255 PolarHBondContact O-N 2.81Å; E253-K255 VanDerWaalsContact OE2-CD 3.3Å; E253-K255 WeakPolarHBondContact OE2-CD 3.23Å; E253-K255 WeakPolarHBondContact OE2-CE 3.41Å; E253-K255 IonicContact OE2-NZ 2.61Å; E253-K255 PolarHBondContact OE2-NZ 2.77Å; K255-D257 PolarHBondContact O-N 3.12Å
256	I	31.6	Very low	32.1	Very low	61 Å²	61	106.5 Å²	106.5	31%	0.313	51%	0.511	S	S	.	.			trans	-49.2	102.5	142.4	-60.1	175.4	0	0	0	102.5	L254 D258 W260 R261 F264	L254-I256 PolarHBondContact O-N 3.34Å; I256-D258 PolarHBondContact O-N 3.49Å; I256-W260 HydrophobicContact CG2-CB 3.71Å; I256-R261 VanDerWaalsContact CG2-CA 3.47Å; I256-R261 HydrophobicContact CG2-CB 4.04Å; I256-R261 HydrophobicContact CG2-CG 4.42Å; I256-F264 HydrophobicContact CB-CD2 4.43Å; I256-F264 HydrophobicContact CD1-CB 4.07Å; I256-F264 HydrophobicContact CD1-CD2 4.17Å; I256-F264 HydrophobicContact CD1-CG 4.01Å; I256-F264 HydrophobicContact CG1-CD2 4.29Å; I256-F264 HydrophobicContact CG2-CB 4.42Å; I256-F264 HydrophobicContact CG2-CD2 3.32Å; I256-F264 HydrophobicContact CG2-CE2 3.84Å; I256-F264 HydrophobicContact CG2-CG 4.14Å
257	D	33.2	Very low	32.5	Very low	88 Å²	88	104.5 Å²	104.5	47%	0.471	50%	0.5	S	S	.	.			trans	-46.1	139.2	-178.5	-153.7	-26.8	0	0	0	106.6	K255 E259 W260 R261	K255-D257 PolarHBondContact O-N 3.12Å; D257-E259 CarbonylContact O-C 3.51Å; D257-E259 PolarHBondContact O-N 2.65Å; D257-W260 HydrophobicContact CB-CG 4.48Å; D257-W260 WeakPolarHBondContact O-CA 3.34Å; D257-W260 PolarHBondContact O-N 3.16Å; D257-R261 PolarHBondContact O-N 2.91Å
258	D	39.1	Very low	33	Very low	119 Å²	119	103 Å²	103	64%	0.636	50%	0.5	S	S	*	.	H	α-helix	trans	-56.1	-24.5	-174.9	-78.7	-41.5	0	0	0	110.6	I256 R261	I256-D258 PolarHBondContact O-N 3.49Å; D258-R261 PolarHBondContact O-N 2.71Å; D258-R261 IonicContact OD1-NH1 2.87Å; D258-R261 PolarHBondContact OD1-NH1 2.86Å
259	E	37.2	Very low	33.9	Very low	144 Å²	144	95.6 Å²	95.6	67%	0.673	48%	0.484	S	S	*	.	H	α-helix	trans	-57.4	-46.4	167.5	-62.4	-166.1	164.7	0	0	113.7	D257 S262 Y263	D257-E259 CarbonylContact O-C 3.51Å; D257-E259 PolarHBondContact O-N 2.65Å; E259-S262 PolarHBondContact O-OG 3.49Å; E259-Y263 WeakPolarHBondContact O-CD2 3.26Å; E259-Y263 WeakPolarHBondContact O-CE2 3.49Å
260	W	35.4	Very low	34.8	Very low	124 Å²	124	88.2 Å²	88.2	47%	0.47	45%	0.451	S	S	.	.	H	α-helix	trans	-81.8	-21	-179.3	-63.3	110.6	0	0	0	113.6	I256 D257 S262 Y263 F264	I256-W260 HydrophobicContact CG2-CB 3.71Å; D257-W260 HydrophobicContact CB-CG 4.48Å; D257-W260 WeakPolarHBondContact O-CA 3.34Å; D257-W260 PolarHBondContact O-N 3.16Å; W260-S262 PolarHBondContact O-N 3.03Å; W260-S262 VanDerWaalsContact O-N 3.17Å; W260-Y263 HydrophobicContact CE3-CD2 4.02Å; W260-Y263 HydrophobicContact CE3-CE2 4.48Å; W260-Y263 HydrophobicContact CE3-CG 4.4Å; W260-Y263 WeakPolarHBondContact O-CA 3.45Å; W260-Y263 WeakPolarHBondContact O-CB 3.47Å; W260-Y263 PolarHBondContact O-N 2.8Å; W260-F264 HydrophobicContact CB-CD2 3.98Å; W260-F264 HydrophobicContact CB-CE2 3.89Å; W260-F264 WeakPolarHBondContact O-CD2 3.33Å; W260-F264 PolarHBondContact O-N 2.94Å; W260-F264 VanDerWaalsContact O-N 3.12Å
261	R	40.3	Very low	36	Very low	134 Å²	134	87.8 Å²	87.8	51%	0.506	45%	0.445	S	S	.	.	H	α-helix	trans	-57.4	-37.4	-173.2	-156.8	178.4	-167.5	163.3	2.1	112.4	I256 D257 D258 Y263 F264 L265	I256-R261 VanDerWaalsContact CG2-CA 3.47Å; I256-R261 HydrophobicContact CG2-CB 4.04Å; I256-R261 HydrophobicContact CG2-CG 4.42Å; D257-R261 PolarHBondContact O-N 2.91Å; D258-R261 PolarHBondContact O-N 2.71Å; D258-R261 IonicContact OD1-NH1 2.87Å; D258-R261 PolarHBondContact OD1-NH1 2.86Å; R261-Y263 VanDerWaalsContact C-N 3.33Å; R261-Y263 PolarHBondContact O-N 2.71Å; R261-F264 PolarHBondContact O-N 3.25Å; R261-L265 HydrophobicContact CG-CD1 3.81Å; R261-L265 HydrophobicContact CG-CG 4.32Å; R261-L265 WeakPolarHBondContact O-CB 2.95Å; R261-L265 PolarHBondContact O-N 2.88Å
262	S	37.1	Very low	37.5	Very low	58 Å²	58	87.8 Å²	87.8	41%	0.406	44%	0.436	S	S	.	.	H	α-helix	trans	-60.8	-38.4	171.1	65.8	0	0	0	0	112	E259 W260 F264 T266	E259-S262 PolarHBondContact O-OG 3.49Å; W260-S262 PolarHBondContact O-N 3.03Å; W260-S262 VanDerWaalsContact O-N 3.17Å; S262-F264 PolarHBondContact O-N 2.91Å; S262-T266 WeakPolarHBondContact CA-OG1 3.3Å; S262-T266 WeakPolarHBondContact O-CA 3.3Å; S262-T266 WeakPolarHBondContact O-CB 3.31Å; S262-T266 PolarHBondContact O-N 3.19Å; S262-T266 PolarHBondContact O-OG1 2.97Å
263	Y	36.4	Very low	39.2	Very low	125 Å²	125	83.1 Å²	83.1	49%	0.49	41%	0.414	S	S	.	.	H	α-helix	trans	-73.4	-29.3	178.5	-61.3	-91.4	0	0	0	113.7	E259 W260 R261	E259-Y263 WeakPolarHBondContact O-CD2 3.26Å; E259-Y263 WeakPolarHBondContact O-CE2 3.49Å; W260-Y263 HydrophobicContact CE3-CD2 4.02Å; W260-Y263 HydrophobicContact CE3-CE2 4.48Å; W260-Y263 HydrophobicContact CE3-CG 4.4Å; W260-Y263 WeakPolarHBondContact O-CA 3.45Å; W260-Y263 WeakPolarHBondContact O-CB 3.47Å; W260-Y263 PolarHBondContact O-N 2.8Å; R261-Y263 VanDerWaalsContact C-N 3.33Å; R261-Y263 PolarHBondContact O-N 2.71Å
264	F	33.5	Very low	41	Very low	77 Å²	77	78.4 Å²	78.4	34%	0.338	39%	0.392	S	S	.	.	H	α-helix	trans	-84.1	-34.4	178.7	-77.3	-80.5	0	0	0	114	I222 I256 W260 R261 S262	I222-F264 HydrophobicContact CD1-CE1 4.44Å; I222-F264 HydrophobicContact CG1-CD1 4.44Å; I222-F264 HydrophobicContact CG1-CE1 3.96Å; I222-F264 HydrophobicContact CG2-CD1 4.49Å; I256-F264 HydrophobicContact CB-CD2 4.43Å; I256-F264 HydrophobicContact CD1-CB 4.07Å; I256-F264 HydrophobicContact CD1-CD2 4.17Å; I256-F264 HydrophobicContact CD1-CG 4.01Å; I256-F264 HydrophobicContact CG1-CD2 4.29Å; I256-F264 HydrophobicContact CG2-CB 4.42Å; I256-F264 HydrophobicContact CG2-CD2 3.32Å; I256-F264 HydrophobicContact CG2-CE2 3.84Å; I256-F264 HydrophobicContact CG2-CG 4.14Å; W260-F264 HydrophobicContact CB-CD2 3.98Å; W260-F264 HydrophobicContact CB-CE2 3.89Å; W260-F264 WeakPolarHBondContact O-CD2 3.33Å; W260-F264 PolarHBondContact O-N 2.94Å; W260-F264 VanDerWaalsContact O-N 3.12Å; R261-F264 PolarHBondContact O-N 3.25Å; S262-F264 PolarHBondContact O-N 2.91Å
265	L	35.4	Very low	42.9	Very low	103 Å²	103	81.7 Å²	81.7	54%	0.539	41%	0.406	S	S	.	.	H	α-helix	trans	-99.3	-24.4	-179.5	-61.1	-178	0	0	0	112.7	R261 P267	R261-L265 HydrophobicContact CG-CD1 3.81Å; R261-L265 HydrophobicContact CG-CG 4.32Å; R261-L265 WeakPolarHBondContact O-CB 2.95Å; R261-L265 PolarHBondContact O-N 2.88Å; L265-P267 VanDerWaalsContact O-CD 3.31Å; L265-P267 WeakPolarHBondContact O-CD 3.5Å
266	T	34	Very low	44.9	Very low	46 Å²	46	75.2 Å²	75.2	28%	0.282	38%	0.378	S	S	.	.	S	Bend	trans	-88.2	118.5	177.4	-39.4	0	0	0	0	108.2	S262 L271	S262-T266 WeakPolarHBondContact CA-OG1 3.3Å; S262-T266 WeakPolarHBondContact O-CA 3.3Å; S262-T266 WeakPolarHBondContact O-CB 3.31Å; S262-T266 PolarHBondContact O-N 3.19Å; S262-T266 PolarHBondContact O-OG1 2.97Å; T266-L271 HydrophobicContact CG2-CD1 3.39Å; T266-L271 HydrophobicContact CG2-CG 3.75Å
267	P	38	Very low	46.9	Very low	17 Å²	17	72.3 Å²	72.3	11%	0.11	36%	0.364	C	S	.	.	P	Polyproline II helix	trans	-49.9	133.8	176.5	5.3	-20.8	0	0	0	112	L265 G269 N270 F305 G310	L265-P267 VanDerWaalsContact O-CD 3.31Å; L265-P267 WeakPolarHBondContact O-CD 3.5Å; P267-G269 PolarHBondContact O-N 3.26Å; P267-G269 VanDerWaalsContact O-N 3.1Å; P267-N270 HydrophobicContact CB-CB 3.88Å; P267-N270 HydrophobicContact CG-CB 3.97Å; P267-N270 PolarHBondContact O-N 3.38Å; P267-F305 HydrophobicContact CB-CE1 4.49Å; P267-F305 HydrophobicContact CB-CE2 4.17Å; P267-F305 HydrophobicContact CB-CZ 3.5Å; P267-F305 HydrophobicContact CG-CE1 4.02Å; P267-F305 HydrophobicContact CG-CZ 3.48Å; P267-F305 VanDerWaalsContact CG-CZ 3.48Å; P267-G310 WeakPolarHBondContact CB-O 3.33Å; P267-G310 WeakPolarHBondContact CG-O 3.47Å
268	P	35.8	Very low	48.7	Very low	65 Å²	65	73.4 Å²	73.4	42%	0.422	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	123.1	168.5	24.6	-32.9	0	0	0	108.7	M219 N270	M219-P268 HydrophobicContact CE-CB 3.35Å; M219-P268 HydrophobicContact CE-CG 3.43Å; M219-P268 VanDerWaalsContact CE-CG 3.43Å; M219-P268 HydrophobicContact SD-CB 4.23Å; P268-N270 VanDerWaalsContact C-N 3.34Å; P268-N270 PolarHBondContact O-N 3.26Å; P268-N270 VanDerWaalsContact O-N 3.16Å
269	G	49	Very low	50.3	Low	46 Å²	46	70.1 Å²	70.1	47%	0.474	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.5	-36.6	176.2	0	0	0	0	0	115.9	P267 L271 H272	P267-G269 PolarHBondContact O-N 3.26Å; P267-G269 VanDerWaalsContact O-N 3.1Å; G269-L271 VanDerWaalsContact C-N 3.27Å; G269-L271 PolarHBondContact O-N 2.91Å; G269-H272 PolarHBondContact O-CE1 2.86Å; G269-H272 PolarHBondContact O-ND1 3.27Å
270	N	50.8	Low	51.8	Low	27 Å²	27	71.1 Å²	71.1	14%	0.144	35%	0.346	C	S	.	.	H	α-helix	trans	-75.2	-6.7	-162.3	-62.7	-16.6	0	0	0	116.1	P267 P268 H272 I273 I274 F305	P267-N270 HydrophobicContact CB-CB 3.88Å; P267-N270 HydrophobicContact CG-CB 3.97Å; P267-N270 PolarHBondContact O-N 3.38Å; P268-N270 VanDerWaalsContact C-N 3.34Å; P268-N270 PolarHBondContact O-N 3.26Å; P268-N270 VanDerWaalsContact O-N 3.16Å; N270-H272 VanDerWaalsContact C-N 3.32Å; N270-H272 PolarHBondContact O-N 3.01Å; N270-I273 WeakPolarHBondContact O-CB 3Å; N270-I273 PolarHBondContact O-N 3.28Å; N270-I273 VanDerWaalsContact O-N 3.12Å; N270-I273 WeakPolarHBondContact OD1-CD1 3.04Å; N270-I274 WeakPolarHBondContact O-CG1 3.38Å; N270-I274 PolarHBondContact O-N 3.07Å; N270-F305 HydrophobicContact CB-CE1 4.49Å; N270-F305 HydrophobicContact CB-CZ 4.07Å; N270-F305 WeakPolarHBondContact ND2-CE2 3.26Å; N270-F305 WeakPolarHBondContact ND2-CZ 3.34Å
271	L	53.9	Low	53.4	Low	87 Å²	87	66.6 Å²	66.6	46%	0.455	33%	0.332	S	S	.	.	H	α-helix	trans	-55.7	-44.7	174.3	-109.5	164	0	0	0	112.6	T266 G269 I273 I274 Q275	T266-L271 HydrophobicContact CG2-CD1 3.39Å; T266-L271 HydrophobicContact CG2-CG 3.75Å; G269-L271 VanDerWaalsContact C-N 3.27Å; G269-L271 PolarHBondContact O-N 2.91Å; L271-I273 VanDerWaalsContact C-N 3.3Å; L271-I273 PolarHBondContact O-N 3.19Å; L271-I274 PolarHBondContact O-N 3.35Å; L271-Q275 WeakPolarHBondContact O-CB 2.99Å; L271-Q275 VanDerWaalsContact O-CG 3.3Å; L271-Q275 WeakPolarHBondContact O-CG 3.25Å; L271-Q275 PolarHBondContact O-N 2.95Å
272	H	58.1	Low	54.9	Low	102 Å²	102	60.3 Å²	60.3	47%	0.472	31%	0.308	S	S	.	.	H	α-helix	trans	-67.6	-34.6	178.7	74	-90.1	0	0	0	111.5	G269 N270 L276	G269-H272 PolarHBondContact O-CE1 2.86Å; G269-H272 PolarHBondContact O-ND1 3.27Å; N270-H272 VanDerWaalsContact C-N 3.32Å; N270-H272 PolarHBondContact O-N 3.01Å; H272-L276 WeakPolarHBondContact O-CB 3.28Å; H272-L276 PolarHBondContact O-N 2.91Å
273	I	61.1	Low	56.7	Low	6 Å²	6	58.7 Å²	58.7	3%	0.031	30%	0.297	C	S	.	.	H	α-helix	trans	-63.2	-51.6	174.7	-67.4	-177.6	0	0	0	110.1	N270 L271 Q275 L276 F277 L329 C333	N270-I273 WeakPolarHBondContact O-CB 3Å; N270-I273 PolarHBondContact O-N 3.28Å; N270-I273 VanDerWaalsContact O-N 3.12Å; N270-I273 WeakPolarHBondContact OD1-CD1 3.04Å; L271-I273 VanDerWaalsContact C-N 3.3Å; L271-I273 PolarHBondContact O-N 3.19Å; I273-Q275 VanDerWaalsContact C-N 3.33Å; I273-Q275 PolarHBondContact O-N 3.43Å; I273-L276 WeakPolarHBondContact O-CB 3.2Å; I273-L276 PolarHBondContact O-N 3.38Å; I273-L276 VanDerWaalsContact O-N 3.15Å; I273-F277 HydrophobicContact CG2-CD2 3.64Å; I273-F277 HydrophobicContact CG2-CE2 3.46Å; I273-F277 VanDerWaalsContact CG2-CE2 3.46Å; I273-F277 WeakPolarHBondContact O-CD2 3.13Å; I273-F277 PolarHBondContact O-N 3.41Å; I273-L329 HydrophobicContact CG2-CD2 4.33Å; I273-L329 HydrophobicContact CG2-CG 4.39Å; I273-C333 HydrophobicContact CD1-CB 4.15Å; I273-C333 HydrophobicContact CG1-CB 3.95Å; I273-C333 WeakPolarHBondContact CG2-SG 3.43Å
274	I	64.9	Low	58.4	Low	13 Å²	13	54.5 Å²	54.5	7%	0.067	29%	0.285	C	S	.	.	H	α-helix	trans	-59.2	-45.2	178.6	-69.3	169.2	0	0	0	110.3	N270 L271 L276 F277 R278 V401 M404	N270-I274 WeakPolarHBondContact O-CG1 3.38Å; N270-I274 PolarHBondContact O-N 3.07Å; L271-I274 PolarHBondContact O-N 3.35Å; I274-L276 VanDerWaalsContact C-N 3.34Å; I274-L276 PolarHBondContact O-N 3.23Å; I274-F277 PolarHBondContact O-N 3.13Å; I274-R278 WeakPolarHBondContact O-CG 3.43Å; I274-R278 PolarHBondContact O-N 3.45Å; I274-V401 HydrophobicContact CG2-CG1 4.04Å; I274-M404 HydrophobicContact CD1-CB 4.25Å; I274-M404 HydrophobicContact CD1-SD 4.5Å
275	Q	67.9	Low	60.4	Low	122 Å²	122	51.2 Å²	51.2	57%	0.57	27%	0.271	S	S	*	.	H	α-helix	trans	-61.4	-40.2	176.5	-75	178.3	2.6	0	0	112.6	L271 I273 R278	L271-Q275 WeakPolarHBondContact O-CB 2.99Å; L271-Q275 VanDerWaalsContact O-CG 3.3Å; L271-Q275 WeakPolarHBondContact O-CG 3.25Å; L271-Q275 PolarHBondContact O-N 2.95Å; I273-Q275 VanDerWaalsContact C-N 3.33Å; I273-Q275 PolarHBondContact O-N 3.43Å; Q275-R278 PolarHBondContact O-N 3.34Å
276	L	70.5	Confident	62.6	Low	15 Å²	15	46.3 Å²	46.3	8%	0.079	25%	0.246	C	C	.	.	H	α-helix	trans	-61.7	-45.4	176	-177.9	67.8	0	0	0	111.2	H272 I273 I274 R278 N279 T282 L336 S337 Y340	H272-L276 WeakPolarHBondContact O-CB 3.28Å; H272-L276 PolarHBondContact O-N 2.91Å; I273-L276 WeakPolarHBondContact O-CB 3.2Å; I273-L276 PolarHBondContact O-N 3.38Å; I273-L276 VanDerWaalsContact O-N 3.15Å; I274-L276 VanDerWaalsContact C-N 3.34Å; I274-L276 PolarHBondContact O-N 3.23Å; L276-R278 VanDerWaalsContact C-N 3.33Å; L276-R278 PolarHBondContact O-N 2.96Å; L276-N279 WeakPolarHBondContact O-CB 3.38Å; L276-N279 PolarHBondContact O-N 3.35Å; L276-T282 VanDerWaalsContact O-CB 3.23Å; L276-T282 WeakPolarHBondContact O-CB 3.45Å; L276-T282 WeakPolarHBondContact O-CG2 3.4Å; L276-T282 PolarHBondContact O-OG1 3.35Å; L276-L336 HydrophobicContact CD2-CB 3.6Å; L276-L336 HydrophobicContact CD2-CD1 4.32Å; L276-L336 HydrophobicContact CG-CB 4.3Å; L276-S337 WeakPolarHBondContact CD2-OG 3.35Å; L276-Y340 HydrophobicContact CD1-CD2 4.41Å; L276-Y340 HydrophobicContact CD1-CG 4.04Å
