A0A146MJ29_SCHMA Loading...

MARVEL domain-containing protein

AlphaFold DB , UniProt , Accession A0A146MJ29, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 240 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	40	Very low	50.6	Low	224 Å²	224	104.5 Å²	104.5	100%	1.103	56%	0.562	S	S	*	*				0	103.2	0	-158.8	156.5	-176.7	0	0	106.1
2	F	45.1	Very low	50.8	Low	140 Å²	140	115.3 Å²	115.3	61%	0.614	59%	0.588	S	S	*	*			trans	-74.6	136	178.4	-73.8	-84.5	0	0	0	108.3	W6	F2-W6 HydrophobicContact CB-CH2 4.42Å; F2-W6 HydrophobicContact CB-CZ2 3.59Å; F2-W6 HydrophobicContact CD1-CH2 4.4Å; F2-W6 HydrophobicContact CD1-CZ2 4.36Å; F2-W6 HydrophobicContact CG-CH2 4.38Å; F2-W6 AromaticContact CG-CZ2 3.99Å; F2-W6 HydrophobicContact CG-CZ2 3.99Å
3	P	46.9	Very low	51.2	Low	92 Å²	92	115.8 Å²	115.8	60%	0.597	59%	0.592	S	S	*	*			trans	-57.4	142.1	-176.5	23.2	-32.4	0	0	0	110.8	D5 W6	P3-D5 VanDerWaalsContact C-N 3.31Å; P3-D5 PolarHBondContact O-N 3.42Å; P3-W6 PolarHBondContact O-NE1 3.38Å
4	I	55.7	Low	51.9	Low	112 Å²	112	115.7 Å²	115.7	57%	0.574	59%	0.588	S	S	*	*	G	3₁₀ helix	trans	-83	-7.3	-157.3	-61	149.9	0	0	0	112.4
5	D	50.7	Low	52.7	Low	121 Å²	121	114.4 Å²	114.4	65%	0.647	59%	0.591	S	S	*	*	G	3₁₀ helix	trans	-83.3	-24.8	-166.5	-49.3	-39.7	0	0	0	114.4	P3 V7 T9	P3-D5 VanDerWaalsContact C-N 3.31Å; P3-D5 PolarHBondContact O-N 3.42Å; D5-V7 VanDerWaalsContact C-N 3.26Å; D5-V7 PolarHBondContact O-N 3.46Å; D5-T9 WeakPolarHBondContact O-CB 3.36Å; D5-T9 PolarHBondContact O-N 2.82Å; D5-T9 PolarHBondContact O-OG1 2.86Å
6	W	48.7	Very low	53.5	Low	153 Å²	153	115 Å²	115	58%	0.58	59%	0.593	S	S	*	*	G	3₁₀ helix	trans	-68.7	-13.8	-179.6	63.9	-30.5	0	0	0	115.8	F2 P3	F2-W6 HydrophobicContact CB-CH2 4.42Å; F2-W6 HydrophobicContact CB-CZ2 3.59Å; F2-W6 HydrophobicContact CD1-CH2 4.4Å; F2-W6 HydrophobicContact CD1-CZ2 4.36Å; F2-W6 HydrophobicContact CG-CH2 4.38Å; F2-W6 AromaticContact CG-CZ2 3.99Å; F2-W6 HydrophobicContact CG-CZ2 3.99Å; P3-W6 PolarHBondContact O-NE1 3.38Å
7	V	56.9	Low	54.3	Low	27 Å²	27	113.1 Å²	113.1	16%	0.164	59%	0.585	C	S	.	*	G	3₁₀ helix	trans	-83.1	-33.9	-174.3	-177	0	0	0	0	111.7	D5 T168	D5-V7 VanDerWaalsContact C-N 3.26Å; D5-V7 PolarHBondContact O-N 3.46Å; V7-T168 HydrophobicContact CG1-CG2 4.21Å
8	C	54.5	Low	55	Low	52 Å²	52	108.6 Å²	108.6	35%	0.351	56%	0.559	S	S	.	*	T	Hydrogen-bonded Turn	trans	-115.9	-21.6	-175	-63.8	0	0	0	0	114.2	C172	C8-C172 PolarHBondContact SG-SG 3.22Å
9	T	53.9	Low	55.7	Low	92 Å²	92	107.1 Å²	107.1	56%	0.564	56%	0.555	S	S	*	*	S	Bend	trans	-99.9	133	-176.4	-43.3	0	0	0	0	109.8	D5 A11	D5-T9 WeakPolarHBondContact O-CB 3.36Å; D5-T9 PolarHBondContact O-N 2.82Å; D5-T9 PolarHBondContact O-OG1 2.86Å; T9-A11 VanDerWaalsContact C-N 3.31Å; T9-A11 PolarHBondContact O-N 3.37Å
10	T	51.4	Low	56.7	Low	69 Å²	69	110.7 Å²	110.7	42%	0.423	56%	0.561	S	S	.	*			trans	-60.6	84.8	179.8	40.3	0	0	0	0	111.4	R12 T88	T10-R12 PolarHBondContact O-N 3.1Å; T10-R12 VanDerWaalsContact O-N 3.14Å; T10-T88 HydrophobicContact CG2-CG2 4.12Å
11	A	52.3	Low	57.8	Low	68 Å²	68	108.1 Å²	108.1	56%	0.562	55%	0.546	S	S	*	.			trans	-63.9	116.5	171.3	0	0	0	0	0	108.3	T9	T9-A11 VanDerWaalsContact C-N 3.31Å; T9-A11 PolarHBondContact O-N 3.37Å
12	R	53.6	Low	59.8	Low	233 Å²	233	101 Å²	101	88%	0.879	52%	0.517	S	S	*	.			trans	-49.8	142.9	171.2	-73.3	-163.2	174.5	-139.9	2.1	109.8	T10 E14	T10-R12 PolarHBondContact O-N 3.1Å; T10-R12 VanDerWaalsContact O-N 3.14Å; R12-E14 PolarHBondContact O-N 3.07Å
13	L	56.1	Low	61.7	Low	122 Å²	122	95.3 Å²	95.3	64%	0.639	49%	0.492	S	S	*	.			trans	-52	85	-174.1	-143	88.5	0	0	0	112.7	P15	L13-P15 WeakPolarHBondContact O-CD 3.42Å
14	E	61.1	Low	63.6	Low	115 Å²	115	91.1 Å²	91.1	54%	0.537	46%	0.464	S	S	.	.			trans	-91.7	104.6	161.2	-73.9	-158.1	163.5	0	0	107.7	R12 I16 N17 Y18	R12-E14 PolarHBondContact O-N 3.07Å; E14-I16 HydrophobicContact CB-CG2 4.4Å; E14-I16 PolarHBondContact O-N 3.34Å; E14-N17 HydrophobicContact CB-CB 4.3Å; E14-N17 WeakPolarHBondContact CB-ND2 3.47Å; E14-N17 PolarHBondContact O-N 2.98Å; E14-N17 PolarHBondContact OE2-ND2 3.44Å; E14-Y18 PolarHBondContact O-N 2.86Å
15	P	62.8	Low	65.2	Low	96 Å²	96	89.8 Å²	89.8	62%	0.623	46%	0.458	S	S	*	.	H	α-helix	trans	-58.3	-26.3	-174.2	21.9	-32.9	0	0	0	112.5	L13 Y18 V19	L13-P15 WeakPolarHBondContact O-CD 3.42Å; P15-Y18 PolarHBondContact O-N 3.36Å; P15-V19 WeakPolarHBondContact O-CG2 3.28Å; P15-V19 PolarHBondContact O-N 2.9Å
16	I	66.5	Low	67.1	Low	124 Å²	124	85.5 Å²	85.5	64%	0.636	43%	0.434	S	S	*	.	H	α-helix	trans	-69.2	-35.8	177.1	-163.8	64.2	0	0	0	112.8	E14 Y18 R20	E14-I16 HydrophobicContact CB-CG2 4.4Å; E14-I16 PolarHBondContact O-N 3.34Å; I16-Y18 VanDerWaalsContact C-N 3.34Å; I16-R20 PolarHBondContact O-N 3.43Å
17	N	66.9	Low	69.2	Low	83 Å²	83	78.6 Å²	78.6	44%	0.444	41%	0.408	S	S	.	.	H	α-helix	trans	-75.2	-29.6	178.5	-66.7	-31.3	0	0	0	111.2	E14 R20	E14-N17 HydrophobicContact CB-CB 4.3Å; E14-N17 WeakPolarHBondContact CB-ND2 3.47Å; E14-N17 PolarHBondContact O-N 2.98Å; E14-N17 PolarHBondContact OE2-ND2 3.44Å; N17-R20 PolarHBondContact O-N 2.61Å
18	Y	66.8	Low	70.8	Confident	32 Å²	32	81 Å²	81	13%	0.125	42%	0.42	C	S	.	.	H	α-helix	trans	-63.8	-49.2	174.1	-179.7	-94.1	0	0	0	112.3	E14 P15 I16 R20 K21 V24 L78 D81 L82	E14-Y18 PolarHBondContact O-N 2.86Å; P15-Y18 PolarHBondContact O-N 3.36Å; I16-Y18 VanDerWaalsContact C-N 3.34Å; Y18-R20 PolarHBondContact O-N 2.87Å; Y18-K21 WeakPolarHBondContact O-CB 3.4Å; Y18-K21 PolarHBondContact O-N 3.13Å; Y18-V24 HydrophobicContact CD1-CG1 4.19Å; Y18-V24 HydrophobicContact CD1-CG2 4.34Å; Y18-V24 HydrophobicContact CE1-CB 4.4Å; Y18-V24 HydrophobicContact CE1-CG1 3.67Å; Y18-V24 HydrophobicContact CE1-CG2 3.81Å; Y18-V24 HydrophobicContact CE2-CG2 4.19Å; Y18-L78 PolarHBondContact OH-O 2.92Å; Y18-D81 HydrophobicContact CE2-CB 3.76Å; Y18-D81 VanDerWaalsContact OH-CB 3.3Å; Y18-D81 WeakPolarHBondContact OH-CB 3.35Å; Y18-L82 HydrophobicContact CE1-CD2 4.47Å; Y18-L82 HydrophobicContact CE2-CD2 4.2Å
19	V	68.3	Low	72.7	Confident	79 Å²	79	81.4 Å²	81.4	48%	0.479	42%	0.421	S	S	.	.	H	α-helix	trans	-64.2	-24	179.4	177.1	0	0	0	0	111.8	P15 K21 I25	P15-V19 WeakPolarHBondContact O-CG2 3.28Å; P15-V19 PolarHBondContact O-N 2.9Å; V19-K21 VanDerWaalsContact C-N 3.28Å; V19-K21 PolarHBondContact O-N 3.42Å; V19-I25 WeakPolarHBondContact O-CD1 3.37Å; V19-I25 VanDerWaalsContact O-CG1 3.23Å; V19-I25 WeakPolarHBondContact O-CG1 3.23Å
20	R	76.5	Confident	74.6	Confident	180 Å²	180	77 Å²	77	68%	0.679	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-15.2	177	-158.4	172.8	-170.6	167.6	3.6	113.6	I16 N17 Y18	I16-R20 PolarHBondContact O-N 3.43Å; N17-R20 PolarHBondContact O-N 2.61Å; Y18-R20 PolarHBondContact O-N 2.87Å
21	K	78.8	Confident	76.7	Confident	57 Å²	57	74.9 Å²	74.9	25%	0.248	38%	0.38	C	S	.	.	S	Bend	trans	-63.8	121.9	176.5	-65.6	-179.5	-179.7	173.4	0	108.6	Y18 V19 Q23 V24 I25 D85	Y18-K21 WeakPolarHBondContact O-CB 3.4Å; Y18-K21 PolarHBondContact O-N 3.13Å; V19-K21 VanDerWaalsContact C-N 3.28Å; V19-K21 PolarHBondContact O-N 3.42Å; K21-Q23 HydrophobicContact CB-CG 4.11Å; K21-Q23 PolarHBondContact O-N 3.22Å; K21-Q23 VanDerWaalsContact O-N 3.12Å; K21-V24 HydrophobicContact CB-CB 4.45Å; K21-V24 HydrophobicContact CB-CG2 3.95Å; K21-V24 PolarHBondContact O-N 3.21Å; K21-I25 PolarHBondContact O-N 3.3Å; K21-D85 IonicContact NZ-OD1 2.79Å; K21-D85 PolarHBondContact NZ-OD1 3.4Å; K21-D85 IonicContact NZ-OD2 3.47Å
22	P	82.8	Confident	78.7	Confident	74 Å²	74	76.7 Å²	76.7	48%	0.481	38%	0.38	S	S	.	.	H	α-helix	trans	-59.6	-31.2	-174.9	22.7	-33.4	0	0	0	112.7	V24 I25 L26	P22-V24 VanDerWaalsContact C-N 3.35Å; P22-V24 PolarHBondContact O-N 3.44Å; P22-I25 PolarHBondContact O-N 3.2Å; P22-L26 WeakPolarHBondContact O-CB 3.19Å; P22-L26 WeakPolarHBondContact O-CG 3.32Å; P22-L26 PolarHBondContact O-N 3Å
23	Q	84	Confident	80.6	Confident	21 Å²	21	67 Å²	67	10%	0.098	35%	0.345	C	S	.	.	H	α-helix	trans	-61.1	-39.5	174.9	70.7	-167.4	17.6	0	0	112.8	K21 L26 R27 L157	K21-Q23 HydrophobicContact CB-CG 4.11Å; K21-Q23 PolarHBondContact O-N 3.22Å; K21-Q23 VanDerWaalsContact O-N 3.12Å; Q23-L26 PolarHBondContact O-N 2.76Å; Q23-R27 WeakPolarHBondContact O-CG 3.49Å; Q23-R27 PolarHBondContact O-N 2.99Å; Q23-L157 HydrophobicContact CB-CD1 4.3Å
24	V	86.7	Confident	82.5	Confident	3 Å²	3	61.1 Å²	61.1	2%	0.018	31%	0.314	C	S	.	.	H	α-helix	trans	-69.1	-45	-178.3	174.3	0	0	0	0	109.7	Y18 K21 P22 L26 R27 L28 L78	Y18-V24 HydrophobicContact CD1-CG1 4.19Å; Y18-V24 HydrophobicContact CD1-CG2 4.34Å; Y18-V24 HydrophobicContact CE1-CB 4.4Å; Y18-V24 HydrophobicContact CE1-CG1 3.67Å; Y18-V24 HydrophobicContact CE1-CG2 3.81Å; Y18-V24 HydrophobicContact CE2-CG2 4.19Å; K21-V24 HydrophobicContact CB-CB 4.45Å; K21-V24 HydrophobicContact CB-CG2 3.95Å; K21-V24 PolarHBondContact O-N 3.21Å; P22-V24 VanDerWaalsContact C-N 3.35Å; P22-V24 PolarHBondContact O-N 3.44Å; V24-L26 VanDerWaalsContact C-N 3.34Å; V24-L26 PolarHBondContact O-N 3.46Å; V24-R27 PolarHBondContact O-N 2.88Å; V24-L28 HydrophobicContact CG1-CD1 4.28Å; V24-L28 WeakPolarHBondContact O-CG 3.5Å; V24-L28 PolarHBondContact O-N 3.17Å; V24-L78 HydrophobicContact CG1-CD2 3.88Å
25	I	89.1	Confident	84.1	Confident	84 Å²	84	59.3 Å²	59.3	43%	0.431	31%	0.311	S	S	.	.	H	α-helix	trans	-58.6	-48.2	176.9	-58.9	174	0	0	0	110	V19 K21 P22 R27 L28 V29	V19-I25 WeakPolarHBondContact O-CD1 3.37Å; V19-I25 VanDerWaalsContact O-CG1 3.23Å; V19-I25 WeakPolarHBondContact O-CG1 3.23Å; K21-I25 PolarHBondContact O-N 3.3Å; P22-I25 PolarHBondContact O-N 3.2Å; I25-R27 PolarHBondContact O-N 3.29Å; I25-L28 PolarHBondContact O-N 3.31Å; I25-V29 WeakPolarHBondContact O-CG2 3.08Å; I25-V29 PolarHBondContact O-N 3.08Å
26	L	91.4	Very high	85.6	Confident	31 Å²	31	57.2 Å²	57.2	16%	0.162	30%	0.296	C	S	.	.	H	α-helix	trans	-62.3	-41.1	179	-74.7	168.3	0	0	0	112.1	P22 Q23 V24 L28 V29 V30 V153 I156 L157 F160	P22-L26 WeakPolarHBondContact O-CB 3.19Å; P22-L26 WeakPolarHBondContact O-CG 3.32Å; P22-L26 PolarHBondContact O-N 3Å; Q23-L26 PolarHBondContact O-N 2.76Å; V24-L26 VanDerWaalsContact C-N 3.34Å; V24-L26 PolarHBondContact O-N 3.46Å; L26-L28 PolarHBondContact O-N 2.83Å; L26-V29 PolarHBondContact O-N 2.9Å; L26-V30 WeakPolarHBondContact O-CG2 3.26Å; L26-V30 PolarHBondContact O-N 3.2Å; L26-V153 HydrophobicContact CD2-CG1 4.16Å; L26-I156 HydrophobicContact CD1-CG2 4.12Å; L26-I156 HydrophobicContact CD2-CG2 4.21Å; L26-L157 HydrophobicContact CB-CB 4.25Å; L26-L157 HydrophobicContact CB-CD1 3.67Å; L26-L157 HydrophobicContact CB-CG 4.49Å; L26-L157 HydrophobicContact CD1-CB 4.43Å; L26-L157 HydrophobicContact CD1-CD1 4.34Å; L26-F160 HydrophobicContact CD1-CB 4.4Å; L26-F160 HydrophobicContact CD1-CD2 3.6Å; L26-F160 HydrophobicContact CD1-CE2 4.23Å; L26-F160 HydrophobicContact CD1-CG 4.27Å
27	R	92.3	Very high	86.8	Confident	8 Å²	8	51.3 Å²	51.3	3%	0.03	27%	0.266	C	S	.	.	H	α-helix	trans	-61.4	-43.1	173.8	-73.7	-172.4	-158.2	-71.1	-3.5	112.5	Q23 V24 I25 V29 V30 V31 L78 D100 L157	Q23-R27 WeakPolarHBondContact O-CG 3.49Å; Q23-R27 PolarHBondContact O-N 2.99Å; V24-R27 PolarHBondContact O-N 2.88Å; I25-R27 PolarHBondContact O-N 3.29Å; R27-V29 VanDerWaalsContact C-N 3.31Å; R27-V29 PolarHBondContact O-N 3.32Å; R27-V30 PolarHBondContact O-N 3.48Å; R27-V31 WeakPolarHBondContact O-CG2 3.36Å; R27-V31 PolarHBondContact O-N 3.07Å; R27-L78 HydrophobicContact CB-CD2 4.43Å; R27-D100 IonicContact CZ-OD1 3.62Å; R27-D100 VanDerWaalsContact CZ-OD1 3.29Å; R27-D100 IonicContact CZ-OD2 3.28Å; R27-D100 IonicContact NH1-OD1 3.76Å; R27-D100 PolarHBondContact NH1-OD1 3.07Å; R27-D100 IonicContact NH1-OD2 3.29Å; R27-D100 IonicContact NH2-OD1 2.78Å; R27-D100 PolarHBondContact NH2-OD1 2.93Å; R27-D100 IonicContact NH2-OD2 2.91Å; R27-D100 PolarHBondContact NH2-OD2 3.33Å; R27-L157 HydrophobicContact CG-CD1 4.12Å; R27-L157 HydrophobicContact CG-CD2 3.97Å