277	F	73.1	Confident	64.9	Low	1 Å²	1	46.9 Å²	46.9	0%	0.004	24%	0.244	C	C	.	.	H	α-helix	trans	-63.2	-35.1	177.2	-80.9	-69.3	0	0	0	113.2	I273 I274 N279 T282 M286 V298 L329 F332 L336 I397 M398 V401	I273-F277 HydrophobicContact CG2-CD2 3.64Å; I273-F277 HydrophobicContact CG2-CE2 3.46Å; I273-F277 VanDerWaalsContact CG2-CE2 3.46Å; I273-F277 WeakPolarHBondContact O-CD2 3.13Å; I273-F277 PolarHBondContact O-N 3.41Å; I274-F277 PolarHBondContact O-N 3.13Å; F277-N279 PolarHBondContact O-N 2.88Å; F277-T282 HydrophobicContact CD1-CG2 4.44Å; F277-M286 HydrophobicContact CD1-CE 4.33Å; F277-M286 HydrophobicContact CD1-SD 3.8Å; F277-M286 HydrophobicContact CE1-CE 3.72Å; F277-M286 HydrophobicContact CE1-SD 3.72Å; F277-V298 HydrophobicContact CE1-CG1 4.08Å; F277-V298 HydrophobicContact CZ-CG1 3.75Å; F277-L329 HydrophobicContact CE2-CD1 3.91Å; F277-L329 HydrophobicContact CZ-CD1 3.98Å; F277-F332 HydrophobicContact CE1-CD1 4.1Å; F277-F332 AromaticContact CE1-CE1 3.54Å; F277-F332 HydrophobicContact CE1-CE1 3.54Å; F277-F332 AromaticContact CZ-CD1 3.69Å; F277-F332 HydrophobicContact CZ-CD1 3.69Å; F277-F332 AromaticContact CZ-CE1 3.64Å; F277-F332 HydrophobicContact CZ-CE1 3.64Å; F277-L336 HydrophobicContact CD1-CD1 4.4Å; F277-L336 HydrophobicContact CE1-CD1 3.98Å; F277-L336 HydrophobicContact CZ-CD1 4.3Å; F277-I397 HydrophobicContact CD1-CG2 4.22Å; F277-I397 HydrophobicContact CE1-CG2 4.29Å; F277-M398 WeakPolarHBondContact O-CE 3.48Å; F277-M398 VanDerWaalsContact O-SD 3.4Å; F277-V401 HydrophobicContact CB-CB 4.46Å; F277-V401 HydrophobicContact CB-CG1 3.88Å; F277-V401 HydrophobicContact CB-CG2 3.87Å; F277-V401 HydrophobicContact CD2-CG2 4.43Å; F277-V401 HydrophobicContact CG-CG2 4.13Å
278	R	72.1	Confident	66.7	Low	111 Å²	111	47.2 Å²	47.2	42%	0.419	24%	0.243	S	C	.	.	H	α-helix	trans	-64.9	-18.2	177.6	-72.1	-177.9	-161.6	175.9	16.4	113.9	I274 Q275 L276 K280 V401	I274-R278 WeakPolarHBondContact O-CG 3.43Å; I274-R278 PolarHBondContact O-N 3.45Å; Q275-R278 PolarHBondContact O-N 3.34Å; L276-R278 VanDerWaalsContact C-N 3.33Å; L276-R278 PolarHBondContact O-N 2.96Å; R278-K280 PolarHBondContact O-N 3.19Å; R278-V401 HydrophobicContact CG-CG1 4.04Å
279	N	71	Confident	68.9	Low	49 Å²	49	44.2 Å²	44.2	26%	0.262	22%	0.224	S	C	.	.	S	Bend	trans	-69.4	124.4	-178.6	-164.4	-46	0	0	0	110.3	L276 F277 V281 T282 S283 Y340	L276-N279 WeakPolarHBondContact O-CB 3.38Å; L276-N279 PolarHBondContact O-N 3.35Å; F277-N279 PolarHBondContact O-N 2.88Å; N279-V281 PolarHBondContact O-N 3.45Å; N279-V281 VanDerWaalsContact OD1-CB 3.23Å; N279-V281 WeakPolarHBondContact OD1-CB 3.43Å; N279-V281 WeakPolarHBondContact OD1-CG2 3.49Å; N279-V281 PolarHBondContact OD1-N 3.18Å; N279-T282 WeakPolarHBondContact O-CA 3.35Å; N279-T282 VanDerWaalsContact O-CB 3.26Å; N279-T282 WeakPolarHBondContact O-CB 3.43Å; N279-T282 PolarHBondContact O-N 3.31Å; N279-S283 PolarHBondContact O-N 3.01Å; N279-Y340 WeakPolarHBondContact ND2-CE2 3.38Å
280	K	69.8	Low	70.2	Confident	165 Å²	165	45.6 Å²	45.6	72%	0.717	22%	0.224	S	C	*	.	H	α-helix	trans	-52.3	-26.1	177.1	-68.6	-174.4	179.4	-179.9	0	113.3	R278 S283 C284	R278-K280 PolarHBondContact O-N 3.19Å; K280-S283 PolarHBondContact O-OG 2.97Å; K280-C284 PolarHBondContact O-N 2.73Å; K280-C284 PolarHBondContact O-SG 3.28Å; K280-C284 VanDerWaalsContact O-SG 3.34Å
281	V	69.1	Low	71.6	Confident	29 Å²	29	47.5 Å²	47.5	18%	0.176	23%	0.234	C	C	.	.	H	α-helix	trans	-73.4	-40.5	178.1	178	0	0	0	0	110.5	N279 C284 L285 K343	N279-V281 PolarHBondContact O-N 3.45Å; N279-V281 VanDerWaalsContact OD1-CB 3.23Å; N279-V281 WeakPolarHBondContact OD1-CB 3.43Å; N279-V281 WeakPolarHBondContact OD1-CG2 3.49Å; N279-V281 PolarHBondContact OD1-N 3.18Å; V281-C284 WeakPolarHBondContact O-CB 3.47Å; V281-C284 PolarHBondContact O-N 3.04Å; V281-L285 HydrophobicContact CG1-CD1 4.33Å; V281-L285 WeakPolarHBondContact O-CG 3.48Å; V281-L285 PolarHBondContact O-N 3.4Å; V281-K343 HydrophobicContact CG1-CD 3.74Å
282	T	72.6	Confident	72.9	Confident	2 Å²	2	49.6 Å²	49.6	1%	0.012	24%	0.24	C	C	.	.	H	α-helix	trans	-62.4	-46.3	177.1	-53.6	0	0	0	0	110.1	L276 F277 N279 C284 L285 M286 L336	L276-T282 VanDerWaalsContact O-CB 3.23Å; L276-T282 WeakPolarHBondContact O-CB 3.45Å; L276-T282 WeakPolarHBondContact O-CG2 3.4Å; L276-T282 PolarHBondContact O-OG1 3.35Å; F277-T282 HydrophobicContact CD1-CG2 4.44Å; N279-T282 WeakPolarHBondContact O-CA 3.35Å; N279-T282 VanDerWaalsContact O-CB 3.26Å; N279-T282 WeakPolarHBondContact O-CB 3.43Å; N279-T282 PolarHBondContact O-N 3.31Å; T282-C284 VanDerWaalsContact C-N 3.31Å; T282-C284 PolarHBondContact O-N 2.91Å; T282-L285 WeakPolarHBondContact O-CB 3.45Å; T282-L285 PolarHBondContact O-N 2.94Å; T282-M286 HydrophobicContact CG2-SD 4.49Å; T282-M286 VanDerWaalsContact O-CG 3.32Å; T282-M286 WeakPolarHBondContact O-CG 3.29Å; T282-M286 PolarHBondContact O-N 3.5Å; T282-L336 HydrophobicContact CG2-CD1 3.49Å; T282-L336 VanDerWaalsContact CG2-CD1 3.49Å; T282-L336 HydrophobicContact CG2-CD2 3.81Å; T282-L336 HydrophobicContact CG2-CG 4.23Å
283	S	73.5	Confident	74	Confident	24 Å²	24	50.6 Å²	50.6	17%	0.168	25%	0.245	C	C	.	.	H	α-helix	trans	-62.9	-37	177.4	66.4	0	0	0	0	112.7	N279 K280 M286	N279-S283 PolarHBondContact O-N 3.01Å; K280-S283 PolarHBondContact O-OG 2.97Å; S283-M286 PolarHBondContact O-N 3.43Å
284	C	73.3	Confident	74.9	Confident	37 Å²	37	50.5 Å²	50.5	25%	0.25	24%	0.244	C	C	.	.	H	α-helix	trans	-60.7	-47.1	169.9	-72.2	0	0	0	0	111.6	K280 V281 T282 M286 K287 Y288	K280-C284 PolarHBondContact O-N 2.73Å; K280-C284 PolarHBondContact O-SG 3.28Å; K280-C284 VanDerWaalsContact O-SG 3.34Å; V281-C284 WeakPolarHBondContact O-CB 3.47Å; V281-C284 PolarHBondContact O-N 3.04Å; T282-C284 VanDerWaalsContact C-N 3.31Å; T282-C284 PolarHBondContact O-N 2.91Å; C284-M286 VanDerWaalsContact C-N 3.31Å; C284-M286 PolarHBondContact O-N 3.07Å; C284-K287 PolarHBondContact O-N 3.48Å; C284-Y288 WeakPolarHBondContact O-CD2 3.26Å; C284-Y288 WeakPolarHBondContact O-CE2 3.46Å
285	L	75.1	Confident	75.8	Confident	8 Å²	8	49.9 Å²	49.9	4%	0.042	24%	0.241	C	C	.	.	H	α-helix	trans	-60.8	-38.3	179.7	-74.3	171.5	0	0	0	112.8	V281 T282 K287 Y288 W289 F339 F365 F369	V281-L285 HydrophobicContact CG1-CD1 4.33Å; V281-L285 WeakPolarHBondContact O-CG 3.48Å; V281-L285 PolarHBondContact O-N 3.4Å; T282-L285 WeakPolarHBondContact O-CB 3.45Å; T282-L285 PolarHBondContact O-N 2.94Å; L285-K287 VanDerWaalsContact C-N 3.26Å; L285-K287 PolarHBondContact O-N 3.37Å; L285-Y288 CarbonylContact O-C 3.55Å; L285-Y288 PolarHBondContact O-N 3.41Å; L285-Y288 VanDerWaalsContact O-N 3.14Å; L285-W289 PolarHBondContact O-N 3.04Å; L285-F339 HydrophobicContact CD1-CB 4.01Å; L285-F339 HydrophobicContact CD1-CD1 4.42Å; L285-F339 HydrophobicContact CD1-CG 4.3Å; L285-F339 HydrophobicContact CD2-CD1 4.34Å; L285-F365 HydrophobicContact CD2-CZ 4.27Å; L285-F369 HydrophobicContact CD1-CZ 4.45Å; L285-F369 HydrophobicContact CD2-CD2 3.93Å; L285-F369 HydrophobicContact CD2-CE2 3.5Å; L285-F369 VanDerWaalsContact CD2-CE2 3.5Å; L285-F369 HydrophobicContact CD2-CZ 4.06Å; L285-F369 HydrophobicContact CG-CE2 4.33Å
286	M	81.9	Confident	76.4	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-61.9	-31.7	179.6	-69.2	-178	79.9	0	0	113.1	F277 T282 S283 C284 Y288 W289 I295 V298 F332 A389 V394 I397	F277-M286 HydrophobicContact CD1-CE 4.33Å; F277-M286 HydrophobicContact CD1-SD 3.8Å; F277-M286 HydrophobicContact CE1-CE 3.72Å; F277-M286 HydrophobicContact CE1-SD 3.72Å; T282-M286 HydrophobicContact CG2-SD 4.49Å; T282-M286 VanDerWaalsContact O-CG 3.32Å; T282-M286 WeakPolarHBondContact O-CG 3.29Å; T282-M286 PolarHBondContact O-N 3.5Å; S283-M286 PolarHBondContact O-N 3.43Å; C284-M286 VanDerWaalsContact C-N 3.31Å; C284-M286 PolarHBondContact O-N 3.07Å; M286-Y288 PolarHBondContact O-N 3.26Å; M286-W289 WeakPolarHBondContact O-CB 3.39Å; M286-W289 PolarHBondContact O-N 3.49Å; M286-I295 HydrophobicContact CB-CD1 4.06Å; M286-I295 HydrophobicContact CE-CD1 3.73Å; M286-I295 HydrophobicContact CE-CG2 4.34Å; M286-I295 HydrophobicContact CG-CD1 4.16Å; M286-V298 HydrophobicContact CE-CG1 4.47Å; M286-F332 HydrophobicContact CE-CE1 3.87Å; M286-F332 HydrophobicContact CE-CZ 3.73Å; M286-F332 HydrophobicContact CG-CZ 4.09Å; M286-F332 HydrophobicContact SD-CE1 4.46Å; M286-F332 HydrophobicContact SD-CZ 4.43Å; M286-A389 WeakPolarHBondContact O-CB 3.23Å; M286-V394 HydrophobicContact CB-CG1 4.04Å; M286-V394 HydrophobicContact CB-CG2 4.07Å; M286-I397 HydrophobicContact CE-CD1 3.42Å; M286-I397 VanDerWaalsContact CE-CD1 3.42Å; M286-I397 HydrophobicContact CE-CG2 3.93Å; M286-I397 HydrophobicContact SD-CG2 4.37Å
287	K	81.2	Confident	76.9	Confident	58 Å²	58	49.7 Å²	49.7	25%	0.252	25%	0.246	S	C	.	.	H	α-helix	trans	-65.3	-27.4	177.1	-66.9	-170.5	177.1	-157.5	0	113.2	C284 L285 P387 T388 A389 V394	C284-K287 PolarHBondContact O-N 3.48Å; L285-K287 VanDerWaalsContact C-N 3.26Å; L285-K287 PolarHBondContact O-N 3.37Å; K287-P387 WeakPolarHBondContact O-CA 3.43Å; K287-T388 PolarHBondContact O-N 2.87Å; K287-T388 PolarHBondContact O-OG1 2.82Å; K287-A389 PolarHBondContact O-N 3.42Å; K287-V394 HydrophobicContact CG-CB 4.43Å; K287-V394 HydrophobicContact CG-CG1 4.25Å; K287-V394 HydrophobicContact CG-CG2 4.16Å
288	Y	76.7	Confident	77.2	Confident	24 Å²	24	49.6 Å²	49.6	9%	0.094	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.9	21.7	-178.3	-49.2	-76.4	0	0	0	111.5	C284 L285 M286 S382 Q385 P387 T388	C284-Y288 WeakPolarHBondContact O-CD2 3.26Å; C284-Y288 WeakPolarHBondContact O-CE2 3.46Å; L285-Y288 CarbonylContact O-C 3.55Å; L285-Y288 PolarHBondContact O-N 3.41Å; L285-Y288 VanDerWaalsContact O-N 3.14Å; M286-Y288 PolarHBondContact O-N 3.26Å; Y288-S382 WeakPolarHBondContact CE1-O 3.11Å; Y288-S382 VanDerWaalsContact CE2-CB 3.46Å; Y288-S382 VanDerWaalsContact CZ-C 3.47Å; Y288-S382 PolarHBondContact OH-O 3.07Å; Y288-Q385 HydrophobicContact CD1-CB 3.48Å; Y288-Q385 VanDerWaalsContact CD1-CB 3.48Å; Y288-Q385 HydrophobicContact CE1-CB 3.84Å; Y288-Q385 WeakPolarHBondContact CE1-O 3.48Å; Y288-Q385 HydrophobicContact CG-CB 4.15Å; Y288-P387 HydrophobicContact CE1-CB 4.24Å; Y288-P387 HydrophobicContact CE1-CG 3.87Å; Y288-T388 VanDerWaalsContact C-OG1 3.25Å
289	W	81.6	Confident	77.6	Confident	3 Å²	3	44.8 Å²	44.8	1%	0.011	23%	0.228	C	C	.	.			trans	-69.3	129.8	-179.6	-161.7	-100.1	0	0	0	110.4	L285 M286 D291 E294 I295 F332 K335 L336 F339 F361 T388	L285-W289 PolarHBondContact O-N 3.04Å; M286-W289 WeakPolarHBondContact O-CB 3.39Å; M286-W289 PolarHBondContact O-N 3.49Å; W289-D291 PolarHBondContact O-N 2.71Å; W289-E294 PolarHBondContact NE1-OE2 3.5Å; W289-I295 HydrophobicContact CB-CD1 3.7Å; W289-I295 HydrophobicContact CB-CG1 3.7Å; W289-I295 HydrophobicContact CD2-CD1 4.28Å; W289-I295 HydrophobicContact CG-CD1 3.71Å; W289-I295 HydrophobicContact CG-CG1 3.92Å; W289-F332 AromaticContact CD2-CE2 3.75Å; W289-F332 HydrophobicContact CD2-CE2 3.75Å; W289-F332 HydrophobicContact CD2-CZ 4.34Å; W289-F332 AromaticContact CE2-CD2 3.79Å; W289-F332 AromaticContact CE2-CE2 3.26Å; W289-F332 HydrophobicContact CE3-CE2 4.29Å; W289-F332 HydrophobicContact CG-CE2 4.23Å; W289-F332 HydrophobicContact CH2-CD2 4.22Å; W289-F332 AromaticContact CH2-CE2 3.87Å; W289-F332 HydrophobicContact CH2-CE2 3.87Å; W289-F332 HydrophobicContact CH2-CZ 4.29Å; W289-F332 AromaticContact CZ2-CD2 3.48Å; W289-F332 HydrophobicContact CZ2-CD2 3.48Å; W289-F332 VanDerWaalsContact CZ2-CD2 3.48Å; W289-F332 AromaticContact CZ2-CE2 3.29Å; W289-F332 HydrophobicContact CZ2-CE2 3.29Å; W289-F332 HydrophobicContact CZ2-CG 4.46Å; W289-F332 HydrophobicContact CZ2-CZ 4.14Å; W289-F332 HydrophobicContact CZ3-CE2 4.37Å; W289-F332 AromaticContact NE1-CE2 3.6Å; W289-K335 HydrophobicContact CH2-CB 3.61Å; W289-K335 HydrophobicContact CH2-CD 4.34Å; W289-K335 HydrophobicContact CZ2-CB 3.86Å; W289-K335 HydrophobicContact CZ2-CD 3.71Å; W289-K335 HydrophobicContact CZ2-CG 4.45Å; W289-L336 HydrophobicContact CE3-CD2 4.38Å; W289-L336 HydrophobicContact CH2-CD2 3.96Å; W289-L336 HydrophobicContact CH2-CG 3.99Å; W289-L336 HydrophobicContact CZ3-CD2 3.53Å; W289-L336 HydrophobicContact CZ3-CG 4.09Å; W289-F339 HydrophobicContact CZ3-CD2 4.23Å; W289-F339 HydrophobicContact CZ3-CE2 4.3Å; W289-F361 HydrophobicContact CD2-CE1 4.26Å; W289-F361 HydrophobicContact CD2-CZ 4.13Å; W289-F361 AromaticContact CE2-CZ 3.83Å; W289-F361 HydrophobicContact CE3-CE1 4.06Å; W289-F361 HydrophobicContact CE3-CZ 4.05Å; W289-F361 HydrophobicContact CH2-CE1 4.32Å; W289-F361 HydrophobicContact CH2-CE2 4.39Å; W289-F361 AromaticContact CH2-CZ 3.53Å; W289-F361 HydrophobicContact CH2-CZ 3.53Å; W289-F361 HydrophobicContact CZ2-CE1 4.48Å; W289-F361 HydrophobicContact CZ2-CE2 4.42Å; W289-F361 AromaticContact CZ2-CZ 3.58Å; W289-F361 HydrophobicContact CZ2-CZ 3.58Å; W289-F361 HydrophobicContact CZ3-CE1 4.05Å; W289-F361 AromaticContact CZ3-CZ 3.72Å; W289-F361 HydrophobicContact CZ3-CZ 3.72Å; W289-T388 PolarHBondContact N-OG1 3.04Å; W289-T388 WeakPolarHBondContact O-CB 3.39Å; W289-T388 PolarHBondContact O-OG1 3.13Å
290	P	75.6	Confident	77.8	Confident	74 Å²	74	47.6 Å²	47.6	48%	0.481	24%	0.239	S	C	.	.	S	Bend	trans	-62.2	-33.3	-171.3	22.8	-32.9	0	0	0	112.9	F361	P290-F361 HydrophobicContact CG-CD1 3.77Å; P290-F361 HydrophobicContact CG-CE1 3.53Å; P290-F361 HydrophobicContact CG-CZ 4.15Å
291	D	80.5	Confident	77.8	Confident	67 Å²	67	40.1 Å²	40.1	36%	0.358	21%	0.207	S	C	.	.			trans	-101.9	97.2	178.8	-172.7	-14.9	0	0	0	111.4	W289 E293 E294 I295	W289-D291 PolarHBondContact O-N 2.71Å; D291-E293 PolarHBondContact O-N 3Å; D291-E293 PolarHBondContact OD1-N 3.4Å; D291-E294 HydrophobicContact CB-CB 3.83Å; D291-E294 WeakPolarHBondContact O-CB 3.47Å; D291-E294 PolarHBondContact O-N 2.76Å; D291-E294 PolarHBondContact OD1-N 3.36Å; D291-E294 VanDerWaalsContact OD1-N 3.07Å; D291-I295 PolarHBondContact O-N 3.02Å
292	K	80.5	Confident	78	Confident	132 Å²	132	38.9 Å²	38.9	57%	0.574	20%	0.2	S	C	*	.	H	α-helix	trans	-62	-31	179.3	69.1	-179.7	-179.3	179	0	113.1	I295 S296	K292-I295 PolarHBondContact O-N 2.7Å; K292-S296 PolarHBondContact O-N 2.68Å
293	E	81.8	Confident	77.9	Confident	122 Å²	122	42.7 Å²	42.7	57%	0.57	21%	0.214	S	C	*	.	H	α-helix	trans	-73.5	-37.1	-179	-64.6	-174.6	-176.5	0	0	110	D291 I295 S296 H297	D291-E293 PolarHBondContact O-N 3Å; D291-E293 PolarHBondContact OD1-N 3.4Å; E293-I295 VanDerWaalsContact C-N 3.25Å; E293-I295 PolarHBondContact O-N 2.91Å; E293-S296 PolarHBondContact O-N 3.46Å; E293-H297 PolarHBondContact O-N 3.21Å; E293-H297 PolarHBondContact O-ND1 3.45Å
294	E	81.1	Confident	77.3	Confident	4 Å²	4	42.2 Å²	42.2	2%	0.019	21%	0.21	C	C	.	.	H	α-helix	trans	-55.9	-41	173.9	-168.5	172.2	-150.4	0	0	111.4	W289 D291 H297 V298 L327 F332 K335	W289-E294 PolarHBondContact NE1-OE2 3.5Å; D291-E294 HydrophobicContact CB-CB 3.83Å; D291-E294 WeakPolarHBondContact O-CB 3.47Å; D291-E294 PolarHBondContact O-N 2.76Å; D291-E294 PolarHBondContact OD1-N 3.36Å; D291-E294 VanDerWaalsContact OD1-N 3.07Å; E294-H297 PolarHBondContact O-N 3.32Å; E294-V298 WeakPolarHBondContact O-CG2 3.42Å; E294-V298 PolarHBondContact O-N 3.1Å; E294-L327 HydrophobicContact CG-CD2 4.41Å; E294-F332 HydrophobicContact CG-CD2 3.86Å; E294-K335 IonicContact OE1-NZ 2.72Å; E294-K335 PolarHBondContact OE1-NZ 3.17Å; E294-K335 IonicContact OE2-NZ 2.62Å; E294-K335 PolarHBondContact OE2-NZ 2.72Å