28	L	92	Very high	88.1	Confident	79 Å²	79	49.1 Å²	49.1	41%	0.414	25%	0.254	S	S	.	.	H	α-helix	trans	-61.4	-41.7	177	-69.7	173	0	0	0	111.4	V24 I25 L26 V31 I32 L78	V24-L28 HydrophobicContact CG1-CD1 4.28Å; V24-L28 WeakPolarHBondContact O-CG 3.5Å; V24-L28 PolarHBondContact O-N 3.17Å; I25-L28 PolarHBondContact O-N 3.31Å; L26-L28 PolarHBondContact O-N 2.83Å; L28-V31 PolarHBondContact O-N 2.77Å; L28-I32 VanDerWaalsContact O-CG1 3.32Å; L28-I32 WeakPolarHBondContact O-CG1 3.45Å; L28-I32 PolarHBondContact O-N 3.45Å; L28-L78 HydrophobicContact CD2-CD1 4.12Å
29	V	93.5	Very high	89.4	Confident	60 Å²	60	49.7 Å²	49.7	36%	0.364	27%	0.265	S	S	.	.	H	α-helix	trans	-60.4	-46.1	174.6	173.4	0	0	0	0	110.9	I25 L26 R27 V31 I32 L33 V153	I25-V29 WeakPolarHBondContact O-CG2 3.08Å; I25-V29 PolarHBondContact O-N 3.08Å; L26-V29 PolarHBondContact O-N 2.9Å; R27-V29 VanDerWaalsContact C-N 3.31Å; R27-V29 PolarHBondContact O-N 3.32Å; V29-V31 VanDerWaalsContact C-N 3.34Å; V29-V31 PolarHBondContact O-N 3.23Å; V29-I32 PolarHBondContact O-N 3.47Å; V29-L33 HydrophobicContact CG1-CD1 4.07Å; V29-L33 HydrophobicContact CG1-CG 4.42Å; V29-L33 WeakPolarHBondContact O-CG 3.09Å; V29-L33 PolarHBondContact O-N 2.97Å; V29-V153 HydrophobicContact CG1-CG1 4.19Å; V29-V153 HydrophobicContact CG1-CG2 4.49Å
30	V	94.1	Very high	90.5	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-60.9	-42.1	177.2	173.5	0	0	0	0	111.7	L26 R27 I32 L33 A34 T70 V153 L154	L26-V30 WeakPolarHBondContact O-CG2 3.26Å; L26-V30 PolarHBondContact O-N 3.2Å; R27-V30 PolarHBondContact O-N 3.48Å; V30-I32 PolarHBondContact O-N 3.39Å; V30-L33 PolarHBondContact O-N 2.94Å; V30-A34 WeakPolarHBondContact O-CB 3.49Å; V30-A34 PolarHBondContact O-N 3.36Å; V30-T70 HydrophobicContact CG1-CG2 3.39Å; V30-V153 HydrophobicContact CG2-CB 4.14Å; V30-V153 HydrophobicContact CG2-CG1 3.44Å; V30-V153 VanDerWaalsContact CG2-CG1 3.44Å; V30-L154 HydrophobicContact CG1-CD2 3.98Å; V30-L154 HydrophobicContact CG1-CG 4.33Å; V30-L154 HydrophobicContact CG2-CD2 4.11Å; V30-L154 HydrophobicContact CG2-CG 4.26Å
31	V	94.4	Very high	91.2	Very high	23 Å²	23	38.8 Å²	38.8	14%	0.139	22%	0.217	C	C	.	.	H	α-helix	trans	-60.7	-45.2	176.6	170.1	0	0	0	0	110.9	R27 L28 V29 A34 V35 C74	R27-V31 WeakPolarHBondContact O-CG2 3.36Å; R27-V31 PolarHBondContact O-N 3.07Å; L28-V31 PolarHBondContact O-N 2.77Å; V29-V31 VanDerWaalsContact C-N 3.34Å; V29-V31 PolarHBondContact O-N 3.23Å; V31-A34 PolarHBondContact O-N 3.24Å; V31-V35 HydrophobicContact CG1-CG2 4.47Å; V31-V35 WeakPolarHBondContact O-CG2 3.18Å; V31-V35 PolarHBondContact O-N 3.21Å; V31-C74 HydrophobicContact CG2-CB 3.39Å
32	I	95.4	Very high	91.7	Very high	107 Å²	107	40.9 Å²	40.9	55%	0.549	23%	0.228	S	C	.	.	H	α-helix	trans	-60.9	-47.6	177.4	-67.3	164.6	0	0	0	110.4	L28 V29 V30 A34 V35 V36	L28-I32 VanDerWaalsContact O-CG1 3.32Å; L28-I32 WeakPolarHBondContact O-CG1 3.45Å; L28-I32 PolarHBondContact O-N 3.45Å; V29-I32 PolarHBondContact O-N 3.47Å; V30-I32 PolarHBondContact O-N 3.39Å; I32-A34 VanDerWaalsContact C-N 3.3Å; I32-A34 PolarHBondContact O-N 3.39Å; I32-V35 PolarHBondContact O-N 3.14Å; I32-V36 HydrophobicContact CG2-CG2 4.43Å; I32-V36 VanDerWaalsContact O-CG2 3.31Å; I32-V36 WeakPolarHBondContact O-CG2 3.3Å; I32-V36 PolarHBondContact O-N 3.29Å
33	L	93.8	Very high	92	Very high	28 Å²	28	44.1 Å²	44.1	15%	0.147	24%	0.241	C	C	.	.	H	α-helix	trans	-60.4	-40.1	177.8	-67.5	173.9	0	0	0	111.9	V29 V30 V36 N37 F146 V153	V29-L33 HydrophobicContact CG1-CD1 4.07Å; V29-L33 HydrophobicContact CG1-CG 4.42Å; V29-L33 WeakPolarHBondContact O-CG 3.09Å; V29-L33 PolarHBondContact O-N 2.97Å; V30-L33 PolarHBondContact O-N 2.94Å; L33-V36 PolarHBondContact O-N 3.46Å; L33-N37 WeakPolarHBondContact O-CB 3.35Å; L33-N37 PolarHBondContact O-N 2.76Å; L33-F146 HydrophobicContact CD2-CD1 3.83Å; L33-F146 HydrophobicContact CD2-CE1 3.98Å; L33-V153 HydrophobicContact CD1-CG2 4.02Å
34	A	94.3	Very high	91.9	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-66.4	-42.2	176.9	0	0	0	0	0	112.3	V30 V31 I32 N37 I38 T70 I71 W111	V30-A34 WeakPolarHBondContact O-CB 3.49Å; V30-A34 PolarHBondContact O-N 3.36Å; V31-A34 PolarHBondContact O-N 3.24Å; I32-A34 VanDerWaalsContact C-N 3.3Å; I32-A34 PolarHBondContact O-N 3.39Å; A34-N37 PolarHBondContact O-N 3.18Å; A34-I38 WeakPolarHBondContact O-CG1 3.18Å; A34-I38 PolarHBondContact O-N 3.04Å; A34-T70 HydrophobicContact CB-CG2 4.38Å; A34-I71 HydrophobicContact CB-CD1 4.18Å; A34-I71 HydrophobicContact CB-CG1 3.74Å; A34-W111 HydrophobicContact CB-CZ2 4.47Å
35	V	95.1	Very high	91.9	Very high	76 Å²	76	44.2 Å²	44.2	46%	0.461	25%	0.249	S	C	.	.	H	α-helix	trans	-62.3	-45.8	175.5	170.8	0	0	0	0	110.9	V31 I32 N37 I38 A39 I71	V31-V35 HydrophobicContact CG1-CG2 4.47Å; V31-V35 WeakPolarHBondContact O-CG2 3.18Å; V31-V35 PolarHBondContact O-N 3.21Å; I32-V35 PolarHBondContact O-N 3.14Å; V35-N37 VanDerWaalsContact C-N 3.32Å; V35-N37 PolarHBondContact O-N 3Å; V35-I38 PolarHBondContact O-N 2.95Å; V35-A39 PolarHBondContact O-N 3.39Å; V35-I71 HydrophobicContact CG2-CD1 3.68Å; V35-I71 HydrophobicContact CG2-CG1 4.29Å
36	V	94.1	Very high	91.7	Very high	52 Å²	52	43.9 Å²	43.9	32%	0.315	24%	0.242	S	C	.	.	H	α-helix	trans	-61.4	-41.9	176.6	171.3	0	0	0	0	110.8	I32 L33 A39 I40 F146	I32-V36 HydrophobicContact CG2-CG2 4.43Å; I32-V36 VanDerWaalsContact O-CG2 3.31Å; I32-V36 WeakPolarHBondContact O-CG2 3.3Å; I32-V36 PolarHBondContact O-N 3.29Å; L33-V36 PolarHBondContact O-N 3.46Å; V36-A39 WeakPolarHBondContact O-CB 3.17Å; V36-A39 PolarHBondContact O-N 3.28Å; V36-I40 HydrophobicContact CG1-CD1 3.62Å; V36-I40 HydrophobicContact CG1-CG1 4.36Å; V36-I40 VanDerWaalsContact O-CG1 3.3Å; V36-I40 WeakPolarHBondContact O-CG1 3.49Å; V36-I40 PolarHBondContact O-N 3.41Å; V36-F146 HydrophobicContact CG1-CD2 4.17Å; V36-F146 HydrophobicContact CG1-CE1 4.19Å; V36-F146 HydrophobicContact CG1-CE2 3.73Å; V36-F146 HydrophobicContact CG1-CZ 3.76Å
37	N	92.4	Very high	91.3	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-62.4	-44.6	177.5	-169.8	27.9	0	0	0	112	L33 A34 V35 A39 I40 V41 S63 S67 N147	L33-N37 WeakPolarHBondContact O-CB 3.35Å; L33-N37 PolarHBondContact O-N 2.76Å; A34-N37 PolarHBondContact O-N 3.18Å; V35-N37 VanDerWaalsContact C-N 3.32Å; V35-N37 PolarHBondContact O-N 3Å; N37-A39 VanDerWaalsContact C-N 3.31Å; N37-A39 PolarHBondContact O-N 3.22Å; N37-I40 PolarHBondContact O-N 3.33Å; N37-V41 WeakPolarHBondContact O-CB 3.31Å; N37-V41 VanDerWaalsContact O-CG2 3.26Å; N37-V41 WeakPolarHBondContact O-CG2 3.31Å; N37-V41 PolarHBondContact O-N 3.31Å; N37-S63 PolarHBondContact ND2-OG 3.12Å; N37-S63 VanDerWaalsContact ND2-OG 3.14Å; N37-S67 PolarHBondContact ND2-OG 2.93Å; N37-N147 PolarHBondContact ND2-ND2 3.25Å; N37-N147 PolarHBondContact OD1-ND2 2.94Å
38	I	93.8	Very high	90.8	Very high	38 Å²	38	53.4 Å²	53.4	20%	0.195	28%	0.28	C	S	.	.	H	α-helix	trans	-57.6	-47	173.7	-65.8	170.6	0	0	0	110.2	A34 V35 I40 V41 H42 I71	A34-I38 WeakPolarHBondContact O-CG1 3.18Å; A34-I38 PolarHBondContact O-N 3.04Å; V35-I38 PolarHBondContact O-N 2.95Å; I38-I40 VanDerWaalsContact C-N 3.33Å; I38-I40 PolarHBondContact O-N 3Å; I38-V41 PolarHBondContact O-N 2.94Å; I38-H42 WeakPolarHBondContact O-CB 3.4Å; I38-H42 PolarHBondContact O-CD2 2.94Å; I38-H42 VanDerWaalsContact O-CD2 3.26Å; I38-H42 PolarHBondContact O-N 3.3Å; I38-I71 HydrophobicContact CD1-CD1 3.57Å
39	A	93.5	Very high	90.3	Very high	44 Å²	44	52.2 Å²	52.2	36%	0.364	29%	0.287	S	S	.	.	H	α-helix	trans	-60.5	-41.3	-179.7	0	0	0	0	0	112.4	V35 V36 N37 N43	V35-A39 PolarHBondContact O-N 3.39Å; V36-A39 WeakPolarHBondContact O-CB 3.17Å; V36-A39 PolarHBondContact O-N 3.28Å; N37-A39 VanDerWaalsContact C-N 3.31Å; N37-A39 PolarHBondContact O-N 3.22Å; A39-N43 VanDerWaalsContact O-CB 3.26Å; A39-N43 WeakPolarHBondContact O-CB 3.17Å; A39-N43 PolarHBondContact O-N 3.01Å; A39-N43 PolarHBondContact O-ND2 2.87Å; A39-N43 VanDerWaalsContact O-ND2 3.08Å
40	I	92.2	Very high	89.7	Confident	28 Å²	28	53.8 Å²	53.8	14%	0.144	29%	0.289	C	S	.	.	H	α-helix	trans	-70.5	-42.9	178.1	-64.6	162.5	0	0	0	110.8	V36 N37 I38 H42 G44 C45 T142 A143 F146	V36-I40 HydrophobicContact CG1-CD1 3.62Å; V36-I40 HydrophobicContact CG1-CG1 4.36Å; V36-I40 VanDerWaalsContact O-CG1 3.3Å; V36-I40 WeakPolarHBondContact O-CG1 3.49Å; V36-I40 PolarHBondContact O-N 3.41Å; N37-I40 PolarHBondContact O-N 3.33Å; I38-I40 VanDerWaalsContact C-N 3.33Å; I38-I40 PolarHBondContact O-N 3Å; I40-H42 VanDerWaalsContact C-N 3.35Å; I40-H42 PolarHBondContact O-N 3.45Å; I40-G44 CarbonylContact O-C 3.56Å; I40-G44 VanDerWaalsContact O-CA 3.23Å; I40-G44 WeakPolarHBondContact O-CA 3.3Å; I40-G44 PolarHBondContact O-N 3.26Å; I40-C45 PolarHBondContact O-N 2.02Å; I40-T142 HydrophobicContact CD1-CG2 3.87Å; I40-A143 HydrophobicContact CG2-CB 3.86Å; I40-F146 HydrophobicContact CD1-CD2 3.3Å; I40-F146 HydrophobicContact CD1-CE2 3.29Å; I40-F146 HydrophobicContact CD1-CG 4.47Å; I40-F146 HydrophobicContact CD1-CZ 4.46Å
41	V	90.6	Very high	89.4	Confident	1 Å²	1	53.9 Å²	53.9	1%	0.006	29%	0.289	C	S	.	.	H	α-helix	trans	-61.2	-46.1	178.7	172.8	0	0	0	0	110.2	N37 I38 C45 Y46 C60 S64	N37-V41 WeakPolarHBondContact O-CB 3.31Å; N37-V41 VanDerWaalsContact O-CG2 3.26Å; N37-V41 WeakPolarHBondContact O-CG2 3.31Å; N37-V41 PolarHBondContact O-N 3.31Å; I38-V41 PolarHBondContact O-N 2.94Å; V41-C45 WeakPolarHBondContact O-CB 3.32Å; V41-C45 PolarHBondContact O-N 3.32Å; V41-Y46 HydrophobicContact CG1-CE2 4.02Å; V41-Y46 WeakPolarHBondContact O-CD2 3.26Å; V41-Y46 WeakPolarHBondContact O-CE2 3.38Å; V41-C60 HydrophobicContact CG1-CB 4.08Å; V41-S64 WeakPolarHBondContact CG1-OG 3.37Å
42	H	90.1	Very high	88.9	Confident	102 Å²	102	52.9 Å²	52.9	47%	0.472	28%	0.283	S	S	.	.	H	α-helix	trans	-70.3	-40.8	-179.4	-82.1	-87.6	0	0	0	114	I38 I40	I38-H42 WeakPolarHBondContact O-CB 3.4Å; I38-H42 PolarHBondContact O-CD2 2.94Å; I38-H42 VanDerWaalsContact O-CD2 3.26Å; I38-H42 PolarHBondContact O-N 3.3Å; I40-H42 VanDerWaalsContact C-N 3.35Å; I40-H42 PolarHBondContact O-N 3.45Å
43	N	88.9	Confident	88.3	Confident	141 Å²	141	47.9 Å²	47.9	75%	0.754	26%	0.258	S	S	*	.	H	α-helix	trans	-94.7	-26.7	-173.7	-62.9	-40.1	0	0	0	114	A39	A39-N43 VanDerWaalsContact O-CB 3.26Å; A39-N43 WeakPolarHBondContact O-CB 3.17Å; A39-N43 PolarHBondContact O-N 3.01Å; A39-N43 PolarHBondContact O-ND2 2.87Å; A39-N43 VanDerWaalsContact O-ND2 3.08Å
44	G	83.2	Confident	87.8	Confident	27 Å²	27	49 Å²	49	28%	0.278	26%	0.264	S	S	.	.	H	α-helix	trans	-117.8	-9.8	-169.9	0	0	0	0	0	115.1	I40	I40-G44 CarbonylContact O-C 3.56Å; I40-G44 VanDerWaalsContact O-CA 3.23Å; I40-G44 WeakPolarHBondContact O-CA 3.3Å; I40-G44 PolarHBondContact O-N 3.26Å
45	C	85.1	Confident	87.2	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	28%	0.282	C	S	.	.	S	Bend	trans	-117	6.2	-179.3	-57.3	0	0	0	0	113.9	I40 V41 L52 F53	I40-C45 PolarHBondContact O-N 2.02Å; V41-C45 WeakPolarHBondContact O-CB 3.32Å; V41-C45 PolarHBondContact O-N 3.32Å; C45-L52 WeakPolarHBondContact O-CB 3.32Å; C45-L52 PolarHBondContact O-N 3.46Å; C45-F53 HydrophobicContact CB-CE2 4.17Å
46	Y	85.4	Confident	86.7	Confident	76 Å²	76	50.6 Å²	50.6	30%	0.298	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	132.1	175.6	-75.4	-81.4	0	0	0	112.2	V41 K50 C51 C60	V41-Y46 HydrophobicContact CG1-CE2 4.02Å; V41-Y46 WeakPolarHBondContact O-CD2 3.26Å; V41-Y46 WeakPolarHBondContact O-CE2 3.38Å; Y46-K50 WeakPolarHBondContact CA-O 3.33Å; Y46-C51 HydrophobicContact CE1-CB 4.41Å; Y46-C60 HydrophobicContact CE1-CB 4.3Å; Y46-C60 HydrophobicContact CE2-CB 4.1Å; Y46-C60 VanDerWaalsContact OH-CB 3.26Å; Y46-C60 WeakPolarHBondContact OH-CB 3.46Å
47	I	82.7	Confident	86.4	Confident	35 Å²	35	54.1 Å²	54.1	18%	0.179	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	125.2	176.6	-56.3	-179	0	0	0	108.3	G49 K50 L52 V135	I47-G49 PolarHBondContact O-N 3.13Å; I47-G49 VanDerWaalsContact O-N 3.07Å; I47-K50 PolarHBondContact N-O 3.46Å; I47-K50 WeakPolarHBondContact O-CB 3.32Å; I47-K50 PolarHBondContact O-N 3.39Å; I47-L52 HydrophobicContact CD1-CD1 4.05Å; I47-L52 HydrophobicContact CD1-CD2 4.36Å; I47-V135 HydrophobicContact CD1-CB 3.92Å; I47-V135 HydrophobicContact CD1-CG1 3.46Å; I47-V135 VanDerWaalsContact CD1-CG1 3.46Å; I47-V135 HydrophobicContact CD1-CG2 3.16Å