295	I	82.8	Confident	76.7	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-65.5	-43.7	177.2	-61.5	-68	0	0	0	112	M286 W289 D291 K292 E293 H297 V298 L299 F332 A389 V393 V394 I397	M286-I295 HydrophobicContact CB-CD1 4.06Å; M286-I295 HydrophobicContact CE-CD1 3.73Å; M286-I295 HydrophobicContact CE-CG2 4.34Å; M286-I295 HydrophobicContact CG-CD1 4.16Å; W289-I295 HydrophobicContact CB-CD1 3.7Å; W289-I295 HydrophobicContact CB-CG1 3.7Å; W289-I295 HydrophobicContact CD2-CD1 4.28Å; W289-I295 HydrophobicContact CG-CD1 3.71Å; W289-I295 HydrophobicContact CG-CG1 3.92Å; D291-I295 PolarHBondContact O-N 3.02Å; K292-I295 PolarHBondContact O-N 2.7Å; E293-I295 VanDerWaalsContact C-N 3.25Å; E293-I295 PolarHBondContact O-N 2.91Å; I295-H297 VanDerWaalsContact C-N 3.31Å; I295-H297 PolarHBondContact O-N 3.15Å; I295-V298 WeakPolarHBondContact O-CB 2.79Å; I295-V298 PolarHBondContact O-N 2.55Å; I295-L299 PolarHBondContact O-N 2.76Å; I295-F332 HydrophobicContact CD1-CE2 3.44Å; I295-F332 VanDerWaalsContact CD1-CE2 3.44Å; I295-F332 HydrophobicContact CD1-CZ 3.44Å; I295-F332 VanDerWaalsContact CD1-CZ 3.44Å; I295-A389 HydrophobicContact CB-CB 4.45Å; I295-A389 HydrophobicContact CG1-CB 4.25Å; I295-A389 HydrophobicContact CG2-CB 4.35Å; I295-V393 HydrophobicContact CG2-CG1 3.91Å; I295-V394 HydrophobicContact CG2-CG2 4.29Å; I295-I397 HydrophobicContact CG2-CD1 3.73Å
296	S	81.6	Confident	76.1	Confident	60 Å²	60	43.7 Å²	43.7	42%	0.42	21%	0.21	S	C	.	.	H	α-helix	trans	-63.3	-37.3	176.1	-67.9	0	0	0	0	112.3	K292 E293 L299 H300	K292-S296 PolarHBondContact O-N 2.68Å; E293-S296 PolarHBondContact O-N 3.46Å; S296-L299 PolarHBondContact O-N 3.3Å; S296-H300 PolarHBondContact O-N 3.03Å; S296-H300 VanDerWaalsContact O-N 3.13Å
297	H	79.3	Confident	75	Confident	73 Å²	73	49.6 Å²	49.6	34%	0.338	24%	0.238	S	C	.	.	H	α-helix	trans	-66.4	-38.8	175	-68.2	120.5	0	0	0	112.3	E293 E294 I295 L299 H300 E301 L327	E293-H297 PolarHBondContact O-N 3.21Å; E293-H297 PolarHBondContact O-ND1 3.45Å; E294-H297 PolarHBondContact O-N 3.32Å; I295-H297 VanDerWaalsContact C-N 3.31Å; I295-H297 PolarHBondContact O-N 3.15Å; H297-L299 VanDerWaalsContact C-N 3.31Å; H297-L299 PolarHBondContact O-N 3.04Å; H297-H300 PolarHBondContact O-N 2.59Å; H297-E301 WeakPolarHBondContact O-CB 3.21Å; H297-E301 PolarHBondContact O-N 3.04Å; H297-L327 HydrophobicContact CB-CB 4.14Å; H297-L327 HydrophobicContact CB-CD1 4.07Å; H297-L327 WeakPolarHBondContact ND1-CD1 3.08Å
298	V	80.2	Confident	73.5	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-57.9	-43.7	173.6	168.1	0	0	0	0	111.2	F277 M286 E294 I295 E301 L302 L329 F332 I397	F277-V298 HydrophobicContact CE1-CG1 4.08Å; F277-V298 HydrophobicContact CZ-CG1 3.75Å; M286-V298 HydrophobicContact CE-CG1 4.47Å; E294-V298 WeakPolarHBondContact O-CG2 3.42Å; E294-V298 PolarHBondContact O-N 3.1Å; I295-V298 WeakPolarHBondContact O-CB 2.79Å; I295-V298 PolarHBondContact O-N 2.55Å; V298-E301 PolarHBondContact O-N 3.02Å; V298-L302 HydrophobicContact CG1-CD1 3.91Å; V298-L302 HydrophobicContact CG1-CG 4.41Å; V298-L302 WeakPolarHBondContact O-CB 3.19Å; V298-L302 VanDerWaalsContact O-CG 3.27Å; V298-L302 WeakPolarHBondContact O-CG 3.49Å; V298-L302 PolarHBondContact O-N 2.85Å; V298-L329 HydrophobicContact CG1-CD1 3.96Å; V298-L329 HydrophobicContact CG2-CD1 4.48Å; V298-F332 HydrophobicContact CG1-CD1 4.41Å; V298-F332 HydrophobicContact CG1-CE1 4.44Å; V298-F332 HydrophobicContact CG2-CB 3.96Å; V298-F332 HydrophobicContact CG2-CD1 3.68Å; V298-F332 HydrophobicContact CG2-CD2 3.86Å; V298-F332 HydrophobicContact CG2-CE1 4.12Å; V298-F332 HydrophobicContact CG2-CE2 4.28Å; V298-F332 HydrophobicContact CG2-CG 3.54Å; V298-F332 HydrophobicContact CG2-CZ 4.43Å; V298-I397 HydrophobicContact CB-CD1 4.47Å; V298-I397 HydrophobicContact CG1-CD1 4.19Å
299	L	80.1	Confident	72.3	Confident	9 Å²	9	51 Å²	51	5%	0.047	26%	0.257	C	S	.	.	H	α-helix	trans	-60.7	-46.3	175.7	177.2	58.7	0	0	0	112	I295 S296 H297 L302 R303 V393 E396 I397 E400	I295-L299 PolarHBondContact O-N 2.76Å; S296-L299 PolarHBondContact O-N 3.3Å; H297-L299 VanDerWaalsContact C-N 3.31Å; H297-L299 PolarHBondContact O-N 3.04Å; L299-L302 PolarHBondContact O-N 3.33Å; L299-R303 HydrophobicContact CD1-CG 4.36Å; L299-R303 WeakPolarHBondContact O-CG 3.37Å; L299-R303 PolarHBondContact O-N 3.14Å; L299-V393 HydrophobicContact CB-CG1 4.29Å; L299-V393 HydrophobicContact CD2-CG1 3.95Å; L299-E396 HydrophobicContact CD1-CB 3.92Å; L299-E396 HydrophobicContact CD2-CB 3.84Å; L299-E396 VanDerWaalsContact CD2-OE2 3.31Å; L299-E396 WeakPolarHBondContact CD2-OE2 3.44Å; L299-I397 HydrophobicContact CB-CD1 4.09Å; L299-I397 HydrophobicContact CB-CG1 3.63Å; L299-I397 HydrophobicContact CD1-CG1 3.85Å; L299-I397 HydrophobicContact CG-CG1 4.24Å; L299-E400 HydrophobicContact CD1-CG 3.95Å
300	H	75.5	Confident	70.8	Confident	108 Å²	108	51.2 Å²	51.2	50%	0.5	26%	0.259	S	S	.	.	H	α-helix	trans	-60.5	-46.4	177.9	-176.1	-67.4	0	0	0	111	S296 H297 L302 R303 S304	S296-H300 PolarHBondContact O-N 3.03Å; S296-H300 VanDerWaalsContact O-N 3.13Å; H297-H300 PolarHBondContact O-N 2.59Å; H300-L302 VanDerWaalsContact C-N 3.33Å; H300-L302 PolarHBondContact O-N 3.17Å; H300-R303 PolarHBondContact O-N 3.25Å; H300-S304 PolarHBondContact CE1-OG 3.28Å; H300-S304 PolarHBondContact O-N 3.35Å; H300-S304 PolarHBondContact O-OG 2.85Å
301	E	70.6	Confident	69.5	Low	9 Å²	9	49.4 Å²	49.4	4%	0.042	25%	0.248	C	C	.	.	H	α-helix	trans	-64.1	-36.8	179.2	-167.2	172	166.7	0	0	111.9	H297 V298 F305 Y312 L329	H297-E301 WeakPolarHBondContact O-CB 3.21Å; H297-E301 PolarHBondContact O-N 3.04Å; V298-E301 PolarHBondContact O-N 3.02Å; E301-F305 WeakPolarHBondContact O-CB 3.44Å; E301-F305 PolarHBondContact O-N 3.46Å; E301-Y312 HydrophobicContact CG-CE2 4.05Å; E301-Y312 PolarHBondContact O-OH 2.75Å; E301-L329 VanDerWaalsContact CD-CB 3.47Å; E301-L329 HydrophobicContact CG-CB 4.36Å; E301-L329 VanDerWaalsContact OE1-CB 3.28Å; E301-L329 WeakPolarHBondContact OE1-CB 3.44Å; E301-L329 PolarHBondContact OE2-N 3.41Å
302	L	71.6	Confident	67.9	Low	3 Å²	3	47.4 Å²	47.4	2%	0.016	24%	0.236	C	C	.	.	H	α-helix	trans	-66	-41	173.1	-74.5	169.3	0	0	0	112.6	V298 L299 H300 F305 R306 L329 I397 E400 V401 M404	V298-L302 HydrophobicContact CG1-CD1 3.91Å; V298-L302 HydrophobicContact CG1-CG 4.41Å; V298-L302 WeakPolarHBondContact O-CB 3.19Å; V298-L302 VanDerWaalsContact O-CG 3.27Å; V298-L302 WeakPolarHBondContact O-CG 3.49Å; V298-L302 PolarHBondContact O-N 2.85Å; L299-L302 PolarHBondContact O-N 3.33Å; H300-L302 VanDerWaalsContact C-N 3.33Å; H300-L302 PolarHBondContact O-N 3.17Å; L302-F305 WeakPolarHBondContact O-CB 3.31Å; L302-F305 PolarHBondContact O-N 3.12Å; L302-R306 PolarHBondContact O-N 3.45Å; L302-L329 HydrophobicContact CD2-CD2 4.47Å; L302-I397 HydrophobicContact CD1-CB 4.45Å; L302-I397 HydrophobicContact CD1-CG1 4.44Å; L302-I397 HydrophobicContact CD1-CG2 3.73Å; L302-E400 HydrophobicContact CB-CB 4.49Å; L302-V401 HydrophobicContact CD1-CG2 3.95Å; L302-V401 HydrophobicContact CD2-CG2 4.38Å; L302-M404 HydrophobicContact CB-CE 3.9Å; L302-M404 HydrophobicContact CD2-CE 3.77Å; L302-M404 HydrophobicContact CD2-SD 4.02Å; L302-M404 HydrophobicContact CG-CE 4.45Å; L302-M404 WeakPolarHBondContact O-CE 3.27Å
303	R	71.2	Confident	66.3	Low	82 Å²	82	42 Å²	42	31%	0.309	21%	0.212	S	C	.	.	H	α-helix	trans	-63.8	-49.9	176.1	-75.3	177.8	175.1	166.2	1.7	111.2	L299 H300 F305 R306 E307 E396 E400	L299-R303 HydrophobicContact CD1-CG 4.36Å; L299-R303 WeakPolarHBondContact O-CG 3.37Å; L299-R303 PolarHBondContact O-N 3.14Å; H300-R303 PolarHBondContact O-N 3.25Å; R303-F305 PolarHBondContact O-N 3.22Å; R303-R306 PolarHBondContact O-N 2.9Å; R303-E307 WeakPolarHBondContact O-CB 3.46Å; R303-E307 WeakPolarHBondContact O-CG 3.4Å; R303-E307 PolarHBondContact O-N 2.72Å; R303-E396 IonicContact CZ-OE2 3.77Å; R303-E396 IonicContact NH2-OE1 3.8Å; R303-E396 PolarHBondContact NH2-OE1 3.42Å; R303-E396 IonicContact NH2-OE2 3.66Å; R303-E396 PolarHBondContact NH2-OE2 3.01Å; R303-E400 HydrophobicContact CG-CG 4.08Å
304	S	61.2	Low	64.6	Low	13 Å²	13	39 Å²	39	9%	0.091	22%	0.215	C	C	.	.	H	α-helix	trans	-57.3	-36.6	174.3	-62.7	0	0	0	0	111.1	H300 E307 N308 Y312	H300-S304 PolarHBondContact CE1-OG 3.28Å; H300-S304 PolarHBondContact O-N 3.35Å; H300-S304 PolarHBondContact O-OG 2.85Å; S304-E307 PolarHBondContact O-N 2.78Å; S304-N308 WeakPolarHBondContact O-CB 3.25Å; S304-N308 PolarHBondContact O-N 3.34Å; S304-N308 PolarHBondContact O-ND2 3.17Å; S304-Y312 VanDerWaalsContact C-OH 3.23Å; S304-Y312 WeakPolarHBondContact CB-OH 3.27Å
305	F	61.2	Low	62.7	Low	4 Å²	4	44 Å²	44	2%	0.018	24%	0.238	C	C	.	.	H	α-helix	trans	-65.7	-47.6	178.9	-176.9	-119.1	0	0	0	111.4	P267 N270 E301 L302 R303 N308 S309 G310 Y312 M404	P267-F305 HydrophobicContact CB-CE1 4.49Å; P267-F305 HydrophobicContact CB-CE2 4.17Å; P267-F305 HydrophobicContact CB-CZ 3.5Å; P267-F305 HydrophobicContact CG-CE1 4.02Å; P267-F305 HydrophobicContact CG-CZ 3.48Å; P267-F305 VanDerWaalsContact CG-CZ 3.48Å; N270-F305 HydrophobicContact CB-CE1 4.49Å; N270-F305 HydrophobicContact CB-CZ 4.07Å; N270-F305 WeakPolarHBondContact ND2-CE2 3.26Å; N270-F305 WeakPolarHBondContact ND2-CZ 3.34Å; E301-F305 WeakPolarHBondContact O-CB 3.44Å; E301-F305 PolarHBondContact O-N 3.46Å; L302-F305 WeakPolarHBondContact O-CB 3.31Å; L302-F305 PolarHBondContact O-N 3.12Å; R303-F305 PolarHBondContact O-N 3.22Å; F305-N308 CarbonylContact O-C 3.59Å; F305-N308 PolarHBondContact O-N 2.86Å; F305-S309 PolarHBondContact O-N 3.21Å; F305-G310 WeakPolarHBondContact CE2-O 3.22Å; F305-G310 VanDerWaalsContact CZ-C 3.41Å; F305-G310 VanDerWaalsContact CZ-CA 3.5Å; F305-G310 WeakPolarHBondContact CZ-O 3.34Å; F305-G310 WeakPolarHBondContact O-CA 3.46Å; F305-G310 PolarHBondContact O-N 3.31Å; F305-Y312 WeakPolarHBondContact CA-OH 2.95Å; F305-Y312 HydrophobicContact CB-CD2 4.33Å; F305-Y312 HydrophobicContact CB-CE2 3.49Å; F305-Y312 VanDerWaalsContact CB-CE2 3.49Å; F305-Y312 HydrophobicContact CD2-CD1 4.34Å; F305-Y312 AromaticContact CD2-CD2 3.2Å; F305-Y312 HydrophobicContact CD2-CD2 3.2Å; F305-Y312 HydrophobicContact CD2-CE1 4.39Å; F305-Y312 AromaticContact CD2-CE2 3.28Å; F305-Y312 HydrophobicContact CD2-CE2 3.28Å; F305-Y312 AromaticContact CD2-CG 3.78Å; F305-Y312 HydrophobicContact CD2-CG 3.78Å; F305-Y312 AromaticContact CD2-CZ 3.91Å; F305-Y312 AromaticContact CE2-CD2 3.73Å; F305-Y312 HydrophobicContact CE2-CD2 3.73Å; F305-Y312 HydrophobicContact CE2-CE2 4.22Å; F305-Y312 HydrophobicContact CE2-CG 4.19Å; F305-Y312 HydrophobicContact CG-CD2 4.13Å; F305-Y312 AromaticContact CG-CE2 3.77Å; F305-Y312 HydrophobicContact CG-CE2 3.77Å; F305-Y312 PolarHBondContact N-OH 2.61Å; F305-M404 HydrophobicContact CB-CE 4.32Å; F305-M404 HydrophobicContact CD1-CE 3.72Å; F305-M404 HydrophobicContact CD1-SD 3.87Å; F305-M404 HydrophobicContact CE1-SD 4.27Å
306	R	62.6	Low	60.7	Low	72 Å²	72	44.1 Å²	44.1	27%	0.272	24%	0.239	S	C	.	.	H	α-helix	trans	-62.9	-42.7	176.5	-170.2	-167	68.5	-166.6	-5	112.1	L302 R303 N308 S309 E400 M404	L302-R306 PolarHBondContact O-N 3.45Å; R303-R306 PolarHBondContact O-N 2.9Å; R306-N308 PolarHBondContact O-N 3.45Å; R306-S309 WeakPolarHBondContact O-CA 3.44Å; R306-S309 PolarHBondContact O-N 3.49Å; R306-E400 WeakPolarHBondContact CD-OE2 3.31Å; R306-E400 IonicContact CZ-OE1 3.48Å; R306-E400 IonicContact CZ-OE2 3.34Å; R306-E400 IonicContact NE-OE2 3.23Å; R306-E400 PolarHBondContact NE-OE2 3.35Å; R306-E400 IonicContact NH1-OE1 2.65Å; R306-E400 PolarHBondContact NH1-OE1 2.87Å; R306-E400 IonicContact NH1-OE2 2.78Å; R306-E400 PolarHBondContact NH1-OE2 2.88Å; R306-E400 IonicContact NH2-OE2 3.14Å; R306-M404 HydrophobicContact CB-CE 3.91Å
307	E	57.7	Low	58.9	Low	125 Å²	125	44.4 Å²	44.4	58%	0.584	23%	0.234	S	C	*	.	H	α-helix	trans	-61.7	-27.2	176.8	-74.9	169.4	-172.6	0	0	112.3	R303 S304 S309	R303-E307 WeakPolarHBondContact O-CB 3.46Å; R303-E307 WeakPolarHBondContact O-CG 3.4Å; R303-E307 PolarHBondContact O-N 2.72Å; S304-E307 PolarHBondContact O-N 2.78Å; E307-S309 VanDerWaalsContact C-N 3.29Å
308	N	50.5	Low	56.9	Low	22 Å²	22	47.3 Å²	47.3	12%	0.118	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.5	26.6	171.6	-64.6	-60.6	0	0	0	112.6	K230 S304 F305 R306 G310 C311 T320	K230-N308 PolarHBondContact NZ-OD1 2.83Å; S304-N308 WeakPolarHBondContact O-CB 3.25Å; S304-N308 PolarHBondContact O-N 3.34Å; S304-N308 PolarHBondContact O-ND2 3.17Å; F305-N308 CarbonylContact O-C 3.59Å; F305-N308 PolarHBondContact O-N 2.86Å; R306-N308 PolarHBondContact O-N 3.45Å; N308-G310 PolarHBondContact O-N 3.17Å; N308-G310 VanDerWaalsContact O-N 3.16Å; N308-C311 PolarHBondContact O-N 3.17Å; N308-T320 WeakPolarHBondContact CB-O 3.31Å; N308-T320 PolarHBondContact ND2-O 3.09Å; N308-T320 PolarHBondContact OD1-O 3.39Å
309	S	51.6	Low	54.8	Low	90 Å²	90	48.3 Å²	48.3	63%	0.629	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.2	31.7	176.7	-58.4	0	0	0	0	114.2	F305 R306 E307 C311	F305-S309 PolarHBondContact O-N 3.21Å; R306-S309 WeakPolarHBondContact O-CA 3.44Å; R306-S309 PolarHBondContact O-N 3.49Å; E307-S309 VanDerWaalsContact C-N 3.29Å; S309-C311 VanDerWaalsContact C-N 3.31Å; S309-C311 PolarHBondContact O-N 3.45Å
310	G	50.1	Low	53	Low	6 Å²	6	48.2 Å²	48.2	6%	0.062	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.5	19.3	179.9	0	0	0	0	0	113.8	P267 F305 N308	P267-G310 WeakPolarHBondContact CB-O 3.33Å; P267-G310 WeakPolarHBondContact CG-O 3.47Å; F305-G310 WeakPolarHBondContact CE2-O 3.22Å; F305-G310 VanDerWaalsContact CZ-C 3.41Å; F305-G310 VanDerWaalsContact CZ-CA 3.5Å; F305-G310 WeakPolarHBondContact CZ-O 3.34Å; F305-G310 WeakPolarHBondContact O-CA 3.46Å; F305-G310 PolarHBondContact O-N 3.31Å; N308-G310 PolarHBondContact O-N 3.17Å; N308-G310 VanDerWaalsContact O-N 3.16Å
311	C	47.4	Very low	51.2	Low	36 Å²	36	44.6 Å²	44.6	24%	0.243	24%	0.239	C	C	.	.			trans	-112.3	113.6	178.7	-66.9	0	0	0	0	110	N308 S309 T320	N308-C311 PolarHBondContact O-N 3.17Å; S309-C311 VanDerWaalsContact C-N 3.31Å; S309-C311 PolarHBondContact O-N 3.45Å; C311-T320 WeakPolarHBondContact O-CB 3.37Å
312	Y	48.1	Very low	49.8	Very low	26 Å²	26	46.3 Å²	46.3	10%	0.102	25%	0.247	C	C	.	.			trans	-113.3	119.8	157.2	-71.4	-44.6	0	0	0	107.5	E301 S304 F305 K322	E301-Y312 HydrophobicContact CG-CE2 4.05Å; E301-Y312 PolarHBondContact O-OH 2.75Å; S304-Y312 VanDerWaalsContact C-OH 3.23Å; S304-Y312 WeakPolarHBondContact CB-OH 3.27Å; F305-Y312 WeakPolarHBondContact CA-OH 2.95Å; F305-Y312 HydrophobicContact CB-CD2 4.33Å; F305-Y312 HydrophobicContact CB-CE2 3.49Å; F305-Y312 VanDerWaalsContact CB-CE2 3.49Å; F305-Y312 HydrophobicContact CD2-CD1 4.34Å; F305-Y312 AromaticContact CD2-CD2 3.2Å; F305-Y312 HydrophobicContact CD2-CD2 3.2Å; F305-Y312 HydrophobicContact CD2-CE1 4.39Å; F305-Y312 AromaticContact CD2-CE2 3.28Å; F305-Y312 HydrophobicContact CD2-CE2 3.28Å; F305-Y312 AromaticContact CD2-CG 3.78Å; F305-Y312 HydrophobicContact CD2-CG 3.78Å; F305-Y312 AromaticContact CD2-CZ 3.91Å; F305-Y312 AromaticContact CE2-CD2 3.73Å; F305-Y312 HydrophobicContact CE2-CD2 3.73Å; F305-Y312 HydrophobicContact CE2-CE2 4.22Å; F305-Y312 HydrophobicContact CE2-CG 4.19Å; F305-Y312 HydrophobicContact CG-CD2 4.13Å; F305-Y312 AromaticContact CG-CE2 3.77Å; F305-Y312 HydrophobicContact CG-CE2 3.77Å; F305-Y312 PolarHBondContact N-OH 2.61Å; Y312-K322 HydrophobicContact CD1-CB 3.8Å; Y312-K322 HydrophobicContact CD1-CG 3.97Å; Y312-K322 HydrophobicContact CE1-CB 3.94Å; Y312-K322 HydrophobicContact CE1-CG 4.08Å; Y312-K322 HydrophobicContact CG-CB 4.49Å; Y312-K322 HydrophobicContact CG-CG 4.24Å
313	H	45.7	Very low	48.5	Very low	17 Å²	17	47.3 Å²	47.3	8%	0.079	25%	0.253	C	S	.	.			trans	-93.7	124.9	177.3	-168.6	-109.3	0	0	0	110.1	M219 G223 Q315 S316 E317 T320	M219-H313 PolarHBondContact O-NE2 3.2Å; G223-H313 WeakPolarHBondContact CA-CD2 3.46Å; G223-H313 VanDerWaalsContact CA-CE1 3.41Å; G223-H313 WeakPolarHBondContact CA-CE1 3.29Å; G223-H313 WeakPolarHBondContact CA-ND1 3.44Å; G223-H313 WeakPolarHBondContact CA-NE2 3.26Å; H313-Q315 VanDerWaalsContact CE1-CB 3.48Å; H313-Q315 WeakPolarHBondContact CE1-CB 3.48Å; H313-Q315 PolarHBondContact ND1-N 2.72Å; H313-Q315 PolarHBondContact O-N 2.86Å; H313-Q315 VanDerWaalsContact O-N 3.13Å; H313-S316 PolarHBondContact ND1-N 3.31Å; H313-S316 PolarHBondContact ND1-OG 2.87Å; H313-S316 VanDerWaalsContact ND1-OG 3.14Å; H313-S316 CarbonylContact O-C 3.35Å; H313-S316 PolarHBondContact O-N 3.34Å; H313-E317 WeakPolarHBondContact O-CA 3.41Å; H313-E317 VanDerWaalsContact O-CG 3.22Å; H313-E317 WeakPolarHBondContact O-CG 3.49Å; H313-E317 PolarHBondContact O-N 3.13Å; H313-T320 HydrophobicContact CB-CG2 3.89Å; H313-T320 PolarHBondContact N-OG1 3.31Å
314	G	45.7	Very low	47.3	Very low	60 Å²	60	48.9 Å²	48.9	62%	0.619	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-27.3	-177.3	0	0	0	0	0	113.9
315	Q	41.6	Very low	46.6	Very low	109 Å²	109	56.9 Å²	56.9	51%	0.509	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-13	176.7	-49.4	-163.5	16.6	0	0	114.1	D220 H313	D220-Q315 PolarHBondContact OD1-NE2 2.57Å; D220-Q315 PolarHBondContact OD1-OE1 2.94Å; H313-Q315 VanDerWaalsContact CE1-CB 3.48Å; H313-Q315 WeakPolarHBondContact CE1-CB 3.48Å; H313-Q315 PolarHBondContact ND1-N 2.72Å; H313-Q315 PolarHBondContact O-N 2.86Å; H313-Q315 VanDerWaalsContact O-N 3.13Å
316	S	41.7	Very low	45.8	Very low	3 Å²	3	58.7 Å²	58.7	2%	0.021	32%	0.32	C	S	.	.			trans	-131.7	34.1	-172	-38.5	0	0	0	0	111.7	D123 S227 H313 Y318 L319 T320	D123-S316 PolarHBondContact OD2-OG 3.36Å; S227-S316 WeakPolarHBondContact OG-CB 3.36Å; S227-S316 PolarHBondContact OG-OG 3.5Å; S227-S316 VanDerWaalsContact OG-OG 3.1Å; H313-S316 PolarHBondContact ND1-N 3.31Å; H313-S316 PolarHBondContact ND1-OG 2.87Å; H313-S316 VanDerWaalsContact ND1-OG 3.14Å; H313-S316 CarbonylContact O-C 3.35Å; H313-S316 PolarHBondContact O-N 3.34Å; S316-Y318 PolarHBondContact O-N 3.16Å; S316-Y318 VanDerWaalsContact O-N 3.08Å; S316-L319 PolarHBondContact O-N 3.02Å; S316-T320 PolarHBondContact O-N 3.05Å; S316-T320 VanDerWaalsContact O-N 3.08Å; S316-T320 PolarHBondContact O-OG1 3.2Å
317	E	43.7	Very low	45.1	Very low	66 Å²	66	58.5 Å²	58.5	31%	0.308	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.3	-44.7	-171.6	-65.1	-167.4	155.2	0	0	111.7	H313 L319 T320 G321 K322	H313-E317 WeakPolarHBondContact O-CA 3.41Å; H313-E317 VanDerWaalsContact O-CG 3.22Å; H313-E317 WeakPolarHBondContact O-CG 3.49Å; H313-E317 PolarHBondContact O-N 3.13Å; E317-L319 PolarHBondContact O-N 3.43Å; E317-T320 CarbonylContact O-C 3.52Å; E317-T320 PolarHBondContact O-N 3.05Å; E317-T320 PolarHBondContact O-OG1 3.31Å; E317-G321 PolarHBondContact O-N 3.2Å; E317-K322 HydrophobicContact CB-CB 3.85Å; E317-K322 HydrophobicContact CB-CD 3.75Å; E317-K322 HydrophobicContact CB-CG 4.45Å; E317-K322 VanDerWaalsContact CD-CD 3.46Å; E317-K322 VanDerWaalsContact CD-NZ 3.29Å; E317-K322 HydrophobicContact CG-CD 3.69Å; E317-K322 WeakPolarHBondContact O-CB 3.36Å; E317-K322 PolarHBondContact O-N 3.47Å; E317-K322 IonicContact OE1-NZ 3.25Å; E317-K322 PolarHBondContact OE1-NZ 3.44Å; E317-K322 IonicContact OE2-NZ 2.87Å
318	Y	37.3	Very low	45.2	Very low	134 Å²	134	59 Å²	59	53%	0.525	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-43.2	179.1	-77.2	-82	0	0	0	114.2	P119 S316 G321	P119-Y318 HydrophobicContact CB-CD2 4.04Å; P119-Y318 HydrophobicContact CB-CE2 4.14Å; P119-Y318 HydrophobicContact CB-CG 4.26Å; P119-Y318 HydrophobicContact CG-CD1 3.69Å; P119-Y318 HydrophobicContact CG-CD2 3.95Å; P119-Y318 HydrophobicContact CG-CE1 4.02Å; P119-Y318 HydrophobicContact CG-CE2 4.27Å; P119-Y318 HydrophobicContact CG-CG 3.65Å; S316-Y318 PolarHBondContact O-N 3.16Å; S316-Y318 VanDerWaalsContact O-N 3.08Å; Y318-G321 PolarHBondContact O-N 3.34Å
319	L	36.7	Very low	45.8	Very low	21 Å²	21	58.2 Å²	58.2	11%	0.11	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-33.9	-178.4	-70.8	178.6	0	0	0	111.5	F118 T122 D123 A126 K230 V231 S316 E317 G321	F118-L319 HydrophobicContact CE1-CD2 4.18Å; T122-L319 HydrophobicContact CG2-CD1 3.21Å; T122-L319 HydrophobicContact CG2-CD2 4.17Å; T122-L319 HydrophobicContact CG2-CG 3.63Å; D123-L319 WeakPolarHBondContact OD2-CD1 3.39Å; A126-L319 HydrophobicContact CB-CD1 3.05Å; K230-L319 VanDerWaalsContact CG-O 3.31Å; K230-L319 WeakPolarHBondContact CG-O 3.35Å; V231-L319 HydrophobicContact CG2-CD1 4.06Å; V231-L319 HydrophobicContact CG2-CD2 3.75Å; S316-L319 PolarHBondContact O-N 3.02Å; E317-L319 PolarHBondContact O-N 3.43Å; L319-G321 PolarHBondContact O-N 3.07Å; L319-G321 VanDerWaalsContact O-N 3.1Å
320	T	42	Very low	46.4	Very low	7 Å²	7	60.2 Å²	60.2	4%	0.043	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	10.7	169.2	59.4	0	0	0	0	113.4	N308 C311 H313 S316 E317 K322	N308-T320 WeakPolarHBondContact CB-O 3.31Å; N308-T320 PolarHBondContact ND2-O 3.09Å; N308-T320 PolarHBondContact OD1-O 3.39Å; C311-T320 WeakPolarHBondContact O-CB 3.37Å; H313-T320 HydrophobicContact CB-CG2 3.89Å; H313-T320 PolarHBondContact N-OG1 3.31Å; S316-T320 PolarHBondContact O-N 3.05Å; S316-T320 VanDerWaalsContact O-N 3.08Å; S316-T320 PolarHBondContact O-OG1 3.2Å; E317-T320 CarbonylContact O-C 3.52Å; E317-T320 PolarHBondContact O-N 3.05Å; E317-T320 PolarHBondContact O-OG1 3.31Å; T320-K322 VanDerWaalsContact C-N 3.27Å; T320-K322 PolarHBondContact O-N 3.06Å
321	G	36.9	Very low	47.4	Very low	31 Å²	31	61.3 Å²	61.3	32%	0.32	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.8	24.6	174.4	0	0	0	0	0	114.3	E317 Y318 L319 P323	E317-G321 PolarHBondContact O-N 3.2Å; Y318-G321 PolarHBondContact O-N 3.34Å; L319-G321 PolarHBondContact O-N 3.07Å; L319-G321 VanDerWaalsContact O-N 3.1Å; G321-P323 WeakPolarHBondContact O-CD 3.48Å
322	K	41.5	Very low	48.7	Very low	46 Å²	46	59.6 Å²	59.6	20%	0.2	32%	0.315	C	S	.	.			trans	-66.6	124.5	174.9	-158.9	-176	-173.8	-176.7	0	108.7	Y312 E317 T320 C326	Y312-K322 HydrophobicContact CD1-CB 3.8Å; Y312-K322 HydrophobicContact CD1-CG 3.97Å; Y312-K322 HydrophobicContact CE1-CB 3.94Å; Y312-K322 HydrophobicContact CE1-CG 4.08Å; Y312-K322 HydrophobicContact CG-CB 4.49Å; Y312-K322 HydrophobicContact CG-CG 4.24Å; E317-K322 HydrophobicContact CB-CB 3.85Å; E317-K322 HydrophobicContact CB-CD 3.75Å; E317-K322 HydrophobicContact CB-CG 4.45Å; E317-K322 VanDerWaalsContact CD-CD 3.46Å; E317-K322 VanDerWaalsContact CD-NZ 3.29Å; E317-K322 HydrophobicContact CG-CD 3.69Å; E317-K322 WeakPolarHBondContact O-CB 3.36Å; E317-K322 PolarHBondContact O-N 3.47Å; E317-K322 IonicContact OE1-NZ 3.25Å; E317-K322 PolarHBondContact OE1-NZ 3.44Å; E317-K322 IonicContact OE2-NZ 2.87Å; T320-K322 VanDerWaalsContact C-N 3.27Å; T320-K322 PolarHBondContact O-N 3.06Å; K322-C326 WeakPolarHBondContact CE-SG 3.28Å
323	P	44.3	Very low	49.9	Very low	23 Å²	23	58.4 Å²	58.4	15%	0.149	31%	0.31	C	S	.	.			trans	-62.9	140	-176.6	20	-29.1	0	0	0	111.8	G321 K325 C326	G321-P323 WeakPolarHBondContact O-CD 3.48Å; P323-K325 PolarHBondContact O-N 3.11Å; P323-C326 PolarHBondContact O-N 3.05Å; P323-C326 PolarHBondContact O-SG 3.1Å
324	P	45.9	Very low	51.3	Low	116 Å²	116	61.3 Å²	61.3	75%	0.753	33%	0.326	S	S	*	.	S	Bend	trans	-64.9	-25.7	-172.2	22.2	-32.2	0	0	0	113.7	C326	P324-C326 PolarHBondContact O-N 3.12Å
325	K	45.7	Very low	52.9	Low	180 Å²	180	59.9 Å²	59.9	78%	0.783	30%	0.303	S	S	*	.	S	Bend	trans	-93.1	74.8	168	-70.7	-175.5	179.8	-179.4	0	108.5	P323 L327	P323-K325 PolarHBondContact O-N 3.11Å; K325-L327 PolarHBondContact O-N 3.34Å
326	C	45.3	Very low	54.7	Low	43 Å²	43	54.7 Å²	54.7	29%	0.291	28%	0.279	S	S	.	.			trans	-63.4	88.6	167.1	-70.8	0	0	0	0	108.8	K322 P323 P324 K328	K322-C326 WeakPolarHBondContact CE-SG 3.28Å; P323-C326 PolarHBondContact O-N 3.05Å; P323-C326 PolarHBondContact O-SG 3.1Å; P324-C326 PolarHBondContact O-N 3.12Å; C326-K328 PolarHBondContact O-N 2.83Å
327	L	48.4	Very low	56.3	Low	67 Å²	67	55.8 Å²	55.8	35%	0.351	29%	0.286	S	S	.	.			trans	-70.9	70.3	149	-101.3	163.7	0	0	0	106.9	E294 H297 K325 L329	E294-L327 HydrophobicContact CG-CD2 4.41Å; H297-L327 HydrophobicContact CB-CB 4.14Å; H297-L327 HydrophobicContact CB-CD1 4.07Å; H297-L327 WeakPolarHBondContact ND1-CD1 3.08Å; K325-L327 PolarHBondContact O-N 3.34Å; L327-L329 PolarHBondContact O-N 3.03Å
328	K	59.3	Low	57.9	Low	135 Å²	135	52.8 Å²	52.8	59%	0.587	27%	0.273	S	S	*	.			trans	0.4	86.5	167.7	-60.6	174	-176.7	-177.4	0	111.6	C326 E330 S331 F332	C326-K328 PolarHBondContact O-N 2.83Å; K328-E330 CarbonylContact O-C 3.54Å; K328-E330 PolarHBondContact O-N 3.48Å; K328-S331 CarbonylContact O-C 3.54Å; K328-S331 WeakPolarHBondContact O-CA 3.44Å; K328-S331 VanDerWaalsContact O-CB 3.31Å; K328-S331 WeakPolarHBondContact O-CB 3.43Å; K328-S331 PolarHBondContact O-N 2.85Å; K328-F332 PolarHBondContact O-N 2.73Å
329	L	64	Low	59.7	Low	7 Å²	7	46.4 Å²	46.4	4%	0.037	25%	0.248	C	C	.	.	H	α-helix	trans	-45.1	-38.7	165.1	179.3	67.6	0	0	0	109.6	I273 F277 V298 E301 L302 L327 F332 C333	I273-L329 HydrophobicContact CG2-CD2 4.33Å; I273-L329 HydrophobicContact CG2-CG 4.39Å; F277-L329 HydrophobicContact CE2-CD1 3.91Å; F277-L329 HydrophobicContact CZ-CD1 3.98Å; V298-L329 HydrophobicContact CG1-CD1 3.96Å; V298-L329 HydrophobicContact CG2-CD1 4.48Å; E301-L329 VanDerWaalsContact CD-CB 3.47Å; E301-L329 HydrophobicContact CG-CB 4.36Å; E301-L329 VanDerWaalsContact OE1-CB 3.28Å; E301-L329 WeakPolarHBondContact OE1-CB 3.44Å; E301-L329 PolarHBondContact OE2-N 3.41Å; L302-L329 HydrophobicContact CD2-CD2 4.47Å; L327-L329 PolarHBondContact O-N 3.03Å; L329-F332 PolarHBondContact O-N 3.36Å; L329-C333 VanDerWaalsContact O-CB 3.22Å; L329-C333 WeakPolarHBondContact O-CB 3.33Å; L329-C333 PolarHBondContact O-N 3.45Å; L329-C333 PolarHBondContact O-SG 3.22Å
330	E	62.7	Low	61.4	Low	132 Å²	132	49.7 Å²	49.7	62%	0.617	26%	0.259	S	S	*	.	H	α-helix	trans	-57.6	-44.8	170.4	-166.5	-174.8	176.4	0	0	114.3	K328 C333 N334	K328-E330 CarbonylContact O-C 3.54Å; K328-E330 PolarHBondContact O-N 3.48Å; E330-C333 CarbonylContact O-C 3.38Å; E330-C333 PolarHBondContact O-N 3.18Å; E330-N334 VanDerWaalsContact O-CB 3.25Å; E330-N334 WeakPolarHBondContact O-CB 3.37Å; E330-N334 PolarHBondContact O-N 3Å; E330-N334 PolarHBondContact O-ND2 2.86Å; E330-N334 VanDerWaalsContact O-ND2 3.15Å
331	S	70.7	Confident	62.9	Low	29 Å²	29	56.8 Å²	56.8	20%	0.203	29%	0.285	C	S	.	.	H	α-helix	trans	-64.2	-46.1	174.6	-179.3	0	0	0	0	111.4	K328 C333 N334 K335	K328-S331 CarbonylContact O-C 3.54Å; K328-S331 WeakPolarHBondContact O-CA 3.44Å; K328-S331 VanDerWaalsContact O-CB 3.31Å; K328-S331 WeakPolarHBondContact O-CB 3.43Å; K328-S331 PolarHBondContact O-N 2.85Å; S331-C333 VanDerWaalsContact C-N 3.26Å; S331-C333 PolarHBondContact O-N 3.33Å; S331-N334 WeakPolarHBondContact O-CB 3.09Å; S331-N334 PolarHBondContact O-N 3.2Å; S331-N334 VanDerWaalsContact O-N 3.17Å; S331-K335 VanDerWaalsContact O-CG 3.31Å; S331-K335 WeakPolarHBondContact O-CG 3.47Å; S331-K335 PolarHBondContact O-N 3.44Å
332	F	76.2	Confident	64.4	Low	0 Å²	0	55.8 Å²	55.8	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-59.2	-43.1	175.8	-177.3	-95.2	0	0	0	110.7	F277 M286 W289 E294 I295 V298 K328 L329 K335 L336	F277-F332 HydrophobicContact CE1-CD1 4.1Å; F277-F332 AromaticContact CE1-CE1 3.54Å; F277-F332 HydrophobicContact CE1-CE1 3.54Å; F277-F332 AromaticContact CZ-CD1 3.69Å; F277-F332 HydrophobicContact CZ-CD1 3.69Å; F277-F332 AromaticContact CZ-CE1 3.64Å; F277-F332 HydrophobicContact CZ-CE1 3.64Å; M286-F332 HydrophobicContact CE-CE1 3.87Å; M286-F332 HydrophobicContact CE-CZ 3.73Å; M286-F332 HydrophobicContact CG-CZ 4.09Å; M286-F332 HydrophobicContact SD-CE1 4.46Å; M286-F332 HydrophobicContact SD-CZ 4.43Å; W289-F332 AromaticContact CD2-CE2 3.75Å; W289-F332 HydrophobicContact CD2-CE2 3.75Å; W289-F332 HydrophobicContact CD2-CZ 4.34Å; W289-F332 AromaticContact CE2-CD2 3.79Å; W289-F332 AromaticContact CE2-CE2 3.26Å; W289-F332 HydrophobicContact CE3-CE2 4.29Å; W289-F332 HydrophobicContact CG-CE2 4.23Å; W289-F332 HydrophobicContact CH2-CD2 4.22Å; W289-F332 AromaticContact CH2-CE2 3.87Å; W289-F332 HydrophobicContact CH2-CE2 3.87Å; W289-F332 HydrophobicContact CH2-CZ 4.29Å; W289-F332 AromaticContact CZ2-CD2 3.48Å; W289-F332 HydrophobicContact CZ2-CD2 3.48Å; W289-F332 VanDerWaalsContact CZ2-CD2 3.48Å; W289-F332 AromaticContact CZ2-CE2 3.29Å; W289-F332 HydrophobicContact CZ2-CE2 3.29Å; W289-F332 HydrophobicContact CZ2-CG 4.46Å; W289-F332 HydrophobicContact CZ2-CZ 4.14Å; W289-F332 HydrophobicContact CZ3-CE2 4.37Å; W289-F332 AromaticContact NE1-CE2 3.6Å; E294-F332 HydrophobicContact CG-CD2 3.86Å; I295-F332 HydrophobicContact CD1-CE2 3.44Å; I295-F332 VanDerWaalsContact CD1-CE2 3.44Å; I295-F332 HydrophobicContact CD1-CZ 3.44Å; I295-F332 VanDerWaalsContact CD1-CZ 3.44Å; V298-F332 HydrophobicContact CG1-CD1 4.41Å; V298-F332 HydrophobicContact CG1-CE1 4.44Å; V298-F332 HydrophobicContact CG2-CB 3.96Å; V298-F332 HydrophobicContact CG2-CD1 3.68Å; V298-F332 HydrophobicContact CG2-CD2 3.86Å; V298-F332 HydrophobicContact CG2-CE1 4.12Å; V298-F332 HydrophobicContact CG2-CE2 4.28Å; V298-F332 HydrophobicContact CG2-CG 3.54Å; V298-F332 HydrophobicContact CG2-CZ 4.43Å; K328-F332 PolarHBondContact O-N 2.73Å; L329-F332 PolarHBondContact O-N 3.36Å; F332-K335 WeakPolarHBondContact O-CB 3.46Å; F332-K335 PolarHBondContact O-N 3.42Å; F332-L336 HydrophobicContact CD1-CD1 3.73Å; F332-L336 HydrophobicContact CD1-CG 4.21Å; F332-L336 HydrophobicContact CE1-CD1 3.15Å; F332-L336 HydrophobicContact CE1-CG 3.75Å; F332-L336 HydrophobicContact CZ-CD1 3.85Å; F332-L336 HydrophobicContact CZ-CG 4.06Å; F332-L336 WeakPolarHBondContact O-CB 3.4Å; F332-L336 PolarHBondContact O-N 2.84Å