48	Y	82.1	Confident	86.2	Confident	205 Å²	205	57.3 Å²	57.3	80%	0.804	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.6	34.8	-175.1	-56	-64.1	0	0	0	113.9	K50	Y48-K50 VanDerWaalsContact C-N 3.29Å; Y48-K50 PolarHBondContact O-N 3.3Å
49	G	81.1	Confident	86	Confident	54 Å²	54	55.8 Å²	55.8	56%	0.557	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.3	4	-178.3	0	0	0	0	0	115.5	I47	I47-G49 PolarHBondContact O-N 3.13Å; I47-G49 VanDerWaalsContact O-N 3.07Å
50	K	82.4	Confident	85.8	Confident	92 Å²	92	53.8 Å²	53.8	40%	0.4	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	141.7	177.6	-66	-175.8	163.7	-149.2	0	111.4	Y46 I47 Y48 D55	Y46-K50 WeakPolarHBondContact CA-O 3.33Å; I47-K50 PolarHBondContact N-O 3.46Å; I47-K50 WeakPolarHBondContact O-CB 3.32Å; I47-K50 PolarHBondContact O-N 3.39Å; Y48-K50 VanDerWaalsContact C-N 3.29Å; Y48-K50 PolarHBondContact O-N 3.3Å; K50-D55 VanDerWaalsContact CB-OD1 3.3Å; K50-D55 WeakPolarHBondContact CB-OD1 3.47Å; K50-D55 WeakPolarHBondContact CD-OD1 3.48Å; K50-D55 WeakPolarHBondContact CE-OD2 3.08Å; K50-D55 WeakPolarHBondContact CG-OD1 3.46Å; K50-D55 IonicContact NZ-OD1 3.78Å; K50-D55 IonicContact NZ-OD2 2.77Å; K50-D55 PolarHBondContact NZ-OD2 2.96Å
51	C	86.2	Confident	85.8	Confident	2 Å²	2	54 Å²	54	1%	0.014	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	129.8	174.7	177	0	0	0	0	109.3	Y46 F53 D55 D56 C60	Y46-C51 HydrophobicContact CE1-CB 4.41Å; C51-F53 PolarHBondContact O-N 3.26Å; C51-D55 WeakPolarHBondContact O-CA 3.05Å; C51-D55 PolarHBondContact O-N 3.19Å; C51-D55 VanDerWaalsContact O-N 3.13Å; C51-D56 WeakPolarHBondContact CB-O 3.26Å; C51-D56 PolarHBondContact SG-O 3.4Å; C51-D56 VanDerWaalsContact SG-O 3.32Å; C51-C60 HydrophobicContact CB-CB 3.82Å; C51-C60 WeakPolarHBondContact CB-SG 3.47Å; C51-C60 WeakPolarHBondContact SG-CB 3.12Å; C51-C60 PolarHBondContact SG-N 3.42Å; C51-C60 CovalentContact SG-SG 2.02Å; C51-C60 PolarHBondContact SG-SG 3.11Å
52	L	85.1	Confident	85.9	Confident	3 Å²	3	56.5 Å²	56.5	2%	0.016	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-21.7	-176.6	-168.7	51	0	0	0	112.9	C45 I47 N54 W122 T125 F129 L130 V135 P140	C45-L52 WeakPolarHBondContact O-CB 3.32Å; C45-L52 PolarHBondContact O-N 3.46Å; I47-L52 HydrophobicContact CD1-CD1 4.05Å; I47-L52 HydrophobicContact CD1-CD2 4.36Å; L52-N54 VanDerWaalsContact C-N 3.35Å; L52-N54 PolarHBondContact O-N 3.21Å; L52-W122 HydrophobicContact CG-CZ3 4.4Å; L52-T125 WeakPolarHBondContact O-CG2 3.3Å; L52-T125 PolarHBondContact O-OG1 3.37Å; L52-F129 HydrophobicContact CD1-CD1 4.38Å; L52-F129 HydrophobicContact CD1-CE1 4.08Å; L52-L130 HydrophobicContact CD1-CD2 3.51Å; L52-L130 HydrophobicContact CG-CD2 4.28Å; L52-V135 HydrophobicContact CD1-CG1 4.12Å; L52-V135 HydrophobicContact CD2-CG1 3.5Å; L52-V135 VanDerWaalsContact CD2-CG1 3.5Å; L52-V135 HydrophobicContact CG-CG1 4.48Å; L52-P140 HydrophobicContact CB-CG 4.38Å; L52-P140 HydrophobicContact CD2-CG 3.24Å; L52-P140 HydrophobicContact CG-CG 3.83Å
53	F	82.7	Confident	86	Confident	2 Å²	2	51.7 Å²	51.7	1%	0.009	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	80	173.3	-64.9	-78.5	0	0	0	111.2	C45 C51 D55 D56 L118 R121 W122 P140 I144	C45-F53 HydrophobicContact CB-CE2 4.17Å; C51-F53 PolarHBondContact O-N 3.26Å; F53-D55 VanDerWaalsContact C-N 3.32Å; F53-D55 PolarHBondContact O-N 2.92Å; F53-D56 WeakPolarHBondContact O-CB 3.49Å; F53-D56 PolarHBondContact O-N 3.46Å; F53-D56 VanDerWaalsContact O-N 3.12Å; F53-L118 HydrophobicContact CD1-CB 4.39Å; F53-L118 HydrophobicContact CD1-CG 4.33Å; F53-L118 WeakPolarHBondContact CD1-O 3.37Å; F53-L118 HydrophobicContact CE1-CB 3.91Å; F53-L118 HydrophobicContact CE1-CD2 4.25Å; F53-L118 HydrophobicContact CE1-CG 3.9Å; F53-L118 HydrophobicContact CE2-CD2 4.06Å; F53-L118 HydrophobicContact CE2-CG 4.1Å; F53-L118 HydrophobicContact CZ-CB 4.22Å; F53-L118 HydrophobicContact CZ-CD2 3.69Å; F53-L118 HydrophobicContact CZ-CG 3.78Å; F53-R121 HydrophobicContact CB-CB 3.78Å; F53-R121 HydrophobicContact CD1-CB 4.28Å; F53-R121 HydrophobicContact CG-CB 4.49Å; F53-W122 HydrophobicContact CD1-CB 4.04Å; F53-W122 HydrophobicContact CE1-CB 4Å; F53-W122 HydrophobicContact CE1-CE3 4.45Å; F53-P140 HydrophobicContact CE1-CB 4.06Å; F53-P140 HydrophobicContact CZ-CB 3.83Å; F53-I144 HydrophobicContact CE1-CD1 4.01Å; F53-I144 HydrophobicContact CE1-CG1 4.14Å; F53-I144 HydrophobicContact CZ-CG1 4.37Å
54	N	83.8	Confident	86.1	Confident	51 Å²	51	45.6 Å²	45.6	27%	0.273	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.2	35.4	174.7	-168.4	49.6	0	0	0	115.4	L52 D56 R121 N124 T125	L52-N54 VanDerWaalsContact C-N 3.35Å; L52-N54 PolarHBondContact O-N 3.21Å; N54-D56 PolarHBondContact O-N 3.32Å; N54-R121 HydrophobicContact CB-CB 4.47Å; N54-N124 PolarHBondContact OD1-O 3.36Å; N54-T125 PolarHBondContact N-OG1 2.97Å
55	D	81	Confident	86.7	Confident	72 Å²	72	50.5 Å²	50.5	39%	0.385	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.8	17.7	-177.2	-154.7	11	0	0	0	113.5	K50 C51 F53 Q57	K50-D55 VanDerWaalsContact CB-OD1 3.3Å; K50-D55 WeakPolarHBondContact CB-OD1 3.47Å; K50-D55 WeakPolarHBondContact CD-OD1 3.48Å; K50-D55 WeakPolarHBondContact CE-OD2 3.08Å; K50-D55 WeakPolarHBondContact CG-OD1 3.46Å; K50-D55 IonicContact NZ-OD1 3.78Å; K50-D55 IonicContact NZ-OD2 2.77Å; K50-D55 PolarHBondContact NZ-OD2 2.96Å; C51-D55 WeakPolarHBondContact O-CA 3.05Å; C51-D55 PolarHBondContact O-N 3.19Å; C51-D55 VanDerWaalsContact O-N 3.13Å; F53-D55 VanDerWaalsContact C-N 3.32Å; F53-D55 PolarHBondContact O-N 2.92Å; D55-Q57 PolarHBondContact O-N 3Å