333	C	73.2	Confident	65.6	Low	1 Å²	1	56 Å²	56	1%	0.007	28%	0.275	C	S	.	.	H	α-helix	trans	-67.5	-34.3	175.3	-68.7	0	0	0	0	112.9	I273 L329 E330 S331 L336 S337	I273-C333 HydrophobicContact CD1-CB 4.15Å; I273-C333 HydrophobicContact CG1-CB 3.95Å; I273-C333 WeakPolarHBondContact CG2-SG 3.43Å; L329-C333 VanDerWaalsContact O-CB 3.22Å; L329-C333 WeakPolarHBondContact O-CB 3.33Å; L329-C333 PolarHBondContact O-N 3.45Å; L329-C333 PolarHBondContact O-SG 3.22Å; E330-C333 CarbonylContact O-C 3.38Å; E330-C333 PolarHBondContact O-N 3.18Å; S331-C333 VanDerWaalsContact C-N 3.26Å; S331-C333 PolarHBondContact O-N 3.33Å; C333-L336 PolarHBondContact O-N 3.4Å; C333-S337 WeakPolarHBondContact O-CA 3.4Å; C333-S337 WeakPolarHBondContact O-CB 3.38Å; C333-S337 PolarHBondContact O-N 2.74Å; C333-S337 PolarHBondContact O-OG 2.94Å
334	N	73.8	Confident	66.7	Low	78 Å²	78	57.6 Å²	57.6	42%	0.417	28%	0.284	S	S	.	.	H	α-helix	trans	-67.1	-42.4	173.8	-76.9	-29.2	0	0	0	110.8	E330 S331 S337 A338	E330-N334 VanDerWaalsContact O-CB 3.25Å; E330-N334 WeakPolarHBondContact O-CB 3.37Å; E330-N334 PolarHBondContact O-N 3Å; E330-N334 PolarHBondContact O-ND2 2.86Å; E330-N334 VanDerWaalsContact O-ND2 3.15Å; S331-N334 WeakPolarHBondContact O-CB 3.09Å; S331-N334 PolarHBondContact O-N 3.2Å; S331-N334 VanDerWaalsContact O-N 3.17Å; N334-S337 PolarHBondContact O-N 3.48Å; N334-A338 WeakPolarHBondContact O-CB 3.16Å; N334-A338 PolarHBondContact O-N 3.44Å
335	K	80	Confident	68	Low	29 Å²	29	55.8 Å²	55.8	13%	0.126	27%	0.268	C	S	.	.	H	α-helix	trans	-60.4	-50.9	172	-68.5	172.4	175.8	176.3	0	110.7	W289 E294 S331 F332 S337 A338 F339 F359 F361	W289-K335 HydrophobicContact CH2-CB 3.61Å; W289-K335 HydrophobicContact CH2-CD 4.34Å; W289-K335 HydrophobicContact CZ2-CB 3.86Å; W289-K335 HydrophobicContact CZ2-CD 3.71Å; W289-K335 HydrophobicContact CZ2-CG 4.45Å; E294-K335 IonicContact OE1-NZ 2.72Å; E294-K335 PolarHBondContact OE1-NZ 3.17Å; E294-K335 IonicContact OE2-NZ 2.62Å; E294-K335 PolarHBondContact OE2-NZ 2.72Å; S331-K335 VanDerWaalsContact O-CG 3.31Å; S331-K335 WeakPolarHBondContact O-CG 3.47Å; S331-K335 PolarHBondContact O-N 3.44Å; F332-K335 WeakPolarHBondContact O-CB 3.46Å; F332-K335 PolarHBondContact O-N 3.42Å; K335-S337 VanDerWaalsContact C-N 3.34Å; K335-S337 PolarHBondContact O-N 3.15Å; K335-A338 WeakPolarHBondContact O-CB 3.3Å; K335-A338 PolarHBondContact O-N 3.4Å; K335-F339 WeakPolarHBondContact O-CD2 3.41Å; K335-F339 PolarHBondContact O-N 3.38Å; K335-F359 HydrophobicContact CB-CD2 4.29Å; K335-F359 HydrophobicContact CD-CB 4.35Å; K335-F359 HydrophobicContact CD-CG 4.5Å; K335-F359 HydrophobicContact CG-CB 3.91Å; K335-F359 HydrophobicContact CG-CD1 3.96Å; K335-F359 HydrophobicContact CG-CD2 3.75Å; K335-F359 HydrophobicContact CG-CE1 4.39Å; K335-F359 HydrophobicContact CG-CE2 4.18Å; K335-F359 HydrophobicContact CG-CG 3.63Å; K335-F359 HydrophobicContact CG-CZ 4.49Å; K335-F361 HydrophobicContact CB-CE2 4.31Å; K335-F361 HydrophobicContact CD-CE2 4.22Å; K335-F361 HydrophobicContact CG-CE2 4.33Å
336	L	78.5	Confident	69	Low	1 Å²	1	51 Å²	51	1%	0.005	26%	0.256	C	S	.	.	H	α-helix	trans	-62.2	-39.7	177.1	-81.3	-178.7	0	0	0	112.8	L276 F277 T282 W289 F332 C333 A338 F339 Y340	L276-L336 HydrophobicContact CD2-CB 3.6Å; L276-L336 HydrophobicContact CD2-CD1 4.32Å; L276-L336 HydrophobicContact CG-CB 4.3Å; F277-L336 HydrophobicContact CD1-CD1 4.4Å; F277-L336 HydrophobicContact CE1-CD1 3.98Å; F277-L336 HydrophobicContact CZ-CD1 4.3Å; T282-L336 HydrophobicContact CG2-CD1 3.49Å; T282-L336 VanDerWaalsContact CG2-CD1 3.49Å; T282-L336 HydrophobicContact CG2-CD2 3.81Å; T282-L336 HydrophobicContact CG2-CG 4.23Å; W289-L336 HydrophobicContact CE3-CD2 4.38Å; W289-L336 HydrophobicContact CH2-CD2 3.96Å; W289-L336 HydrophobicContact CH2-CG 3.99Å; W289-L336 HydrophobicContact CZ3-CD2 3.53Å; W289-L336 HydrophobicContact CZ3-CG 4.09Å; F332-L336 HydrophobicContact CD1-CD1 3.73Å; F332-L336 HydrophobicContact CD1-CG 4.21Å; F332-L336 HydrophobicContact CE1-CD1 3.15Å; F332-L336 HydrophobicContact CE1-CG 3.75Å; F332-L336 HydrophobicContact CZ-CD1 3.85Å; F332-L336 HydrophobicContact CZ-CG 4.06Å; F332-L336 WeakPolarHBondContact O-CB 3.4Å; F332-L336 PolarHBondContact O-N 2.84Å; C333-L336 PolarHBondContact O-N 3.4Å; L336-A338 VanDerWaalsContact C-N 3.31Å; L336-F339 WeakPolarHBondContact O-CB 3.36Å; L336-F339 PolarHBondContact O-N 3Å; L336-Y340 WeakPolarHBondContact O-CB 3.4Å; L336-Y340 PolarHBondContact O-N 2.8Å
337	S	76.4	Confident	70.5	Confident	25 Å²	25	52.9 Å²	52.9	18%	0.175	28%	0.282	C	S	.	.	H	α-helix	trans	-66.2	-37.3	176.8	-68.4	0	0	0	0	110.5	L276 C333 N334 K335 Y340 R341	L276-S337 WeakPolarHBondContact CD2-OG 3.35Å; C333-S337 WeakPolarHBondContact O-CA 3.4Å; C333-S337 WeakPolarHBondContact O-CB 3.38Å; C333-S337 PolarHBondContact O-N 2.74Å; C333-S337 PolarHBondContact O-OG 2.94Å; N334-S337 PolarHBondContact O-N 3.48Å; K335-S337 VanDerWaalsContact C-N 3.34Å; K335-S337 PolarHBondContact O-N 3.15Å; S337-Y340 PolarHBondContact O-N 2.78Å; S337-R341 VanDerWaalsContact O-CB 3.29Å; S337-R341 WeakPolarHBondContact O-CB 3.38Å; S337-R341 VanDerWaalsContact O-CG 3.28Å; S337-R341 WeakPolarHBondContact O-CG 3.26Å; S337-R341 PolarHBondContact O-N 3.06Å
338	A	76.9	Confident	71.8	Confident	3 Å²	3	53.5 Å²	53.5	3%	0.025	29%	0.285	C	S	.	.	H	α-helix	trans	-63.5	-41.9	172.5	0	0	0	0	0	111.4	N334 K335 L336 R341 A342 M355 L356 F359	N334-A338 WeakPolarHBondContact O-CB 3.16Å; N334-A338 PolarHBondContact O-N 3.44Å; K335-A338 WeakPolarHBondContact O-CB 3.3Å; K335-A338 PolarHBondContact O-N 3.4Å; L336-A338 VanDerWaalsContact C-N 3.31Å; A338-R341 PolarHBondContact O-N 2.92Å; A338-A342 VanDerWaalsContact O-CB 3.3Å; A338-A342 WeakPolarHBondContact O-CB 3.23Å; A338-A342 PolarHBondContact O-N 3.5Å; A338-M355 HydrophobicContact CB-CG 4.35Å; A338-M355 HydrophobicContact CB-SD 3.83Å; A338-L356 HydrophobicContact CB-CD2 3.69Å; A338-L356 HydrophobicContact CB-CG 4.31Å; A338-F359 HydrophobicContact CB-CE2 4.12Å
339	F	75	Confident	72.3	Confident	1 Å²	1	50.2 Å²	50.2	0%	0.004	27%	0.269	C	S	.	.	H	α-helix	trans	-59.7	-48.6	171.1	-92.1	-77	0	0	0	112.1	L285 W289 K335 L336 R341 A342 K343 L356 F361 F365 L366 F369	L285-F339 HydrophobicContact CD1-CB 4.01Å; L285-F339 HydrophobicContact CD1-CD1 4.42Å; L285-F339 HydrophobicContact CD1-CG 4.3Å; L285-F339 HydrophobicContact CD2-CD1 4.34Å; W289-F339 HydrophobicContact CZ3-CD2 4.23Å; W289-F339 HydrophobicContact CZ3-CE2 4.3Å; K335-F339 WeakPolarHBondContact O-CD2 3.41Å; K335-F339 PolarHBondContact O-N 3.38Å; L336-F339 WeakPolarHBondContact O-CB 3.36Å; L336-F339 PolarHBondContact O-N 3Å; F339-R341 PolarHBondContact O-N 3.38Å; F339-A342 WeakPolarHBondContact O-CB 3.47Å; F339-A342 PolarHBondContact O-N 3.39Å; F339-K343 VanDerWaalsContact O-CB 3.24Å; F339-K343 WeakPolarHBondContact O-CB 3.45Å; F339-K343 PolarHBondContact O-N 3.45Å; F339-L356 HydrophobicContact CD1-CD1 3.98Å; F339-L356 HydrophobicContact CD2-CD1 4.3Å; F339-L356 HydrophobicContact CD2-CD2 3.47Å; F339-L356 VanDerWaalsContact CD2-CD2 3.47Å; F339-L356 HydrophobicContact CE1-CD1 3.91Å; F339-L356 HydrophobicContact CE2-CD1 4.21Å; F339-L356 HydrophobicContact CE2-CD2 3.45Å; F339-L356 VanDerWaalsContact CE2-CD2 3.45Å; F339-L356 HydrophobicContact CE2-CG 4.37Å; F339-L356 HydrophobicContact CG-CD1 4.16Å; F339-L356 HydrophobicContact CG-CD2 4.07Å; F339-L356 HydrophobicContact CZ-CD1 4.02Å; F339-L356 HydrophobicContact CZ-CD2 4.06Å; F339-F361 HydrophobicContact CD2-CZ 4.37Å; F339-F361 AromaticContact CE2-CD1 3.57Å; F339-F361 HydrophobicContact CE2-CD1 3.57Å; F339-F361 AromaticContact CE2-CD2 3.86Å; F339-F361 HydrophobicContact CE2-CD2 3.86Å; F339-F361 AromaticContact CE2-CE1 3.35Å; F339-F361 HydrophobicContact CE2-CE1 3.35Å; F339-F361 AromaticContact CE2-CE2 3.68Å; F339-F361 HydrophobicContact CE2-CE2 3.68Å; F339-F361 AromaticContact CE2-CG 3.83Å; F339-F361 HydrophobicContact CE2-CG 3.83Å; F339-F361 AromaticContact CE2-CZ 3.44Å; F339-F361 HydrophobicContact CE2-CZ 3.44Å; F339-F361 VanDerWaalsContact CE2-CZ 3.44Å; F339-F361 HydrophobicContact CZ-CB 4.47Å; F339-F361 AromaticContact CZ-CD1 3.44Å; F339-F361 HydrophobicContact CZ-CD1 3.44Å; F339-F361 VanDerWaalsContact CZ-CD1 3.44Å; F339-F361 HydrophobicContact CZ-CD2 4.26Å; F339-F361 AromaticContact CZ-CE1 3.65Å; F339-F361 HydrophobicContact CZ-CE1 3.65Å; F339-F361 HydrophobicContact CZ-CE2 4.45Å; F339-F361 AromaticContact CZ-CG 3.78Å; F339-F361 HydrophobicContact CZ-CG 3.78Å; F339-F361 HydrophobicContact CZ-CZ 4.19Å; F339-F365 HydrophobicContact CE1-CD1 4.37Å; F339-F365 AromaticContact CE1-CE1 3.71Å; F339-F365 HydrophobicContact CE1-CE1 3.71Å; F339-F365 HydrophobicContact CZ-CD1 4.22Å; F339-F365 AromaticContact CZ-CE1 3.7Å; F339-F365 HydrophobicContact CZ-CE1 3.7Å; F339-L366 HydrophobicContact CE1-CD2 3.71Å; F339-L366 HydrophobicContact CZ-CD2 3.65Å; F339-F369 HydrophobicContact CD1-CD1 4.39Å; F339-F369 HydrophobicContact CD1-CE1 4.2Å
340	Y	72.9	Confident	72.9	Confident	90 Å²	90	55.5 Å²	55.5	35%	0.353	30%	0.302	S	S	.	.	H	α-helix	trans	-63.6	-40.9	-179.5	-175.8	-97.9	0	0	0	111.8	L276 N279 L336 S337 K343 T344	L276-Y340 HydrophobicContact CD1-CD2 4.41Å; L276-Y340 HydrophobicContact CD1-CG 4.04Å; N279-Y340 WeakPolarHBondContact ND2-CE2 3.38Å; L336-Y340 WeakPolarHBondContact O-CB 3.4Å; L336-Y340 PolarHBondContact O-N 2.8Å; S337-Y340 PolarHBondContact O-N 2.78Å; Y340-K343 CarbonylContact O-C 3.59Å; Y340-K343 PolarHBondContact O-N 2.68Å; Y340-T344 HydrophobicContact CD1-CG2 4.14Å; Y340-T344 HydrophobicContact CE1-CG2 3.63Å; Y340-T344 HydrophobicContact CE2-CG2 4.07Å; Y340-T344 WeakPolarHBondContact O-CB 3.35Å; Y340-T344 WeakPolarHBondContact O-CG2 3.26Å; Y340-T344 PolarHBondContact O-N 3.29Å; Y340-T344 PolarHBondContact O-OG1 3.14Å
341	R	72.6	Confident	73.7	Confident	155 Å²	155	57.8 Å²	57.8	59%	0.585	30%	0.304	S	S	*	.	H	α-helix	trans	-64	-46.3	173.6	-77.5	178.8	-177.8	178.9	2.3	111.7	S337 A338 F339 K343 T344 N345	S337-R341 VanDerWaalsContact O-CB 3.29Å; S337-R341 WeakPolarHBondContact O-CB 3.38Å; S337-R341 VanDerWaalsContact O-CG 3.28Å; S337-R341 WeakPolarHBondContact O-CG 3.26Å; S337-R341 PolarHBondContact O-N 3.06Å; A338-R341 PolarHBondContact O-N 2.92Å; F339-R341 PolarHBondContact O-N 3.38Å; R341-K343 PolarHBondContact O-N 3.16Å; R341-T344 WeakPolarHBondContact CA-OG1 3.49Å; R341-T344 PolarHBondContact O-N 3.37Å; R341-T344 VanDerWaalsContact O-N 3.1Å; R341-T344 PolarHBondContact O-OG1 3.31Å; R341-N345 PolarHBondContact O-N 3.04Å
342	A	69.4	Low	74	Confident	10 Å²	10	56.7 Å²	56.7	8%	0.083	30%	0.297	C	S	.	.	H	α-helix	trans	-56	-36.8	173.6	0	0	0	0	0	111.1	A338 F339 C352 L356 R373	A338-A342 VanDerWaalsContact O-CB 3.3Å; A338-A342 WeakPolarHBondContact O-CB 3.23Å; A338-A342 PolarHBondContact O-N 3.5Å; F339-A342 WeakPolarHBondContact O-CB 3.47Å; F339-A342 PolarHBondContact O-N 3.39Å; A342-C352 HydrophobicContact CB-CB 3.59Å; A342-L356 HydrophobicContact CB-CD1 4.37Å; A342-R373 PolarHBondContact O-NH1 3.49Å
343	K	67.4	Low	74.1	Confident	51 Å²	51	58.5 Å²	58.5	22%	0.222	31%	0.305	C	S	.	.	H	α-helix	trans	-85.6	-9.2	179.9	-161	-139.3	165.5	-178	0	115	V281 F339 Y340 R341 F369 R373	V281-K343 HydrophobicContact CG1-CD 3.74Å; F339-K343 VanDerWaalsContact O-CB 3.24Å; F339-K343 WeakPolarHBondContact O-CB 3.45Å; F339-K343 PolarHBondContact O-N 3.45Å; Y340-K343 CarbonylContact O-C 3.59Å; Y340-K343 PolarHBondContact O-N 2.68Å; R341-K343 PolarHBondContact O-N 3.16Å; K343-F369 HydrophobicContact CB-CE1 4.21Å; K343-F369 HydrophobicContact CB-CZ 4.29Å; K343-F369 HydrophobicContact CD-CZ 4.4Å; K343-F369 HydrophobicContact CG-CE1 4.21Å; K343-F369 HydrophobicContact CG-CZ 3.99Å; K343-R373 HydrophobicContact CG-CG 4.47Å; K343-R373 PolarHBondContact O-NE 3.49Å; K343-R373 PolarHBondContact O-NH1 3Å; K343-R373 PolarHBondContact O-NH2 2.94Å
344	T	67.3	Low	74.6	Confident	56 Å²	56	65.4 Å²	65.4	34%	0.344	34%	0.335	S	S	.	.	H	α-helix	trans	-106.3	-32.5	175.5	43.1	0	0	0	0	111.2	Y340 R341 P346 R373	Y340-T344 HydrophobicContact CD1-CG2 4.14Å; Y340-T344 HydrophobicContact CE1-CG2 3.63Å; Y340-T344 HydrophobicContact CE2-CG2 4.07Å; Y340-T344 WeakPolarHBondContact O-CB 3.35Å; Y340-T344 WeakPolarHBondContact O-CG2 3.26Å; Y340-T344 PolarHBondContact O-N 3.29Å; Y340-T344 PolarHBondContact O-OG1 3.14Å; R341-T344 WeakPolarHBondContact CA-OG1 3.49Å; R341-T344 PolarHBondContact O-N 3.37Å; R341-T344 VanDerWaalsContact O-N 3.1Å; R341-T344 PolarHBondContact O-OG1 3.31Å; T344-P346 WeakPolarHBondContact O-CD 3.47Å; T344-R373 PolarHBondContact O-NH2 3.26Å
345	N	72.5	Confident	75	Confident	79 Å²	79	64.9 Å²	64.9	42%	0.422	33%	0.331	S	S	.	.			trans	-122.3	89.1	-173.3	-66.4	-75.9	0	0	0	111.5	R341 G347 L348	R341-N345 PolarHBondContact O-N 3.04Å; N345-G347 PolarHBondContact O-N 3.44Å; N345-L348 HydrophobicContact CB-CB 4.32Å; N345-L348 HydrophobicContact CB-CD1 3.96Å; N345-L348 HydrophobicContact CB-CG 4.18Å; N345-L348 PolarHBondContact O-N 2.72Å; N345-L348 VanDerWaalsContact O-N 3.12Å
346	P	67.6	Low	74.9	Confident	80 Å²	80	63.5 Å²	63.5	52%	0.519	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-57.8	-35.1	-179.8	-18.4	28.7	0	0	0	113.1	T344 L348 W349	T344-P346 WeakPolarHBondContact O-CD 3.47Å; P346-L348 PolarHBondContact O-N 3.25Å; P346-W349 WeakPolarHBondContact O-CB 3.36Å; P346-W349 PolarHBondContact O-N 2.99Å