56	D	84.6	Confident	87.2	Confident	37 Å²	37	50.6 Å²	50.6	20%	0.198	26%	0.264	C	S	.	.			trans	-94.4	94	-177.5	-173.7	6.2	0	0	0	110.1	C51 F53 N54 A58 S59 R121	C51-D56 WeakPolarHBondContact CB-O 3.26Å; C51-D56 PolarHBondContact SG-O 3.4Å; C51-D56 VanDerWaalsContact SG-O 3.32Å; F53-D56 WeakPolarHBondContact O-CB 3.49Å; F53-D56 PolarHBondContact O-N 3.46Å; F53-D56 VanDerWaalsContact O-N 3.12Å; N54-D56 PolarHBondContact O-N 3.32Å; D56-A58 PolarHBondContact O-N 3.45Å; D56-A58 VanDerWaalsContact O-N 3.14Å; D56-A58 VanDerWaalsContact OD1-CB 3.31Å; D56-A58 WeakPolarHBondContact OD1-CB 3.4Å; D56-A58 PolarHBondContact OD1-N 3.35Å; D56-A58 VanDerWaalsContact OD1-N 3.14Å; D56-S59 WeakPolarHBondContact O-CB 3.47Å; D56-S59 PolarHBondContact O-N 2.95Å; D56-S59 PolarHBondContact OD2-OG 3.25Å; D56-R121 IonicContact OD2-CZ 2.81Å; D56-R121 VanDerWaalsContact OD2-CZ 3.28Å; D56-R121 IonicContact OD2-NE 3Å; D56-R121 PolarHBondContact OD2-NE 2.76Å; D56-R121 IonicContact OD2-NH2 2.68Å; D56-R121 PolarHBondContact OD2-NH2 2.85Å
57	Q	87.2	Confident	87.6	Confident	126 Å²	126	47 Å²	47	59%	0.589	25%	0.25	S	S	*	.	H	α-helix	trans	-56.6	-28.3	177.7	-68.3	-176.1	-6.3	0	0	112.7	D55 S59 G61	D55-Q57 PolarHBondContact O-N 3Å; Q57-S59 PolarHBondContact O-N 3.13Å; Q57-G61 PolarHBondContact O-N 2.9Å
58	A	88.2	Confident	88.2	Confident	68 Å²	68	47.7 Å²	47.7	56%	0.562	26%	0.258	S	S	*	.	H	α-helix	trans	-65.9	-29.9	178.1	0	0	0	0	0	112	D56 Y62	D56-A58 PolarHBondContact O-N 3.45Å; D56-A58 VanDerWaalsContact O-N 3.14Å; D56-A58 VanDerWaalsContact OD1-CB 3.31Å; D56-A58 WeakPolarHBondContact OD1-CB 3.4Å; D56-A58 PolarHBondContact OD1-N 3.35Å; D56-A58 VanDerWaalsContact OD1-N 3.14Å; A58-Y62 WeakPolarHBondContact O-CB 3.08Å; A58-Y62 PolarHBondContact O-N 3.32Å
59	S	89.3	Confident	88.8	Confident	6 Å²	6	39 Å²	39	4%	0.042	23%	0.228	C	C	.	.	H	α-helix	trans	-71.6	-50.3	-179.1	-64.7	0	0	0	0	112.1	D56 Q57 Y62 S63 R121	D56-S59 WeakPolarHBondContact O-CB 3.47Å; D56-S59 PolarHBondContact O-N 2.95Å; D56-S59 PolarHBondContact OD2-OG 3.25Å; Q57-S59 PolarHBondContact O-N 3.13Å; S59-Y62 PolarHBondContact O-N 3.43Å; S59-S63 PolarHBondContact O-N 3.41Å; S59-R121 WeakPolarHBondContact OG-CG 3.37Å
60	C	89.4	Confident	89.5	Confident	1 Å²	1	36.5 Å²	36.5	1%	0.007	20%	0.202	C	C	.	.	H	α-helix	trans	-63.4	-43.8	173.4	-71.9	0	0	0	0	111.1	V41 Y46 C51 Y62 S63 S64	V41-C60 HydrophobicContact CG1-CB 4.08Å; Y46-C60 HydrophobicContact CE1-CB 4.3Å; Y46-C60 HydrophobicContact CE2-CB 4.1Å; Y46-C60 VanDerWaalsContact OH-CB 3.26Å; Y46-C60 WeakPolarHBondContact OH-CB 3.46Å; C51-C60 HydrophobicContact CB-CB 3.82Å; C51-C60 WeakPolarHBondContact CB-SG 3.47Å; C51-C60 WeakPolarHBondContact SG-CB 3.12Å; C51-C60 PolarHBondContact SG-N 3.42Å; C51-C60 CovalentContact SG-SG 2.02Å; C51-C60 PolarHBondContact SG-SG 3.11Å; C60-Y62 VanDerWaalsContact C-N 3.33Å; C60-Y62 PolarHBondContact O-N 2.96Å; C60-S63 PolarHBondContact O-N 3.5Å; C60-S64 PolarHBondContact O-N 3.28Å; C60-S64 PolarHBondContact O-OG 3.33Å
61	G	92.2	Very high	90.1	Very high	32 Å²	32	33.6 Å²	33.6	33%	0.33	19%	0.19	S	C	.	.	H	α-helix	trans	-60.9	-40	178.7	0	0	0	0	0	112.9	Q57 S64 F65	Q57-G61 PolarHBondContact O-N 2.9Å; G61-S64 PolarHBondContact O-N 3Å; G61-F65 VanDerWaalsContact O-CB 3.31Å; G61-F65 WeakPolarHBondContact O-CB 3.33Å; G61-F65 PolarHBondContact O-N 3.49Å
62	Y	93.1	Very high	90.5	Very high	55 Å²	55	39.1 Å²	39.1	22%	0.216	22%	0.218	C	C	.	.	H	α-helix	trans	-62.9	-45.8	176.1	-179.1	-113	0	0	0	112	A58 S59 C60 S64 F65 L66 L110 I113 A114 L117	A58-Y62 WeakPolarHBondContact O-CB 3.08Å; A58-Y62 PolarHBondContact O-N 3.32Å; S59-Y62 PolarHBondContact O-N 3.43Å; C60-Y62 VanDerWaalsContact C-N 3.33Å; C60-Y62 PolarHBondContact O-N 2.96Å; Y62-S64 PolarHBondContact O-N 3.01Å; Y62-F65 PolarHBondContact O-N 3.49Å; Y62-L66 HydrophobicContact CD1-CD1 3.97Å; Y62-L66 HydrophobicContact CD2-CG 4.38Å; Y62-L66 HydrophobicContact CE1-CD1 3.4Å; Y62-L66 HydrophobicContact CE1-CG 4.22Å; Y62-L66 HydrophobicContact CE2-CD1 4.03Å; Y62-L66 HydrophobicContact CE2-CD2 4.24Å; Y62-L66 HydrophobicContact CE2-CG 4.02Å; Y62-L66 VanDerWaalsContact CZ-CD1 3.44Å; Y62-L66 WeakPolarHBondContact O-CG 3.25Å; Y62-L66 PolarHBondContact O-N 2.78Å; Y62-L110 PolarHBondContact OH-O 2.89Å; Y62-I113 HydrophobicContact CE1-CG2 4.07Å; Y62-A114 HydrophobicContact CD1-CB 4.05Å; Y62-A114 HydrophobicContact CE1-CB 3.67Å; Y62-L117 HydrophobicContact CD1-CD1 3.95Å; Y62-L117 HydrophobicContact CE1-CD1 3.96Å
63	S	91.7	Very high	90.9	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-64.2	-40.6	177.5	-162.9	0	0	0	0	112.2	N37 S59 C60 S67 N147	N37-S63 PolarHBondContact ND2-OG 3.12Å; N37-S63 VanDerWaalsContact ND2-OG 3.14Å; S59-S63 PolarHBondContact O-N 3.41Å; C60-S63 PolarHBondContact O-N 3.5Å; S63-S67 WeakPolarHBondContact O-CB 3.36Å; S63-S67 PolarHBondContact O-N 3.37Å; S63-S67 PolarHBondContact O-OG 3.39Å; S63-N147 PolarHBondContact OG-ND2 2.83Å; S63-N147 PolarHBondContact OG-OD1 2.95Å
64	S	92.5	Very high	91.4	Very high	14 Å²	14	41 Å²	41	10%	0.098	23%	0.228	C	C	.	.	H	α-helix	trans	-64.2	-41.6	174.2	-67.7	0	0	0	0	112.6	V41 C60 G61 Y62 S67 S68	V41-S64 WeakPolarHBondContact CG1-OG 3.37Å; C60-S64 PolarHBondContact O-N 3.28Å; C60-S64 PolarHBondContact O-OG 3.33Å; G61-S64 PolarHBondContact O-N 3Å; Y62-S64 PolarHBondContact O-N 3.01Å; S64-S67 PolarHBondContact O-N 3.3Å; S64-S68 WeakPolarHBondContact O-CB 3.12Å; S64-S68 PolarHBondContact O-N 3.28Å; S64-S68 PolarHBondContact O-OG 2.79Å
65	F	94.8	Very high	91.8	Very high	130 Å²	130	43 Å²	43	57%	0.57	24%	0.239	S	C	*	.	H	α-helix	trans	-64.1	-47.1	178	171.5	-99.3	0	0	0	111.6	G61 Y62 S67 S68 S69	G61-F65 VanDerWaalsContact O-CB 3.31Å; G61-F65 WeakPolarHBondContact O-CB 3.33Å; G61-F65 PolarHBondContact O-N 3.49Å; Y62-F65 PolarHBondContact O-N 3.49Å; F65-S67 VanDerWaalsContact C-N 3.35Å; F65-S67 PolarHBondContact O-N 3.27Å; F65-S68 PolarHBondContact O-N 2.89Å; F65-S69 VanDerWaalsContact O-CB 3.23Å; F65-S69 WeakPolarHBondContact O-CB 3.29Å; F65-S69 PolarHBondContact O-N 2.87Å; F65-S69 PolarHBondContact O-OG 3.02Å