347	G	75.9	Confident	75	Confident	81 Å²	81	67.3 Å²	67.3	84%	0.835	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-64.4	-18.5	179.4	0	0	0	0	0	114.6	N345 W349	N345-G347 PolarHBondContact O-N 3.44Å; G347-W349 VanDerWaalsContact C-N 3.31Å
348	L	74.8	Confident	75.4	Confident	80 Å²	80	71.4 Å²	71.4	42%	0.419	36%	0.361	S	S	.	.	G	3₁₀ helix	trans	-92.6	9.9	175.8	-63.6	178	0	0	0	112.7	N345 P346 T350 R351 C352	N345-L348 HydrophobicContact CB-CB 4.32Å; N345-L348 HydrophobicContact CB-CD1 3.96Å; N345-L348 HydrophobicContact CB-CG 4.18Å; N345-L348 PolarHBondContact O-N 2.72Å; N345-L348 VanDerWaalsContact O-N 3.12Å; P346-L348 PolarHBondContact O-N 3.25Å; L348-T350 PolarHBondContact O-N 2.88Å; L348-R351 WeakPolarHBondContact O-CB 3.32Å; L348-R351 PolarHBondContact O-N 3.05Å; L348-R351 VanDerWaalsContact O-N 3.14Å; L348-C352 PolarHBondContact O-N 3.33Å
349	W	70.5	Confident	75.5	Confident	67 Å²	67	73.9 Å²	73.9	25%	0.254	37%	0.371	S	S	.	.	H	α-helix	trans	-52.6	-56	-172.2	167	-122.6	0	0	0	113.3	P346 G347 R351 C352 K353 I370	P346-W349 WeakPolarHBondContact O-CB 3.36Å; P346-W349 PolarHBondContact O-N 2.99Å; G347-W349 VanDerWaalsContact C-N 3.31Å; W349-R351 PolarHBondContact O-N 3.3Å; W349-R351 VanDerWaalsContact O-N 3.12Å; W349-C352 CarbonylContact O-C 3.37Å; W349-C352 PolarHBondContact O-N 3.34Å; W349-K353 HydrophobicContact CD2-CB 4.23Å; W349-K353 HydrophobicContact CE3-CB 4.23Å; W349-K353 HydrophobicContact CH2-CB 3.24Å; W349-K353 HydrophobicContact CH2-CD 3.81Å; W349-K353 HydrophobicContact CH2-CG 3.28Å; W349-K353 HydrophobicContact CZ2-CB 3.37Å; W349-K353 HydrophobicContact CZ2-CD 3.26Å; W349-K353 HydrophobicContact CZ2-CG 3.31Å; W349-K353 HydrophobicContact CZ3-CB 3.77Å; W349-K353 HydrophobicContact CZ3-CG 4.26Å; W349-K353 PolarHBondContact O-N 3.26Å; W349-I370 HydrophobicContact CD2-CD1 4.21Å; W349-I370 HydrophobicContact CE3-CD1 3.94Å; W349-I370 HydrophobicContact CE3-CG1 4.2Å; W349-I370 HydrophobicContact CH2-CD1 2.88Å; W349-I370 HydrophobicContact CH2-CG1 3.87Å; W349-I370 HydrophobicContact CZ2-CD1 3.08Å; W349-I370 HydrophobicContact CZ2-CG1 4.27Å; W349-I370 HydrophobicContact CZ3-CD1 3.31Å; W349-I370 HydrophobicContact CZ3-CG1 3.78Å
350	T	77.4	Confident	75.6	Confident	117 Å²	117	84.8 Å²	84.8	72%	0.718	41%	0.413	S	S	*	.	H	α-helix	trans	-56.7	-36.7	-176.6	-47.1	0	0	0	0	111.6	L348 K354	L348-T350 PolarHBondContact O-N 2.88Å; T350-K354 WeakPolarHBondContact O-CB 3.43Å; T350-K354 PolarHBondContact O-N 3.37Å
351	R	79.7	Confident	75.8	Confident	180 Å²	180	81 Å²	81	68%	0.679	40%	0.398	S	S	*	.	H	α-helix	trans	-70.8	-44.1	176.1	-171.7	177.8	-179.2	176.5	1.1	111.7	L348 W349 M355	L348-R351 WeakPolarHBondContact O-CB 3.32Å; L348-R351 PolarHBondContact O-N 3.05Å; L348-R351 VanDerWaalsContact O-N 3.14Å; W349-R351 PolarHBondContact O-N 3.3Å; W349-R351 VanDerWaalsContact O-N 3.12Å; R351-M355 WeakPolarHBondContact O-CB 3.34Å; R351-M355 PolarHBondContact O-N 3.46Å
352	C	76	Confident	76.1	Confident	7 Å²	7	75.6 Å²	75.6	5%	0.047	39%	0.391	C	S	.	.	H	α-helix	trans	-69.1	-41.7	178.1	-72.5	0	0	0	0	113.1	A342 L348 W349 K354 M355 L356	A342-C352 HydrophobicContact CB-CB 3.59Å; L348-C352 PolarHBondContact O-N 3.33Å; W349-C352 CarbonylContact O-C 3.37Å; W349-C352 PolarHBondContact O-N 3.34Å; C352-K354 VanDerWaalsContact C-N 3.3Å; C352-K354 PolarHBondContact O-N 3.22Å; C352-M355 PolarHBondContact O-N 3.02Å; C352-L356 WeakPolarHBondContact O-CB 3.44Å; C352-L356 WeakPolarHBondContact O-CG 3.35Å; C352-L356 PolarHBondContact O-N 2.84Å
353	K	78.2	Confident	76.5	Confident	38 Å²	38	79.2 Å²	79.2	17%	0.165	41%	0.406	C	S	.	.	H	α-helix	trans	-54	-50.3	173	-165.4	-177.9	-153.6	-168.9	0	109.8	W349 M355 L356 K357 E363 E367	W349-K353 HydrophobicContact CD2-CB 4.23Å; W349-K353 HydrophobicContact CE3-CB 4.23Å; W349-K353 HydrophobicContact CH2-CB 3.24Å; W349-K353 HydrophobicContact CH2-CD 3.81Å; W349-K353 HydrophobicContact CH2-CG 3.28Å; W349-K353 HydrophobicContact CZ2-CB 3.37Å; W349-K353 HydrophobicContact CZ2-CD 3.26Å; W349-K353 HydrophobicContact CZ2-CG 3.31Å; W349-K353 HydrophobicContact CZ3-CB 3.77Å; W349-K353 HydrophobicContact CZ3-CG 4.26Å; W349-K353 PolarHBondContact O-N 3.26Å; K353-M355 VanDerWaalsContact C-N 3.34Å; K353-M355 PolarHBondContact O-N 3.26Å; K353-L356 PolarHBondContact O-N 3.23Å; K353-K357 WeakPolarHBondContact O-CB 3.29Å; K353-K357 WeakPolarHBondContact O-CG 3.43Å; K353-K357 PolarHBondContact O-N 2.92Å; K353-E363 IonicContact NZ-OE1 3.96Å; K353-E363 PolarHBondContact NZ-OE1 2.74Å; K353-E367 IonicContact NZ-OE1 2.78Å; K353-E367 PolarHBondContact NZ-OE1 2.73Å
354	K	83.2	Confident	76.7	Confident	145 Å²	145	85.1 Å²	85.1	63%	0.63	44%	0.435	S	S	*	.	H	α-helix	trans	-60.8	-43.6	179.4	-171.7	175.1	-178.8	177.1	0	111.6	T350 C352 K357 N358	T350-K354 WeakPolarHBondContact O-CB 3.43Å; T350-K354 PolarHBondContact O-N 3.37Å; C352-K354 VanDerWaalsContact C-N 3.3Å; C352-K354 PolarHBondContact O-N 3.22Å; K354-K357 PolarHBondContact O-N 3.44Å; K354-N358 PolarHBondContact O-N 3.32Å; K354-N358 PolarHBondContact O-OD1 3.33Å
355	M	82	Confident	77.2	Confident	67 Å²	67	83.9 Å²	83.9	33%	0.33	43%	0.425	S	S	.	.	H	α-helix	trans	-63.9	-43.9	177.5	-169.1	178.5	-66.3	0	0	112.4	A338 R351 C352 K353 N358 F359	A338-M355 HydrophobicContact CB-CG 4.35Å; A338-M355 HydrophobicContact CB-SD 3.83Å; R351-M355 WeakPolarHBondContact O-CB 3.34Å; R351-M355 PolarHBondContact O-N 3.46Å; C352-M355 PolarHBondContact O-N 3.02Å; K353-M355 VanDerWaalsContact C-N 3.34Å; K353-M355 PolarHBondContact O-N 3.26Å; M355-N358 WeakPolarHBondContact O-CB 3.3Å; M355-N358 PolarHBondContact O-N 2.92Å; M355-F359 HydrophobicContact CG-CD2 4.27Å; M355-F359 HydrophobicContact CG-CE2 3.64Å; M355-F359 HydrophobicContact CG-CZ 4.17Å; M355-F359 WeakPolarHBondContact O-CD2 3.4Å; M355-F359 WeakPolarHBondContact O-CG 3.35Å; M355-F359 PolarHBondContact O-N 2.99Å; M355-F359 VanDerWaalsContact O-N 3.14Å; M355-F359 HydrophobicContact SD-CE2 4.3Å
356	L	79.2	Confident	77.5	Confident	1 Å²	1	80.2 Å²	80.2	1%	0.005	41%	0.405	C	S	.	.	H	α-helix	trans	-69.9	-36.5	178.3	-67.5	174.3	0	0	0	112.3	A338 F339 A342 C352 K353 N358 F359 W360 F361 L366	A338-L356 HydrophobicContact CB-CD2 3.69Å; A338-L356 HydrophobicContact CB-CG 4.31Å; F339-L356 HydrophobicContact CD1-CD1 3.98Å; F339-L356 HydrophobicContact CD2-CD1 4.3Å; F339-L356 HydrophobicContact CD2-CD2 3.47Å; F339-L356 VanDerWaalsContact CD2-CD2 3.47Å; F339-L356 HydrophobicContact CE1-CD1 3.91Å; F339-L356 HydrophobicContact CE2-CD1 4.21Å; F339-L356 HydrophobicContact CE2-CD2 3.45Å; F339-L356 VanDerWaalsContact CE2-CD2 3.45Å; F339-L356 HydrophobicContact CE2-CG 4.37Å; F339-L356 HydrophobicContact CG-CD1 4.16Å; F339-L356 HydrophobicContact CG-CD2 4.07Å; F339-L356 HydrophobicContact CZ-CD1 4.02Å; F339-L356 HydrophobicContact CZ-CD2 4.06Å; A342-L356 HydrophobicContact CB-CD1 4.37Å; C352-L356 WeakPolarHBondContact O-CB 3.44Å; C352-L356 WeakPolarHBondContact O-CG 3.35Å; C352-L356 PolarHBondContact O-N 2.84Å; K353-L356 PolarHBondContact O-N 3.23Å; L356-N358 VanDerWaalsContact C-N 3.32Å; L356-N358 PolarHBondContact O-N 3.29Å; L356-F359 HydrophobicContact CD2-CD2 4.25Å; L356-F359 CarbonylContact O-C 3.52Å; L356-F359 WeakPolarHBondContact O-CA 3.43Å; L356-F359 WeakPolarHBondContact O-CB 3.44Å; L356-F359 PolarHBondContact O-N 3.29Å; L356-W360 PolarHBondContact O-N 3.05Å; L356-F361 HydrophobicContact CB-CD2 4.47Å; L356-F361 HydrophobicContact CD2-CD2 4.37Å; L356-F361 WeakPolarHBondContact O-CD2 3.28Å; L356-F361 PolarHBondContact O-N 3.1Å; L356-L366 HydrophobicContact CB-CD1 3.98Å; L356-L366 HydrophobicContact CB-CD2 3.82Å; L356-L366 HydrophobicContact CD1-CD2 3.63Å; L356-L366 HydrophobicContact CG-CD2 4.33Å
357	K	81.3	Confident	77.7	Confident	81 Å²	81	80.1 Å²	80.1	35%	0.352	40%	0.398	S	S	.	.	H	α-helix	trans	-60.1	-41.5	169.8	-78.5	-170.3	174.5	-161.4	0	111.8	K353 K354 F359 W360 E363 L366	K353-K357 WeakPolarHBondContact O-CB 3.29Å; K353-K357 WeakPolarHBondContact O-CG 3.43Å; K353-K357 PolarHBondContact O-N 2.92Å; K354-K357 PolarHBondContact O-N 3.44Å; K357-F359 PolarHBondContact O-N 2.74Å; K357-W360 WeakPolarHBondContact O-CA 3.24Å; K357-W360 PolarHBondContact O-N 3.5Å; K357-E363 VanDerWaalsContact CE-OE1 3.26Å; K357-E363 WeakPolarHBondContact CE-OE1 3.37Å; K357-E363 IonicContact NZ-OE1 2.71Å; K357-E363 PolarHBondContact NZ-OE1 3.3Å; K357-E363 IonicContact NZ-OE2 2.73Å; K357-E363 PolarHBondContact NZ-OE2 2.86Å; K357-L366 HydrophobicContact CG-CD1 4.06Å
358	N	82.9	Confident	77.6	Confident	111 Å²	111	76.8 Å²	76.8	59%	0.594	36%	0.363	S	S	*	.	H	α-helix	trans	-65.2	-21.6	174.6	-67.9	-6.5	0	0	0	112.8	K354 M355 L356 W360	K354-N358 PolarHBondContact O-N 3.32Å; K354-N358 PolarHBondContact O-OD1 3.33Å; M355-N358 WeakPolarHBondContact O-CB 3.3Å; M355-N358 PolarHBondContact O-N 2.92Å; L356-N358 VanDerWaalsContact C-N 3.32Å; L356-N358 PolarHBondContact O-N 3.29Å; N358-W360 VanDerWaalsContact C-N 3.26Å
359	F	79.6	Confident	77.6	Confident	54 Å²	54	73.3 Å²	73.3	24%	0.237	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	13.3	170.4	-63.2	-43.6	0	0	0	113.6	K335 A338 M355 L356 K357 F361	K335-F359 HydrophobicContact CB-CD2 4.29Å; K335-F359 HydrophobicContact CD-CB 4.35Å; K335-F359 HydrophobicContact CD-CG 4.5Å; K335-F359 HydrophobicContact CG-CB 3.91Å; K335-F359 HydrophobicContact CG-CD1 3.96Å; K335-F359 HydrophobicContact CG-CD2 3.75Å; K335-F359 HydrophobicContact CG-CE1 4.39Å; K335-F359 HydrophobicContact CG-CE2 4.18Å; K335-F359 HydrophobicContact CG-CG 3.63Å; K335-F359 HydrophobicContact CG-CZ 4.49Å; A338-F359 HydrophobicContact CB-CE2 4.12Å; M355-F359 HydrophobicContact CG-CD2 4.27Å; M355-F359 HydrophobicContact CG-CE2 3.64Å; M355-F359 HydrophobicContact CG-CZ 4.17Å; M355-F359 WeakPolarHBondContact O-CD2 3.4Å; M355-F359 WeakPolarHBondContact O-CG 3.35Å; M355-F359 PolarHBondContact O-N 2.99Å; M355-F359 VanDerWaalsContact O-N 3.14Å; M355-F359 HydrophobicContact SD-CE2 4.3Å; L356-F359 HydrophobicContact CD2-CD2 4.25Å; L356-F359 CarbonylContact O-C 3.52Å; L356-F359 WeakPolarHBondContact O-CA 3.43Å; L356-F359 WeakPolarHBondContact O-CB 3.44Å; L356-F359 PolarHBondContact O-N 3.29Å; K357-F359 PolarHBondContact O-N 2.74Å; F359-F361 VanDerWaalsContact C-N 3.33Å; F359-F361 HydrophobicContact CB-CD2 3.81Å; F359-F361 HydrophobicContact CB-CE2 3.83Å; F359-F361 PolarHBondContact O-N 2.98Å
360	W	77.9	Confident	77.5	Confident	231 Å²	231	71.8 Å²	71.8	88%	0.875	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.1	25.5	174	-53.8	77.8	0	0	0	114.8	L356 K357 N358	L356-W360 PolarHBondContact O-N 3.05Å; K357-W360 WeakPolarHBondContact O-CA 3.24Å; K357-W360 PolarHBondContact O-N 3.5Å; N358-W360 VanDerWaalsContact C-N 3.26Å
361	F	77.4	Confident	77.1	Confident	9 Å²	9	72.8 Å²	72.8	4%	0.039	34%	0.338	C	S	.	.			trans	-76.7	132.5	170.2	-72.8	-89.5	0	0	0	111	W289 P290 K335 F339 L356 F359 F365 L366	W289-F361 HydrophobicContact CD2-CE1 4.26Å; W289-F361 HydrophobicContact CD2-CZ 4.13Å; W289-F361 AromaticContact CE2-CZ 3.83Å; W289-F361 HydrophobicContact CE3-CE1 4.06Å; W289-F361 HydrophobicContact CE3-CZ 4.05Å; W289-F361 HydrophobicContact CH2-CE1 4.32Å; W289-F361 HydrophobicContact CH2-CE2 4.39Å; W289-F361 AromaticContact CH2-CZ 3.53Å; W289-F361 HydrophobicContact CH2-CZ 3.53Å; W289-F361 HydrophobicContact CZ2-CE1 4.48Å; W289-F361 HydrophobicContact CZ2-CE2 4.42Å; W289-F361 AromaticContact CZ2-CZ 3.58Å; W289-F361 HydrophobicContact CZ2-CZ 3.58Å; W289-F361 HydrophobicContact CZ3-CE1 4.05Å; W289-F361 AromaticContact CZ3-CZ 3.72Å; W289-F361 HydrophobicContact CZ3-CZ 3.72Å; P290-F361 HydrophobicContact CG-CD1 3.77Å; P290-F361 HydrophobicContact CG-CE1 3.53Å; P290-F361 HydrophobicContact CG-CZ 4.15Å; K335-F361 HydrophobicContact CB-CE2 4.31Å; K335-F361 HydrophobicContact CD-CE2 4.22Å; K335-F361 HydrophobicContact CG-CE2 4.33Å; F339-F361 HydrophobicContact CD2-CZ 4.37Å; F339-F361 AromaticContact CE2-CD1 3.57Å; F339-F361 HydrophobicContact CE2-CD1 3.57Å; F339-F361 AromaticContact CE2-CD2 3.86Å; F339-F361 HydrophobicContact CE2-CD2 3.86Å; F339-F361 AromaticContact CE2-CE1 3.35Å; F339-F361 HydrophobicContact CE2-CE1 3.35Å; F339-F361 AromaticContact CE2-CE2 3.68Å; F339-F361 HydrophobicContact CE2-CE2 3.68Å; F339-F361 AromaticContact CE2-CG 3.83Å; F339-F361 HydrophobicContact CE2-CG 3.83Å; F339-F361 AromaticContact CE2-CZ 3.44Å; F339-F361 HydrophobicContact CE2-CZ 3.44Å; F339-F361 VanDerWaalsContact CE2-CZ 3.44Å; F339-F361 HydrophobicContact CZ-CB 4.47Å; F339-F361 AromaticContact CZ-CD1 3.44Å; F339-F361 HydrophobicContact CZ-CD1 3.44Å; F339-F361 VanDerWaalsContact CZ-CD1 3.44Å; F339-F361 HydrophobicContact CZ-CD2 4.26Å; F339-F361 AromaticContact CZ-CE1 3.65Å; F339-F361 HydrophobicContact CZ-CE1 3.65Å; F339-F361 HydrophobicContact CZ-CE2 4.45Å; F339-F361 AromaticContact CZ-CG 3.78Å; F339-F361 HydrophobicContact CZ-CG 3.78Å; F339-F361 HydrophobicContact CZ-CZ 4.19Å; L356-F361 HydrophobicContact CB-CD2 4.47Å; L356-F361 HydrophobicContact CD2-CD2 4.37Å; L356-F361 WeakPolarHBondContact O-CD2 3.28Å; L356-F361 PolarHBondContact O-N 3.1Å; F359-F361 VanDerWaalsContact C-N 3.33Å; F359-F361 HydrophobicContact CB-CD2 3.81Å; F359-F361 HydrophobicContact CB-CE2 3.83Å; F359-F361 PolarHBondContact O-N 2.98Å; F361-F365 HydrophobicContact CD1-CD1 4.31Å; F361-F365 HydrophobicContact CD1-CE1 4.39Å; F361-L366 HydrophobicContact CB-CD1 4Å; F361-L366 HydrophobicContact CB-CD2 3.97Å; F361-L366 HydrophobicContact CB-CG 3.99Å
362	G	77.6	Confident	76.5	Confident	43 Å²	43	64.6 Å²	64.6	44%	0.443	31%	0.308	S	S	.	.			trans	-62.2	143.7	177.9	0	0	0	0	0	112.6	E364 F365 L366	G362-E364 PolarHBondContact O-N 2.9Å; G362-F365 PolarHBondContact O-N 3.12Å; G362-L366 WeakPolarHBondContact O-CG 3.26Å; G362-L366 PolarHBondContact O-N 3.14Å; G362-L366 VanDerWaalsContact O-N 3.16Å
363	E	78.1	Confident	76.1	Confident	86 Å²	86	67.1 Å²	67.1	40%	0.402	32%	0.317	S	S	.	.	H	α-helix	trans	-64.2	-42.2	-175.6	-173.5	142.5	-143.4	0	0	112.3	K353 K357 F365 L366 E367	K353-E363 IonicContact NZ-OE1 3.96Å; K353-E363 PolarHBondContact NZ-OE1 2.74Å; K357-E363 VanDerWaalsContact CE-OE1 3.26Å; K357-E363 WeakPolarHBondContact CE-OE1 3.37Å; K357-E363 IonicContact NZ-OE1 2.71Å; K357-E363 PolarHBondContact NZ-OE1 3.3Å; K357-E363 IonicContact NZ-OE2 2.73Å; K357-E363 PolarHBondContact NZ-OE2 2.86Å; E363-F365 PolarHBondContact O-N 3.27Å; E363-L366 PolarHBondContact O-N 3.4Å; E363-E367 HydrophobicContact CG-CG 4.39Å; E363-E367 WeakPolarHBondContact O-CB 3.43Å; E363-E367 WeakPolarHBondContact O-CG 3.44Å; E363-E367 PolarHBondContact O-N 3.2Å
364	E	72.7	Confident	75.6	Confident	175 Å²	175	71.4 Å²	71.4	82%	0.818	34%	0.341	S	S	*	.	H	α-helix	trans	-59.3	-43.8	176.7	-67.4	-177.1	166	0	0	112.6	G362 L366 E367 G368	G362-E364 PolarHBondContact O-N 2.9Å; E364-L366 PolarHBondContact O-N 3.46Å; E364-E367 PolarHBondContact O-N 3.34Å; E364-G368 PolarHBondContact O-N 3.31Å
365	F	77.4	Confident	74.8	Confident	30 Å²	30	66.9 Å²	66.9	13%	0.132	33%	0.331	C	S	.	.	H	α-helix	trans	-62.8	-44.7	177.8	178.1	-95.7	0	0	0	111.2	L285 F339 F361 G362 E363 F369 F381	L285-F365 HydrophobicContact CD2-CZ 4.27Å; F339-F365 HydrophobicContact CE1-CD1 4.37Å; F339-F365 AromaticContact CE1-CE1 3.71Å; F339-F365 HydrophobicContact CE1-CE1 3.71Å; F339-F365 HydrophobicContact CZ-CD1 4.22Å; F339-F365 AromaticContact CZ-CE1 3.7Å; F339-F365 HydrophobicContact CZ-CE1 3.7Å; F361-F365 HydrophobicContact CD1-CD1 4.31Å; F361-F365 HydrophobicContact CD1-CE1 4.39Å; G362-F365 PolarHBondContact O-N 3.12Å; E363-F365 PolarHBondContact O-N 3.27Å; F365-F369 VanDerWaalsContact O-CB 3.22Å; F365-F369 WeakPolarHBondContact O-CB 3.42Å; F365-F369 PolarHBondContact O-N 3.46Å; F365-F381 HydrophobicContact CE2-CE1 4.48Å
366	L	77.4	Confident	74.3	Confident	2 Å²	2	70.2 Å²	70.2	1%	0.01	36%	0.355	C	S	.	.	H	α-helix	trans	-63.8	-49	179	-68	176	0	0	0	110.9	F339 L356 K357 F361 G362 E363 E364 F369 I370	F339-L366 HydrophobicContact CE1-CD2 3.71Å; F339-L366 HydrophobicContact CZ-CD2 3.65Å; L356-L366 HydrophobicContact CB-CD1 3.98Å; L356-L366 HydrophobicContact CB-CD2 3.82Å; L356-L366 HydrophobicContact CD1-CD2 3.63Å; L356-L366 HydrophobicContact CG-CD2 4.33Å; K357-L366 HydrophobicContact CG-CD1 4.06Å; F361-L366 HydrophobicContact CB-CD1 4Å; F361-L366 HydrophobicContact CB-CD2 3.97Å; F361-L366 HydrophobicContact CB-CG 3.99Å; G362-L366 WeakPolarHBondContact O-CG 3.26Å; G362-L366 PolarHBondContact O-N 3.14Å; G362-L366 VanDerWaalsContact O-N 3.16Å; E363-L366 PolarHBondContact O-N 3.4Å; E364-L366 PolarHBondContact O-N 3.46Å; L366-F369 PolarHBondContact O-N 2.78Å; L366-I370 WeakPolarHBondContact O-CD1 3.16Å; L366-I370 WeakPolarHBondContact O-CG1 2.91Å; L366-I370 PolarHBondContact O-N 2.86Å
367	E	73.1	Confident	73.8	Confident	78 Å²	78	76.9 Å²	76.9	36%	0.364	38%	0.38	S	S	.	.	H	α-helix	trans	-59.9	-51.7	-179.8	-75.2	179.3	176.9	0	0	112.1	K353 E363 E364 F369 I370 E371	K353-E367 IonicContact NZ-OE1 2.78Å; K353-E367 PolarHBondContact NZ-OE1 2.73Å; E363-E367 HydrophobicContact CG-CG 4.39Å; E363-E367 WeakPolarHBondContact O-CB 3.43Å; E363-E367 WeakPolarHBondContact O-CG 3.44Å; E363-E367 PolarHBondContact O-N 3.2Å; E364-E367 PolarHBondContact O-N 3.34Å; E367-F369 VanDerWaalsContact C-N 3.31Å; E367-F369 PolarHBondContact O-N 2.88Å; E367-I370 PolarHBondContact O-N 3.33Å; E367-E371 WeakPolarHBondContact O-CG 3.23Å; E367-E371 PolarHBondContact O-N 3.34Å
368	G	73.3	Confident	73.2	Confident	11 Å²	11	74 Å²	74	11%	0.113	37%	0.369	C	S	.	.	H	α-helix	trans	-63.1	-35.8	178.2	0	0	0	0	0	113.2	E364 I370 S372 F381	E364-G368 PolarHBondContact O-N 3.31Å; G368-I370 PolarHBondContact O-N 2.69Å; G368-S372 VanDerWaalsContact O-CB 3.23Å; G368-S372 WeakPolarHBondContact O-CB 3.43Å; G368-S372 PolarHBondContact O-N 2.78Å; G368-S372 PolarHBondContact O-OG 3.48Å; G368-F381 WeakPolarHBondContact O-CD2 3.46Å; G368-F381 WeakPolarHBondContact O-CG 3.35Å
369	F	74.5	Confident	72.5	Confident	7 Å²	7	75.8 Å²	75.8	3%	0.031	37%	0.372	C	S	.	.	H	α-helix	trans	-61.4	-35.2	174.7	179.1	-101.4	0	0	0	111.9	L285 F339 K343 F365 L366 E367 S372 R373 V378 F381	L285-F369 HydrophobicContact CD1-CZ 4.45Å; L285-F369 HydrophobicContact CD2-CD2 3.93Å; L285-F369 HydrophobicContact CD2-CE2 3.5Å; L285-F369 VanDerWaalsContact CD2-CE2 3.5Å; L285-F369 HydrophobicContact CD2-CZ 4.06Å; L285-F369 HydrophobicContact CG-CE2 4.33Å; F339-F369 HydrophobicContact CD1-CD1 4.39Å; F339-F369 HydrophobicContact CD1-CE1 4.2Å; K343-F369 HydrophobicContact CB-CE1 4.21Å; K343-F369 HydrophobicContact CB-CZ 4.29Å; K343-F369 HydrophobicContact CD-CZ 4.4Å; K343-F369 HydrophobicContact CG-CE1 4.21Å; K343-F369 HydrophobicContact CG-CZ 3.99Å; F365-F369 VanDerWaalsContact O-CB 3.22Å; F365-F369 WeakPolarHBondContact O-CB 3.42Å; F365-F369 PolarHBondContact O-N 3.46Å; L366-F369 PolarHBondContact O-N 2.78Å; E367-F369 VanDerWaalsContact C-N 3.31Å; E367-F369 PolarHBondContact O-N 2.88Å; F369-S372 PolarHBondContact O-OG 2.88Å; F369-R373 PolarHBondContact O-N 3.18Å; F369-V378 HydrophobicContact CD2-CG1 4.07Å; F369-V378 HydrophobicContact CE2-CG1 3.52Å; F369-V378 HydrophobicContact CZ-CG1 4.36Å; F369-F381 VanDerWaalsContact CA-CE1 3.46Å; F369-F381 HydrophobicContact CB-CD1 4.33Å; F369-F381 HydrophobicContact CB-CE1 3.82Å; F369-F381 HydrophobicContact CB-CZ 4.47Å; F369-F381 VanDerWaalsContact N-CE1 3.29Å; F369-F381 VanDerWaalsContact N-CZ 3.25Å
370	I	69	Low	72.2	Confident	35 Å²	35	77.6 Å²	77.6	18%	0.179	38%	0.381	C	S	.	.	H	α-helix	trans	-80.1	-46	-178.6	-60.2	144	0	0	0	111.7	W349 L366 E367 G368 S372 R373 N374	W349-I370 HydrophobicContact CD2-CD1 4.21Å; W349-I370 HydrophobicContact CE3-CD1 3.94Å; W349-I370 HydrophobicContact CE3-CG1 4.2Å; W349-I370 HydrophobicContact CH2-CD1 2.88Å; W349-I370 HydrophobicContact CH2-CG1 3.87Å; W349-I370 HydrophobicContact CZ2-CD1 3.08Å; W349-I370 HydrophobicContact CZ2-CG1 4.27Å; W349-I370 HydrophobicContact CZ3-CD1 3.31Å; W349-I370 HydrophobicContact CZ3-CG1 3.78Å; L366-I370 WeakPolarHBondContact O-CD1 3.16Å; L366-I370 WeakPolarHBondContact O-CG1 2.91Å; L366-I370 PolarHBondContact O-N 2.86Å; E367-I370 PolarHBondContact O-N 3.33Å; G368-I370 PolarHBondContact O-N 2.69Å; I370-S372 PolarHBondContact O-N 2.84Å; I370-R373 WeakPolarHBondContact O-CA 3.22Å; I370-R373 VanDerWaalsContact O-CB 3.31Å; I370-R373 WeakPolarHBondContact O-CB 3.36Å; I370-R373 PolarHBondContact O-N 2.95Å; I370-N374 PolarHBondContact O-N 3.24Å
371	E	68.9	Low	72.1	Confident	137 Å²	137	67.9 Å²	67.9	64%	0.64	35%	0.345	S	S	*	.	H	α-helix	trans	-55.8	-43.4	176.6	-71.4	180	172.8	0	0	109.9	E367 R373 N374 A375	E367-E371 WeakPolarHBondContact O-CG 3.23Å; E367-E371 PolarHBondContact O-N 3.34Å; E371-R373 VanDerWaalsContact C-N 3.28Å; E371-R373 PolarHBondContact O-N 3.18Å; E371-N374 PolarHBondContact O-N 3.25Å; E371-A375 PolarHBondContact O-N 3.29Å
372	S	67.4	Low	71.9	Confident	9 Å²	9	67.8 Å²	67.8	6%	0.063	35%	0.345	C	S	.	.	H	α-helix	trans	-63.5	-31.7	174.5	80.9	0	0	0	0	113.3	G368 F369 I370 A375 V376 R377 V378 F381	G368-S372 VanDerWaalsContact O-CB 3.23Å; G368-S372 WeakPolarHBondContact O-CB 3.43Å; G368-S372 PolarHBondContact O-N 2.78Å; G368-S372 PolarHBondContact O-OG 3.48Å; F369-S372 PolarHBondContact O-OG 2.88Å; I370-S372 PolarHBondContact O-N 2.84Å; S372-A375 PolarHBondContact O-N 2.96Å; S372-V376 CarbonylContact O-C 3.58Å; S372-V376 PolarHBondContact O-N 3.05Å; S372-V376 VanDerWaalsContact O-N 3.13Å; S372-R377 CarbonylContact O-C 3.59Å; S372-R377 WeakPolarHBondContact O-CA 3.39Å; S372-R377 PolarHBondContact O-N 2.95Å; S372-V378 PolarHBondContact O-N 3.45Å; S372-V378 WeakPolarHBondContact OG-CA 3.42Å; S372-F381 WeakPolarHBondContact OG-CB 3.46Å
373	R	67	Low	71.6	Confident	60 Å²	60	72.2 Å²	72.2	23%	0.226	36%	0.358	C	S	.	.	H	α-helix	trans	-69.2	-45.9	175.7	-174.9	-166.3	169.9	-167.1	-3.6	111.7	A342 K343 T344 F369 I370 E371 A375 V376 V378	A342-R373 PolarHBondContact O-NH1 3.49Å; K343-R373 HydrophobicContact CG-CG 4.47Å; K343-R373 PolarHBondContact O-NE 3.49Å; K343-R373 PolarHBondContact O-NH1 3Å; K343-R373 PolarHBondContact O-NH2 2.94Å; T344-R373 PolarHBondContact O-NH2 3.26Å; F369-R373 PolarHBondContact O-N 3.18Å; I370-R373 WeakPolarHBondContact O-CA 3.22Å; I370-R373 VanDerWaalsContact O-CB 3.31Å; I370-R373 WeakPolarHBondContact O-CB 3.36Å; I370-R373 PolarHBondContact O-N 2.95Å; E371-R373 VanDerWaalsContact C-N 3.28Å; E371-R373 PolarHBondContact O-N 3.18Å; R373-A375 PolarHBondContact O-N 3.22Å; R373-V376 PolarHBondContact O-N 3.42Å; R373-V378 HydrophobicContact CB-CG2 4Å; R373-V378 HydrophobicContact CG-CG2 4.46Å
374	N	67.7	Low	71.6	Confident	127 Å²	127	77.5 Å²	77.5	68%	0.679	37%	0.374	S	S	*	.	H	α-helix	trans	-59.2	-29.8	179.2	-71	-16.8	0	0	0	111.4	I370 E371	I370-N374 PolarHBondContact O-N 3.24Å; E371-N374 PolarHBondContact O-N 3.25Å
375	A	66.6	Low	71.8	Confident	51 Å²	51	72.3 Å²	72.3	42%	0.421	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	0.2	173.8	0	0	0	0	0	114.9	E371 S372 R373 R377	E371-A375 PolarHBondContact O-N 3.29Å; S372-A375 PolarHBondContact O-N 2.96Å; R373-A375 PolarHBondContact O-N 3.22Å; A375-R377 HydrophobicContact CB-CB 4.23Å; A375-R377 HydrophobicContact CB-CG 4.03Å; A375-R377 WeakPolarHBondContact O-CG 3.01Å; A375-R377 PolarHBondContact O-N 3.37Å
376	V	70.8	Confident	71.8	Confident	137 Å²	137	76.4 Å²	76.4	83%	0.83	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.7	25.8	-172.8	-162.8	0	0	0	0	112.9	S372 R373	S372-V376 CarbonylContact O-C 3.58Å; S372-V376 PolarHBondContact O-N 3.05Å; S372-V376 VanDerWaalsContact O-N 3.13Å; R373-V376 PolarHBondContact O-N 3.42Å
377	R	69.7	Low	72	Confident	140 Å²	140	79.7 Å²	79.7	53%	0.528	40%	0.399	S	S	.	.			trans	-106.2	23.3	-177.1	-70.6	176.4	-170.8	-164.8	3.4	113.9	S372 A375 K379 E380 F381	S372-R377 CarbonylContact O-C 3.59Å; S372-R377 WeakPolarHBondContact O-CA 3.39Å; S372-R377 PolarHBondContact O-N 2.95Å; A375-R377 HydrophobicContact CB-CB 4.23Å; A375-R377 HydrophobicContact CB-CG 4.03Å; A375-R377 WeakPolarHBondContact O-CG 3.01Å; A375-R377 PolarHBondContact O-N 3.37Å; R377-K379 PolarHBondContact O-N 3.32Å; R377-K379 VanDerWaalsContact O-N 3.13Å; R377-E380 HydrophobicContact CB-CB 4.26Å; R377-E380 VanDerWaalsContact CD-OE2 3.27Å; R377-E380 WeakPolarHBondContact CD-OE2 3.06Å; R377-E380 WeakPolarHBondContact CG-OE2 3.33Å; R377-E380 IonicContact NE-OE2 3.11Å; R377-E380 WeakPolarHBondContact O-CB 3.33Å; R377-E380 PolarHBondContact O-N 3.28Å; R377-F381 PolarHBondContact O-N 2.98Å
378	V	69	Low	72.4	Confident	21 Å²	21	79 Å²	79	13%	0.127	40%	0.4	C	S	.	.	H	α-helix	trans	-52.8	-39.7	-178	179.3	0	0	0	0	112.5	F369 S372 R373 S382	F369-V378 HydrophobicContact CD2-CG1 4.07Å; F369-V378 HydrophobicContact CE2-CG1 3.52Å; F369-V378 HydrophobicContact CZ-CG1 4.36Å; S372-V378 PolarHBondContact O-N 3.45Å; S372-V378 WeakPolarHBondContact OG-CA 3.42Å; R373-V378 HydrophobicContact CB-CG2 4Å; R373-V378 HydrophobicContact CG-CG2 4.46Å; V378-S382 VanDerWaalsContact O-CB 3.27Å; V378-S382 WeakPolarHBondContact O-CB 3.4Å; V378-S382 PolarHBondContact O-N 3.01Å; V378-S382 PolarHBondContact O-OG 3.1Å
379	K	67.1	Low	72.9	Confident	148 Å²	148	78.8 Å²	78.8	64%	0.643	40%	0.397	S	S	*	.	H	α-helix	trans	-64	-44.5	175.8	-77.4	-173.2	178.2	-178.7	0	112.3	R377 S382 L383	R377-K379 PolarHBondContact O-N 3.32Å; R377-K379 VanDerWaalsContact O-N 3.13Å; K379-S382 WeakPolarHBondContact O-CB 3.42Å; K379-S382 PolarHBondContact O-N 2.87Å; K379-L383 VanDerWaalsContact O-CG 3.26Å; K379-L383 WeakPolarHBondContact O-CG 3.1Å; K379-L383 PolarHBondContact O-N 3.23Å
380	E	73.3	Confident	73.3	Confident	93 Å²	93	82.4 Å²	82.4	44%	0.435	42%	0.417	S	S	.	.	H	α-helix	trans	-66	-42.8	178.7	-64.9	176.4	-172.9	0	0	111.6	R377 S382 L383 R384	R377-E380 HydrophobicContact CB-CB 4.26Å; R377-E380 VanDerWaalsContact CD-OE2 3.27Å; R377-E380 WeakPolarHBondContact CD-OE2 3.06Å; R377-E380 WeakPolarHBondContact CG-OE2 3.33Å; R377-E380 IonicContact NE-OE2 3.11Å; R377-E380 WeakPolarHBondContact O-CB 3.33Å; R377-E380 PolarHBondContact O-N 3.28Å; E380-S382 VanDerWaalsContact C-N 3.33Å; E380-S382 PolarHBondContact O-N 3.24Å; E380-L383 PolarHBondContact O-N 2.74Å; E380-R384 WeakPolarHBondContact O-CG 3.43Å; E380-R384 PolarHBondContact O-N 3.02Å; E380-R384 VanDerWaalsContact O-N 3.07Å
381	F	77	Confident	74.1	Confident	27 Å²	27	82.7 Å²	82.7	12%	0.118	42%	0.422	C	S	.	.	H	α-helix	trans	-59.9	-47.1	174.4	167.6	-99.2	0	0	0	111.4	F365 G368 F369 S372 R377 L383 R384 Q385	F365-F381 HydrophobicContact CE2-CE1 4.48Å; G368-F381 WeakPolarHBondContact O-CD2 3.46Å; G368-F381 WeakPolarHBondContact O-CG 3.35Å; F369-F381 VanDerWaalsContact CA-CE1 3.46Å; F369-F381 HydrophobicContact CB-CD1 4.33Å; F369-F381 HydrophobicContact CB-CE1 3.82Å; F369-F381 HydrophobicContact CB-CZ 4.47Å; F369-F381 VanDerWaalsContact N-CE1 3.29Å; F369-F381 VanDerWaalsContact N-CZ 3.25Å; S372-F381 WeakPolarHBondContact OG-CB 3.46Å; R377-F381 PolarHBondContact O-N 2.98Å; F381-L383 VanDerWaalsContact C-N 3.3Å; F381-L383 PolarHBondContact O-N 3.17Å; F381-R384 WeakPolarHBondContact O-CB 3.49Å; F381-R384 PolarHBondContact O-N 3.12Å; F381-Q385 HydrophobicContact CE1-CG 4.02Å; F381-Q385 HydrophobicContact CE2-CG 4.28Å; F381-Q385 HydrophobicContact CZ-CG 3.88Å; F381-Q385 PolarHBondContact O-N 3.25Å
382	S	72	Confident	75	Confident	6 Å²	6	82.4 Å²	82.4	4%	0.042	42%	0.421	C	S	.	.	H	α-helix	trans	-56.7	-46.1	176	-60.1	0	0	0	0	110.4	Y288 V378 K379 E380 R384 Q385	Y288-S382 WeakPolarHBondContact CE1-O 3.11Å; Y288-S382 VanDerWaalsContact CE2-CB 3.46Å; Y288-S382 VanDerWaalsContact CZ-C 3.47Å; Y288-S382 PolarHBondContact OH-O 3.07Å; V378-S382 VanDerWaalsContact O-CB 3.27Å; V378-S382 WeakPolarHBondContact O-CB 3.4Å; V378-S382 PolarHBondContact O-N 3.01Å; V378-S382 PolarHBondContact O-OG 3.1Å; K379-S382 WeakPolarHBondContact O-CB 3.42Å; K379-S382 PolarHBondContact O-N 2.87Å; E380-S382 VanDerWaalsContact C-N 3.33Å; E380-S382 PolarHBondContact O-N 3.24Å; S382-R384 PolarHBondContact O-N 2.81Å; S382-Q385 WeakPolarHBondContact O-CB 3.47Å; S382-Q385 PolarHBondContact O-N 3.36Å
383	L	71.9	Confident	75.9	Confident	136 Å²	136	83 Å²	83	71%	0.712	42%	0.424	S	S	*	.	H	α-helix	trans	-63.5	-22.1	177.4	-72.2	168.2	0	0	0	114.6	K379 E380 F381	K379-L383 VanDerWaalsContact O-CG 3.26Å; K379-L383 WeakPolarHBondContact O-CG 3.1Å; K379-L383 PolarHBondContact O-N 3.23Å; E380-L383 PolarHBondContact O-N 2.74Å; F381-L383 VanDerWaalsContact C-N 3.3Å; F381-L383 PolarHBondContact O-N 3.17Å
384	R	77.5	Confident	76.9	Confident	197 Å²	197	80.3 Å²	80.3	74%	0.743	41%	0.414	S	S	*	.	H	α-helix	trans	-81.4	-20.4	173.7	-68.7	175.2	-174.3	-166.7	0.4	112.8	E380 F381 S382	E380-R384 WeakPolarHBondContact O-CG 3.43Å; E380-R384 PolarHBondContact O-N 3.02Å; E380-R384 VanDerWaalsContact O-N 3.07Å; F381-R384 WeakPolarHBondContact O-CB 3.49Å; F381-R384 PolarHBondContact O-N 3.12Å; S382-R384 PolarHBondContact O-N 2.81Å