66	L	95.2	Very high	92.4	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.005	24%	0.238	C	C	.	.	H	α-helix	trans	-61.4	-44.9	177.4	-75.8	-178.1	0	0	0	111.5	Y62 S69 T70 L110 A114	Y62-L66 HydrophobicContact CD1-CD1 3.97Å; Y62-L66 HydrophobicContact CD2-CG 4.38Å; Y62-L66 HydrophobicContact CE1-CD1 3.4Å; Y62-L66 HydrophobicContact CE1-CG 4.22Å; Y62-L66 HydrophobicContact CE2-CD1 4.03Å; Y62-L66 HydrophobicContact CE2-CD2 4.24Å; Y62-L66 HydrophobicContact CE2-CG 4.02Å; Y62-L66 VanDerWaalsContact CZ-CD1 3.44Å; Y62-L66 WeakPolarHBondContact O-CG 3.25Å; Y62-L66 PolarHBondContact O-N 2.78Å; L66-S69 PolarHBondContact O-N 3.49Å; L66-T70 WeakPolarHBondContact O-CB 3.49Å; L66-T70 PolarHBondContact O-N 3.14Å; L66-T70 PolarHBondContact O-OG1 3.41Å; L66-L110 HydrophobicContact CD1-CB 4.34Å; L66-L110 WeakPolarHBondContact CD1-O 3.26Å; L66-L110 HydrophobicContact CD2-CB 3.76Å; L66-L110 HydrophobicContact CD2-CD1 4.03Å; L66-L110 HydrophobicContact CD2-CG 4.37Å; L66-A114 HydrophobicContact CD1-CB 3.6Å
67	S	94.4	Very high	92.7	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-64.2	-45.7	179.8	-55.4	0	0	0	0	111.7	N37 S63 S64 F65 S69 T70 I71	N37-S67 PolarHBondContact ND2-OG 2.93Å; S63-S67 WeakPolarHBondContact O-CB 3.36Å; S63-S67 PolarHBondContact O-N 3.37Å; S63-S67 PolarHBondContact O-OG 3.39Å; S64-S67 PolarHBondContact O-N 3.3Å; F65-S67 VanDerWaalsContact C-N 3.35Å; F65-S67 PolarHBondContact O-N 3.27Å; S67-S69 PolarHBondContact O-N 3.43Å; S67-T70 WeakPolarHBondContact O-CB 3.45Å; S67-T70 PolarHBondContact O-N 3.02Å; S67-I71 WeakPolarHBondContact O-CG1 3.38Å; S67-I71 PolarHBondContact O-N 3.46Å
68	S	95.4	Very high	92.7	Very high	50 Å²	50	35.2 Å²	35.2	35%	0.35	21%	0.207	S	C	.	.	H	α-helix	trans	-61.5	-44.7	177.1	-56.8	0	0	0	0	111.6	S64 F65 T70 I71 I72	S64-S68 WeakPolarHBondContact O-CB 3.12Å; S64-S68 PolarHBondContact O-N 3.28Å; S64-S68 PolarHBondContact O-OG 2.79Å; F65-S68 PolarHBondContact O-N 2.89Å; S68-T70 VanDerWaalsContact C-N 3.3Å; S68-T70 PolarHBondContact O-N 3.28Å; S68-I71 PolarHBondContact O-N 3Å; S68-I72 WeakPolarHBondContact O-CG1 3.43Å; S68-I72 PolarHBondContact O-N 3.36Å; S68-I72 VanDerWaalsContact O-N 3.12Å
69	S	95.4	Very high	92.8	Very high	24 Å²	24	39.9 Å²	39.9	17%	0.168	21%	0.21	C	C	.	.	H	α-helix	trans	-65.8	-34.4	178.2	-59	0	0	0	0	111.6	F65 L66 S67 I72 L73	F65-S69 VanDerWaalsContact O-CB 3.23Å; F65-S69 WeakPolarHBondContact O-CB 3.29Å; F65-S69 PolarHBondContact O-N 2.87Å; F65-S69 PolarHBondContact O-OG 3.02Å; L66-S69 PolarHBondContact O-N 3.49Å; S67-S69 PolarHBondContact O-N 3.43Å; S69-I72 PolarHBondContact O-N 2.84Å; S69-L73 VanDerWaalsContact O-CB 3.26Å; S69-L73 WeakPolarHBondContact O-CB 3.49Å; S69-L73 PolarHBondContact O-N 2.81Å
70	T	94	Very high	92.7	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.006	22%	0.222	C	C	.	.	H	α-helix	trans	-62.6	-45	174.5	-51.9	0	0	0	0	111.4	V30 A34 L66 S67 S68 L73 C74 W107 W111	V30-T70 HydrophobicContact CG1-CG2 3.39Å; A34-T70 HydrophobicContact CB-CG2 4.38Å; L66-T70 WeakPolarHBondContact O-CB 3.49Å; L66-T70 PolarHBondContact O-N 3.14Å; L66-T70 PolarHBondContact O-OG1 3.41Å; S67-T70 WeakPolarHBondContact O-CB 3.45Å; S67-T70 PolarHBondContact O-N 3.02Å; S68-T70 VanDerWaalsContact C-N 3.3Å; S68-T70 PolarHBondContact O-N 3.28Å; T70-L73 PolarHBondContact O-N 3.14Å; T70-C74 VanDerWaalsContact O-CB 3.32Å; T70-C74 WeakPolarHBondContact O-CB 3.37Å; T70-C74 PolarHBondContact O-N 3.24Å; T70-C74 PolarHBondContact O-SG 2.95Å; T70-C74 VanDerWaalsContact O-SG 3.33Å; T70-W107 PolarHBondContact OG1-NE1 3.37Å; T70-W111 HydrophobicContact CG2-CZ2 4.4Å; T70-W111 WeakPolarHBondContact OG1-CZ2 3.42Å; T70-W111 PolarHBondContact OG1-NE1 3.35Å
71	I	95	Very high	92.4	Very high	31 Å²	31	43.3 Å²	43.3	16%	0.159	23%	0.227	C	C	.	.	H	α-helix	trans	-60.7	-50.8	178.9	-66.6	164.8	0	0	0	109.7	A34 V35 I38 S67 S68 L73 C74 L75	A34-I71 HydrophobicContact CB-CD1 4.18Å; A34-I71 HydrophobicContact CB-CG1 3.74Å; V35-I71 HydrophobicContact CG2-CD1 3.68Å; V35-I71 HydrophobicContact CG2-CG1 4.29Å; I38-I71 HydrophobicContact CD1-CD1 3.57Å; S67-I71 WeakPolarHBondContact O-CG1 3.38Å; S67-I71 PolarHBondContact O-N 3.46Å; S68-I71 PolarHBondContact O-N 3Å; I71-L73 VanDerWaalsContact C-N 3.33Å; I71-L73 PolarHBondContact O-N 2.8Å; I71-C74 PolarHBondContact O-N 3Å; I71-L75 HydrophobicContact CG2-CD1 3.82Å; I71-L75 HydrophobicContact CG2-CG 4.34Å; I71-L75 WeakPolarHBondContact O-CB 3.32Å; I71-L75 VanDerWaalsContact O-CG 3.26Å; I71-L75 WeakPolarHBondContact O-CG 3.12Å; I71-L75 PolarHBondContact O-N 3.2Å
72	I	95.7	Very high	91.8	Very high	117 Å²	117	45.7 Å²	45.7	60%	0.6	23%	0.232	S	C	*	.	H	α-helix	trans	-59	-46.8	179.5	-65	166.3	0	0	0	110.6	S68 S69 C74 L75 A76	S68-I72 WeakPolarHBondContact O-CG1 3.43Å; S68-I72 PolarHBondContact O-N 3.36Å; S68-I72 VanDerWaalsContact O-N 3.12Å; S69-I72 PolarHBondContact O-N 2.84Å; I72-C74 PolarHBondContact O-N 2.95Å; I72-L75 PolarHBondContact O-N 3.46Å; I72-A76 WeakPolarHBondContact O-CB 3.4Å; I72-A76 PolarHBondContact O-N 3.14Å
73	L	93.7	Very high	91.3	Very high	39 Å²	39	46.1 Å²	46.1	20%	0.204	24%	0.238	C	C	.	.	H	α-helix	trans	-62.7	-45.6	-178.8	-173.7	61	0	0	0	111.6	S69 T70 I71 A76 Y77 L103 W107	S69-L73 VanDerWaalsContact O-CB 3.26Å; S69-L73 WeakPolarHBondContact O-CB 3.49Å; S69-L73 PolarHBondContact O-N 2.81Å; T70-L73 PolarHBondContact O-N 3.14Å; I71-L73 VanDerWaalsContact C-N 3.33Å; I71-L73 PolarHBondContact O-N 2.8Å; L73-A76 PolarHBondContact O-N 3.45Å; L73-Y77 HydrophobicContact CD1-CD2 3.99Å; L73-Y77 HydrophobicContact CD1-CE2 3.54Å; L73-Y77 HydrophobicContact CD2-CE2 4.36Å; L73-Y77 HydrophobicContact CG-CD2 3.93Å; L73-Y77 HydrophobicContact CG-CE2 3.74Å; L73-Y77 WeakPolarHBondContact O-CD2 3.37Å; L73-Y77 PolarHBondContact O-N 2.92Å; L73-L103 HydrophobicContact CD1-CD1 4.13Å; L73-W107 HydrophobicContact CD2-CD2 3.98Å; L73-W107 HydrophobicContact CD2-CE3 4Å; L73-W107 HydrophobicContact CD2-CG 4.46Å; L73-W107 HydrophobicContact CD2-CZ3 4.29Å
74	C	93.1	Very high	90.5	Very high	5 Å²	5	46.9 Å²	46.9	3%	0.034	24%	0.242	C	C	.	.	H	α-helix	trans	-66.4	-40	179	-73.8	0	0	0	0	112.1	V31 T70 I71 I72 Y77 L78	V31-C74 HydrophobicContact CG2-CB 3.39Å; T70-C74 VanDerWaalsContact O-CB 3.32Å; T70-C74 WeakPolarHBondContact O-CB 3.37Å; T70-C74 PolarHBondContact O-N 3.24Å; T70-C74 PolarHBondContact O-SG 2.95Å; T70-C74 VanDerWaalsContact O-SG 3.33Å; I71-C74 PolarHBondContact O-N 3Å; I72-C74 PolarHBondContact O-N 2.95Å; C74-Y77 PolarHBondContact O-N 2.87Å; C74-L78 WeakPolarHBondContact O-CB 3.32Å; C74-L78 VanDerWaalsContact O-CG 3.24Å; C74-L78 WeakPolarHBondContact O-CG 3.39Å; C74-L78 PolarHBondContact O-N 2.94Å