385	Q	77.3	Confident	77.8	Confident	67 Å²	67	79 Å²	79	31%	0.313	40%	0.404	S	S	.	.	S	Bend	trans	-76.7	148.7	175.3	-61.9	-57.5	-48.4	0	0	110	Y288 F381 S382 P387	Y288-Q385 HydrophobicContact CD1-CB 3.48Å; Y288-Q385 VanDerWaalsContact CD1-CB 3.48Å; Y288-Q385 HydrophobicContact CE1-CB 3.84Å; Y288-Q385 WeakPolarHBondContact CE1-O 3.48Å; Y288-Q385 HydrophobicContact CG-CB 4.15Å; F381-Q385 HydrophobicContact CE1-CG 4.02Å; F381-Q385 HydrophobicContact CE2-CG 4.28Å; F381-Q385 HydrophobicContact CZ-CG 3.88Å; F381-Q385 PolarHBondContact O-N 3.25Å; S382-Q385 WeakPolarHBondContact O-CB 3.47Å; S382-Q385 PolarHBondContact O-N 3.36Å; Q385-P387 WeakPolarHBondContact O-CD 3.18Å
386	T	77.9	Confident	78.9	Confident	116 Å²	116	80.2 Å²	80.2	71%	0.712	40%	0.401	S	S	*	.	P	Polyproline II helix	trans	-75.6	123.5	170.3	-51.1	0	0	0	0	108.8	T388	T386-T388 PolarHBondContact O-N 3.26Å
387	P	80.2	Confident	79.5	Confident	70 Å²	70	73.7 Å²	73.7	46%	0.455	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-59.5	128	173.2	-20.4	31.6	0	0	0	110.2	K287 Y288 Q385	K287-P387 WeakPolarHBondContact O-CA 3.43Å; Y288-P387 HydrophobicContact CE1-CB 4.24Å; Y288-P387 HydrophobicContact CE1-CG 3.87Å; Q385-P387 WeakPolarHBondContact O-CD 3.18Å
388	T	82.7	Confident	80.3	Confident	64 Å²	64	69.2 Å²	69.2	39%	0.393	35%	0.347	S	S	.	.			trans	-97.6	-31	179.8	45.9	0	0	0	0	111.6	K287 Y288 W289 T386	K287-T388 PolarHBondContact O-N 2.87Å; K287-T388 PolarHBondContact O-OG1 2.82Å; Y288-T388 VanDerWaalsContact C-OG1 3.25Å; W289-T388 PolarHBondContact N-OG1 3.04Å; W289-T388 WeakPolarHBondContact O-CB 3.39Å; W289-T388 PolarHBondContact O-OG1 3.13Å; T386-T388 PolarHBondContact O-N 3.26Å
389	A	82.6	Confident	81.1	Confident	6 Å²	6	74 Å²	74	5%	0.05	37%	0.366	C	S	.	.	S	Bend	trans	-96.5	145.6	176.8	0	0	0	0	0	111.2	M286 K287 I295 S391 V394	M286-A389 WeakPolarHBondContact O-CB 3.23Å; K287-A389 PolarHBondContact O-N 3.42Å; I295-A389 HydrophobicContact CB-CB 4.45Å; I295-A389 HydrophobicContact CG1-CB 4.25Å; I295-A389 HydrophobicContact CG2-CB 4.35Å; A389-S391 PolarHBondContact O-N 3.05Å; A389-V394 HydrophobicContact CB-CG2 4.38Å
390	N	84.5	Confident	81.7	Confident	83 Å²	83	67.4 Å²	67.4	44%	0.444	34%	0.338	S	S	.	.			trans	-63	127.3	173.4	-177.7	-5.3	0	0	0	109.6	E392 V393 V394	N390-E392 PolarHBondContact ND2-OE2 2.97Å; N390-E392 PolarHBondContact O-N 3.32Å; N390-E392 PolarHBondContact OD1-N 3.34Å; N390-V393 HydrophobicContact CB-CG2 3.99Å; N390-V393 PolarHBondContact O-N 3.2Å; N390-V393 VanDerWaalsContact O-N 3.16Å; N390-V394 PolarHBondContact O-N 3.24Å
391	S	84.4	Confident	81.9	Confident	42 Å²	42	63 Å²	63	29%	0.294	32%	0.317	S	S	.	.	H	α-helix	trans	-59.9	-33.1	178.9	-74.8	0	0	0	0	112.5	A389 V393 V394 E395	A389-S391 PolarHBondContact O-N 3.05Å; S391-V393 VanDerWaalsContact C-N 3.34Å; S391-V393 PolarHBondContact O-N 2.75Å; S391-V394 PolarHBondContact O-N 2.7Å; S391-E395 WeakPolarHBondContact O-CG 3.23Å; S391-E395 PolarHBondContact O-N 3.34Å
392	E	88.3	Confident	81.8	Confident	130 Å²	130	65.1 Å²	65.1	61%	0.607	34%	0.335	S	S	*	.	H	α-helix	trans	-61.3	-43.4	176.9	-63.8	171.8	159.8	0	0	111.3	N390 V394 E395 E396	N390-E392 PolarHBondContact ND2-OE2 2.97Å; N390-E392 PolarHBondContact O-N 3.32Å; N390-E392 PolarHBondContact OD1-N 3.34Å; E392-V394 VanDerWaalsContact C-N 3.34Å; E392-V394 PolarHBondContact O-N 2.94Å; E392-E395 PolarHBondContact O-N 3.01Å; E392-E396 WeakPolarHBondContact O-CG 3.49Å; E392-E396 PolarHBondContact O-N 3.22Å
393	V	87.2	Confident	81.7	Confident	22 Å²	22	69.5 Å²	69.5	13%	0.133	35%	0.354	C	S	.	.	H	α-helix	trans	-63.2	-43.3	178.8	178.5	0	0	0	0	110.3	I295 L299 N390 S391 E395 E396 I397	I295-V393 HydrophobicContact CG2-CG1 3.91Å; L299-V393 HydrophobicContact CB-CG1 4.29Å; L299-V393 HydrophobicContact CD2-CG1 3.95Å; N390-V393 HydrophobicContact CB-CG2 3.99Å; N390-V393 PolarHBondContact O-N 3.2Å; N390-V393 VanDerWaalsContact O-N 3.16Å; S391-V393 VanDerWaalsContact C-N 3.34Å; S391-V393 PolarHBondContact O-N 2.75Å; V393-E395 VanDerWaalsContact C-N 3.35Å; V393-E395 PolarHBondContact O-N 3Å; V393-E396 PolarHBondContact O-N 3.01Å; V393-I397 HydrophobicContact CG1-CD1 4.29Å; V393-I397 VanDerWaalsContact O-CG1 3.29Å; V393-I397 WeakPolarHBondContact O-CG1 3.42Å; V393-I397 PolarHBondContact O-N 3.38Å
394	V	86.2	Confident	81.2	Confident	3 Å²	3	63.8 Å²	63.8	2%	0.018	32%	0.323	C	S	.	.	H	α-helix	trans	-64.1	-41.3	177.1	179.9	0	0	0	0	111	M286 K287 I295 A389 N390 S391 E392 I397 M398	M286-V394 HydrophobicContact CB-CG1 4.04Å; M286-V394 HydrophobicContact CB-CG2 4.07Å; K287-V394 HydrophobicContact CG-CB 4.43Å; K287-V394 HydrophobicContact CG-CG1 4.25Å; K287-V394 HydrophobicContact CG-CG2 4.16Å; I295-V394 HydrophobicContact CG2-CG2 4.29Å; A389-V394 HydrophobicContact CB-CG2 4.38Å; N390-V394 PolarHBondContact O-N 3.24Å; S391-V394 PolarHBondContact O-N 2.7Å; E392-V394 VanDerWaalsContact C-N 3.34Å; E392-V394 PolarHBondContact O-N 2.94Å; V394-I397 WeakPolarHBondContact O-CB 3.44Å; V394-I397 PolarHBondContact O-N 3.26Å; V394-M398 WeakPolarHBondContact O-CG 3.45Å; V394-M398 PolarHBondContact O-N 3.38Å
395	E	87.9	Confident	80.2	Confident	101 Å²	101	57.4 Å²	57.4	47%	0.472	31%	0.306	S	S	.	.	H	α-helix	trans	-64.6	-39.9	175.4	-74.9	178.5	-166.1	0	0	112.4	S391 E392 V393 M398 K399	S391-E395 WeakPolarHBondContact O-CG 3.23Å; S391-E395 PolarHBondContact O-N 3.34Å; E392-E395 PolarHBondContact O-N 3.01Å; V393-E395 VanDerWaalsContact C-N 3.35Å; V393-E395 PolarHBondContact O-N 3Å; E395-M398 PolarHBondContact O-N 2.91Å; E395-K399 WeakPolarHBondContact O-CG 3.49Å; E395-K399 PolarHBondContact O-N 3.26Å
396	E	88.5	Confident	78.7	Confident	76 Å²	76	58.8 Å²	58.8	36%	0.355	33%	0.329	S	S	.	.	H	α-helix	trans	-63.1	-41.1	174.3	-73.1	-162.1	130.8	0	0	111.8	L299 R303 E392 V393 M398 K399 E400	L299-E396 HydrophobicContact CD1-CB 3.92Å; L299-E396 HydrophobicContact CD2-CB 3.84Å; L299-E396 VanDerWaalsContact CD2-OE2 3.31Å; L299-E396 WeakPolarHBondContact CD2-OE2 3.44Å; R303-E396 IonicContact CZ-OE2 3.77Å; R303-E396 IonicContact NH2-OE1 3.8Å; R303-E396 PolarHBondContact NH2-OE1 3.42Å; R303-E396 IonicContact NH2-OE2 3.66Å; R303-E396 PolarHBondContact NH2-OE2 3.01Å; E392-E396 WeakPolarHBondContact O-CG 3.49Å; E392-E396 PolarHBondContact O-N 3.22Å; V393-E396 PolarHBondContact O-N 3.01Å; E396-M398 VanDerWaalsContact C-N 3.32Å; E396-M398 PolarHBondContact O-N 3.24Å; E396-K399 WeakPolarHBondContact O-CB 3.37Å; E396-K399 PolarHBondContact O-N 3.49Å; E396-E400 WeakPolarHBondContact O-CG 3.26Å; E396-E400 PolarHBondContact O-N 3.32Å
397	I	85	Confident	77	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-57.6	-48	173	-70.7	170.5	0	0	0	110	F277 M286 I295 V298 L299 L302 V393 V394 K399 E400 V401	F277-I397 HydrophobicContact CD1-CG2 4.22Å; F277-I397 HydrophobicContact CE1-CG2 4.29Å; M286-I397 HydrophobicContact CE-CD1 3.42Å; M286-I397 VanDerWaalsContact CE-CD1 3.42Å; M286-I397 HydrophobicContact CE-CG2 3.93Å; M286-I397 HydrophobicContact SD-CG2 4.37Å; I295-I397 HydrophobicContact CG2-CD1 3.73Å; V298-I397 HydrophobicContact CB-CD1 4.47Å; V298-I397 HydrophobicContact CG1-CD1 4.19Å; L299-I397 HydrophobicContact CB-CD1 4.09Å; L299-I397 HydrophobicContact CB-CG1 3.63Å; L299-I397 HydrophobicContact CD1-CG1 3.85Å; L299-I397 HydrophobicContact CG-CG1 4.24Å; L302-I397 HydrophobicContact CD1-CB 4.45Å; L302-I397 HydrophobicContact CD1-CG1 4.44Å; L302-I397 HydrophobicContact CD1-CG2 3.73Å; V393-I397 HydrophobicContact CG1-CD1 4.29Å; V393-I397 VanDerWaalsContact O-CG1 3.29Å; V393-I397 WeakPolarHBondContact O-CG1 3.42Å; V393-I397 PolarHBondContact O-N 3.38Å; V394-I397 WeakPolarHBondContact O-CB 3.44Å; V394-I397 PolarHBondContact O-N 3.26Å; I397-K399 VanDerWaalsContact C-N 3.29Å; I397-K399 PolarHBondContact O-N 3.04Å; I397-E400 PolarHBondContact O-N 3.34Å; I397-V401 HydrophobicContact CG2-CG2 4.31Å; I397-V401 WeakPolarHBondContact O-CB 3.31Å; I397-V401 VanDerWaalsContact O-CG2 3.26Å; I397-V401 WeakPolarHBondContact O-CG2 3.49Å; I397-V401 PolarHBondContact O-N 3.19Å
398	M	86.3	Confident	76.9	Confident	46 Å²	46	60.2 Å²	60.2	23%	0.227	33%	0.328	C	S	.	.	H	α-helix	trans	-62.8	-36.9	179.4	-65.5	-56.3	-63.6	0	0	112.1	F277 V394 E395 E396 S402	F277-M398 WeakPolarHBondContact O-CE 3.48Å; F277-M398 VanDerWaalsContact O-SD 3.4Å; V394-M398 WeakPolarHBondContact O-CG 3.45Å; V394-M398 PolarHBondContact O-N 3.38Å; E395-M398 PolarHBondContact O-N 2.91Å; E396-M398 VanDerWaalsContact C-N 3.32Å; E396-M398 PolarHBondContact O-N 3.24Å; M398-S402 WeakPolarHBondContact O-CB 3.27Å; M398-S402 PolarHBondContact O-N 2.9Å; M398-S402 PolarHBondContact O-OG 3.13Å
399	K	85.8	Confident	76.6	Confident	122 Å²	122	59.9 Å²	59.9	53%	0.53	32%	0.324	S	S	.	.	H	α-helix	trans	-65.1	-44.7	174.4	-73.2	172.2	-174.1	172.3	0	111	E395 E396 I397 S402 K403	E395-K399 WeakPolarHBondContact O-CG 3.49Å; E395-K399 PolarHBondContact O-N 3.26Å; E396-K399 WeakPolarHBondContact O-CB 3.37Å; E396-K399 PolarHBondContact O-N 3.49Å; I397-K399 VanDerWaalsContact C-N 3.29Å; I397-K399 PolarHBondContact O-N 3.04Å; K399-S402 PolarHBondContact O-N 2.95Å; K399-K403 WeakPolarHBondContact O-CG 3.41Å; K399-K403 PolarHBondContact O-N 2.69Å
400	E	79.4	Confident	76.2	Confident	9 Å²	9	62.9 Å²	62.9	4%	0.042	34%	0.339	C	S	.	.	H	α-helix	trans	-63.6	-46.9	178.4	-72.3	-53.2	134.1	0	0	112.1	L299 L302 R303 R306 E396 I397 S402 K403 M404	L299-E400 HydrophobicContact CD1-CG 3.95Å; L302-E400 HydrophobicContact CB-CB 4.49Å; R303-E400 HydrophobicContact CG-CG 4.08Å; R306-E400 WeakPolarHBondContact CD-OE2 3.31Å; R306-E400 IonicContact CZ-OE1 3.48Å; R306-E400 IonicContact CZ-OE2 3.34Å; R306-E400 IonicContact NE-OE2 3.23Å; R306-E400 PolarHBondContact NE-OE2 3.35Å; R306-E400 IonicContact NH1-OE1 2.65Å; R306-E400 PolarHBondContact NH1-OE1 2.87Å; R306-E400 IonicContact NH1-OE2 2.78Å; R306-E400 PolarHBondContact NH1-OE2 2.88Å; R306-E400 IonicContact NH2-OE2 3.14Å; E396-E400 WeakPolarHBondContact O-CG 3.26Å; E396-E400 PolarHBondContact O-N 3.32Å; I397-E400 PolarHBondContact O-N 3.34Å; E400-S402 VanDerWaalsContact C-N 3.25Å; E400-S402 PolarHBondContact O-N 3.3Å; E400-K403 PolarHBondContact O-N 2.99Å; E400-K403 VanDerWaalsContact O-N 3.13Å; E400-K403 IonicContact OE1-NZ 2.68Å; E400-K403 PolarHBondContact OE1-NZ 2.89Å; E400-M404 WeakPolarHBondContact O-CG 3.4Å; E400-M404 PolarHBondContact O-N 3.07Å
401	V	77	Confident	75.7	Confident	0 Å²	0	61.8 Å²	61.8	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-59.8	-36.1	174.4	173.2	0	0	0	0	111.7	I274 F277 R278 L302 I397 M404 V405	I274-V401 HydrophobicContact CG2-CG1 4.04Å; F277-V401 HydrophobicContact CB-CB 4.46Å; F277-V401 HydrophobicContact CB-CG1 3.88Å; F277-V401 HydrophobicContact CB-CG2 3.87Å; F277-V401 HydrophobicContact CD2-CG2 4.43Å; F277-V401 HydrophobicContact CG-CG2 4.13Å; R278-V401 HydrophobicContact CG-CG1 4.04Å; L302-V401 HydrophobicContact CD1-CG2 3.95Å; L302-V401 HydrophobicContact CD2-CG2 4.38Å; I397-V401 HydrophobicContact CG2-CG2 4.31Å; I397-V401 WeakPolarHBondContact O-CB 3.31Å; I397-V401 VanDerWaalsContact O-CG2 3.26Å; I397-V401 WeakPolarHBondContact O-CG2 3.49Å; I397-V401 PolarHBondContact O-N 3.19Å; V401-M404 PolarHBondContact O-N 3.13Å; V401-V405 VanDerWaalsContact O-CG2 3.23Å; V401-V405 WeakPolarHBondContact O-CG2 3.41Å
402	S	75.1	Confident	75.2	Confident	71 Å²	71	63 Å²	63	50%	0.497	34%	0.336	S	S	.	.	H	α-helix	trans	-70.2	-33.1	177.3	-59.6	0	0	0	0	112.8	M398 K399 E400 M404 V405	M398-S402 WeakPolarHBondContact O-CB 3.27Å; M398-S402 PolarHBondContact O-N 2.9Å; M398-S402 PolarHBondContact O-OG 3.13Å; K399-S402 PolarHBondContact O-N 2.95Å; E400-S402 VanDerWaalsContact C-N 3.25Å; E400-S402 PolarHBondContact O-N 3.3Å; S402-M404 VanDerWaalsContact C-N 3.35Å; S402-V405 WeakPolarHBondContact O-CB 3.46Å; S402-V405 WeakPolarHBondContact O-CG2 3.4Å; S402-V405 PolarHBondContact O-N 3.49Å
403	K	69	Low	74.3	Confident	99 Å²	99	58.5 Å²	58.5	43%	0.43	32%	0.318	S	S	.	.	H	α-helix	trans	-69.5	-34.5	175.3	-68.2	168.4	-172.6	173.2	0	111.9	K399 E400 V405 A406	K399-K403 WeakPolarHBondContact O-CG 3.41Å; K399-K403 PolarHBondContact O-N 2.69Å; E400-K403 PolarHBondContact O-N 2.99Å; E400-K403 VanDerWaalsContact O-N 3.13Å; E400-K403 IonicContact OE1-NZ 2.68Å; E400-K403 PolarHBondContact OE1-NZ 2.89Å; K403-V405 PolarHBondContact O-N 3.23Å; K403-V405 VanDerWaalsContact O-N 3.17Å; K403-A406 PolarHBondContact O-N 3.42Å; K403-A406 VanDerWaalsContact O-N 3.17Å
404	M	62.8	Low	73.4	Confident	15 Å²	15	61.1 Å²	61.1	7%	0.074	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-8.8	177.4	-65.4	172	-175.9	0	0	113.9	I274 L302 F305 R306 E400 V401 S402	I274-M404 HydrophobicContact CD1-CB 4.25Å; I274-M404 HydrophobicContact CD1-SD 4.5Å; L302-M404 HydrophobicContact CB-CE 3.9Å; L302-M404 HydrophobicContact CD2-CE 3.77Å; L302-M404 HydrophobicContact CD2-SD 4.02Å; L302-M404 HydrophobicContact CG-CE 4.45Å; L302-M404 WeakPolarHBondContact O-CE 3.27Å; F305-M404 HydrophobicContact CB-CE 4.32Å; F305-M404 HydrophobicContact CD1-CE 3.72Å; F305-M404 HydrophobicContact CD1-SD 3.87Å; F305-M404 HydrophobicContact CE1-SD 4.27Å; R306-M404 HydrophobicContact CB-CE 3.91Å; E400-M404 WeakPolarHBondContact O-CG 3.4Å; E400-M404 PolarHBondContact O-N 3.07Å; V401-M404 PolarHBondContact O-N 3.13Å; S402-M404 VanDerWaalsContact C-N 3.35Å
405	V	56.4	Low	72.4	Confident	64 Å²	64	65.6 Å²	65.6	39%	0.388	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-25.2	175.3	-168.6	0	0	0	0	112	V401 S402 K403 L407	V401-V405 VanDerWaalsContact O-CG2 3.23Å; V401-V405 WeakPolarHBondContact O-CG2 3.41Å; S402-V405 WeakPolarHBondContact O-CB 3.46Å; S402-V405 WeakPolarHBondContact O-CG2 3.4Å; S402-V405 PolarHBondContact O-N 3.49Å; K403-V405 PolarHBondContact O-N 3.23Å; K403-V405 VanDerWaalsContact O-N 3.17Å; V405-L407 VanDerWaalsContact C-N 3.27Å
406	A	46.5	Very low	71.1	Confident	95 Å²	95	62.7 Å²	62.7	79%	0.785	35%	0.345	S	S	*	.			trans	-83.7	-9.5	-178.9	0	0	0	0	0	112.4	K403	K403-A406 PolarHBondContact O-N 3.42Å; K403-A406 VanDerWaalsContact O-N 3.17Å
407	L	41.6	Very low	69.5	Low	155 Å²	155	61.5 Å²	61.5	81%	0.812	34%	0.344	S	S	*	.			trans	-87.8	0	167.2	-62	173	0	0	0	108.3	V405	V405-L407 VanDerWaalsContact C-N 3.27Å

Retrieved 407 of 407 residues in 202.3 ms (Link to these results)

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