75	L	93	Very high	89.4	Confident	95 Å²	95	48 Å²	48	50%	0.497	25%	0.247	S	C	.	.	H	α-helix	trans	-64.4	-40.5	174	-69.9	176	0	0	0	111.9	I71 I72 Y77 L78 W79	I71-L75 HydrophobicContact CG2-CD1 3.82Å; I71-L75 HydrophobicContact CG2-CG 4.34Å; I71-L75 WeakPolarHBondContact O-CB 3.32Å; I71-L75 VanDerWaalsContact O-CG 3.26Å; I71-L75 WeakPolarHBondContact O-CG 3.12Å; I71-L75 PolarHBondContact O-N 3.2Å; I72-L75 PolarHBondContact O-N 3.46Å; L75-Y77 PolarHBondContact O-N 3.47Å; L75-L78 HydrophobicContact CD2-CD1 4.44Å; L75-L78 PolarHBondContact O-N 3.29Å; L75-W79 WeakPolarHBondContact O-CB 3.43Å; L75-W79 PolarHBondContact O-N 3.43Å
76	A	92.7	Very high	88.2	Confident	43 Å²	43	48.6 Å²	48.6	36%	0.355	26%	0.256	S	S	.	.	H	α-helix	trans	-61.9	-42.7	175.1	0	0	0	0	0	111.5	I72 L73 W79 L80	I72-A76 WeakPolarHBondContact O-CB 3.4Å; I72-A76 PolarHBondContact O-N 3.14Å; L73-A76 PolarHBondContact O-N 3.45Å; A76-W79 PolarHBondContact O-N 3.4Å; A76-L80 WeakPolarHBondContact O-CB 3.31Å; A76-L80 VanDerWaalsContact O-CG 3.29Å; A76-L80 WeakPolarHBondContact O-CG 3.39Å; A76-L80 PolarHBondContact O-N 3.45Å
77	Y	90.2	Very high	87	Confident	5 Å²	5	51 Å²	51	2%	0.02	27%	0.269	C	S	.	.	H	α-helix	trans	-66.6	-41.5	175.1	-83.8	-64.8	0	0	0	113.5	L73 C74 L75 W79 L80 D81 F99 D100 L103	L73-Y77 HydrophobicContact CD1-CD2 3.99Å; L73-Y77 HydrophobicContact CD1-CE2 3.54Å; L73-Y77 HydrophobicContact CD2-CE2 4.36Å; L73-Y77 HydrophobicContact CG-CD2 3.93Å; L73-Y77 HydrophobicContact CG-CE2 3.74Å; L73-Y77 WeakPolarHBondContact O-CD2 3.37Å; L73-Y77 PolarHBondContact O-N 2.92Å; C74-Y77 PolarHBondContact O-N 2.87Å; L75-Y77 PolarHBondContact O-N 3.47Å; Y77-W79 PolarHBondContact O-N 3.11Å; Y77-L80 HydrophobicContact CD1-CD1 4.2Å; Y77-L80 HydrophobicContact CE1-CD1 4.44Å; Y77-L80 PolarHBondContact O-N 3.27Å; Y77-D81 WeakPolarHBondContact O-CB 3.36Å; Y77-D81 PolarHBondContact O-N 3.04Å; Y77-F99 WeakPolarHBondContact OH-CD1 3.31Å; Y77-D100 HydrophobicContact CD1-CB 4.31Å; Y77-D100 HydrophobicContact CE1-CB 3.62Å; Y77-D100 WeakPolarHBondContact CE2-OD1 3.36Å; Y77-D100 VanDerWaalsContact OH-CA 3.23Å; Y77-D100 WeakPolarHBondContact OH-CA 3.46Å; Y77-D100 PolarHBondContact OH-N 3.33Å; Y77-L103 HydrophobicContact CE2-CD1 4.23Å; Y77-L103 WeakPolarHBondContact OH-CD1 3.43Å
78	L	88.8	Confident	85.9	Confident	23 Å²	23	56.8 Å²	56.8	12%	0.12	30%	0.304	C	S	.	.	H	α-helix	trans	-60.3	-38.1	174	-72	169.7	0	0	0	111.1	Y18 V24 R27 L28 C74 L75 L82	Y18-L78 PolarHBondContact OH-O 2.92Å; V24-L78 HydrophobicContact CG1-CD2 3.88Å; R27-L78 HydrophobicContact CB-CD2 4.43Å; L28-L78 HydrophobicContact CD2-CD1 4.12Å; C74-L78 WeakPolarHBondContact O-CB 3.32Å; C74-L78 VanDerWaalsContact O-CG 3.24Å; C74-L78 WeakPolarHBondContact O-CG 3.39Å; C74-L78 PolarHBondContact O-N 2.94Å; L75-L78 HydrophobicContact CD2-CD1 4.44Å; L75-L78 PolarHBondContact O-N 3.29Å; L78-L82 WeakPolarHBondContact O-CG 3.38Å; L78-L82 PolarHBondContact O-N 3.44Å
79	W	88.9	Confident	85.1	Confident	165 Å²	165	56.4 Å²	56.4	63%	0.625	30%	0.301	S	S	*	.	H	α-helix	trans	-71.2	-40.6	175.9	-173.3	68.7	0	0	0	112.8	L75 A76 Y77 D81 L82 I83	L75-W79 WeakPolarHBondContact O-CB 3.43Å; L75-W79 PolarHBondContact O-N 3.43Å; A76-W79 PolarHBondContact O-N 3.4Å; Y77-W79 PolarHBondContact O-N 3.11Å; W79-D81 VanDerWaalsContact C-N 3.33Å; W79-D81 PolarHBondContact O-N 3.32Å; W79-L82 WeakPolarHBondContact O-CB 3.49Å; W79-L82 PolarHBondContact O-N 3.2Å; W79-I83 HydrophobicContact CD2-CD1 3.66Å; W79-I83 VanDerWaalsContact CE2-CD1 3.46Å; W79-I83 HydrophobicContact CE3-CD1 3.74Å; W79-I83 HydrophobicContact CG-CD1 4.48Å; W79-I83 HydrophobicContact CH2-CD1 3.5Å; W79-I83 VanDerWaalsContact CH2-CD1 3.5Å; W79-I83 HydrophobicContact CZ2-CD1 3.42Å; W79-I83 VanDerWaalsContact CZ2-CD1 3.42Å; W79-I83 HydrophobicContact CZ3-CD1 3.65Å; W79-I83 PolarHBondContact O-N 3.41Å
80	L	87.8	Confident	84.2	Confident	57 Å²	57	57.5 Å²	57.5	30%	0.298	31%	0.305	S	S	.	.	H	α-helix	trans	-60.3	-43.8	173.3	-75.4	171.6	0	0	0	111.2	A76 Y77 L82 I83 V84 I96	A76-L80 WeakPolarHBondContact O-CB 3.31Å; A76-L80 VanDerWaalsContact O-CG 3.29Å; A76-L80 WeakPolarHBondContact O-CG 3.39Å; A76-L80 PolarHBondContact O-N 3.45Å; Y77-L80 HydrophobicContact CD1-CD1 4.2Å; Y77-L80 HydrophobicContact CE1-CD1 4.44Å; Y77-L80 PolarHBondContact O-N 3.27Å; L80-L82 PolarHBondContact O-N 3.4Å; L80-I83 PolarHBondContact O-N 3.42Å; L80-I83 VanDerWaalsContact O-N 3.08Å; L80-V84 VanDerWaalsContact O-CB 3.28Å; L80-V84 WeakPolarHBondContact O-CB 3.38Å; L80-V84 WeakPolarHBondContact O-CG2 3.37Å; L80-V84 PolarHBondContact O-N 3.06Å; L80-I96 HydrophobicContact CD1-CG2 4.49Å
81	D	82.3	Confident	83.7	Confident	22 Å²	22	62.6 Å²	62.6	12%	0.118	33%	0.332	C	S	.	.	H	α-helix	trans	-59.6	-35.1	178.1	-75.5	-19.7	0	0	0	111.3	Y18 Y77 W79	Y18-D81 HydrophobicContact CE2-CB 3.76Å; Y18-D81 VanDerWaalsContact OH-CB 3.3Å; Y18-D81 WeakPolarHBondContact OH-CB 3.35Å; Y77-D81 WeakPolarHBondContact O-CB 3.36Å; Y77-D81 PolarHBondContact O-N 3.04Å; W79-D81 VanDerWaalsContact C-N 3.33Å; W79-D81 PolarHBondContact O-N 3.32Å
82	L	80.5	Confident	83.2	Confident	83 Å²	83	64.7 Å²	64.7	44%	0.435	34%	0.343	S	S	.	.	H	α-helix	trans	-69	-34.9	174.7	-66	171.6	0	0	0	113.5	Y18 L78 W79 L80	Y18-L82 HydrophobicContact CE1-CD2 4.47Å; Y18-L82 HydrophobicContact CE2-CD2 4.2Å; L78-L82 WeakPolarHBondContact O-CG 3.38Å; L78-L82 PolarHBondContact O-N 3.44Å; W79-L82 WeakPolarHBondContact O-CB 3.49Å; W79-L82 PolarHBondContact O-N 3.2Å; L80-L82 PolarHBondContact O-N 3.4Å
83	I	81.9	Confident	82.6	Confident	64 Å²	64	61.3 Å²	61.3	33%	0.328	32%	0.322	S	S	.	.	H	α-helix	trans	-80.9	-40.5	-179.3	-67.4	169.3	0	0	0	111	W79 L80 D85 N86 I87	W79-I83 HydrophobicContact CD2-CD1 3.66Å; W79-I83 VanDerWaalsContact CE2-CD1 3.46Å; W79-I83 HydrophobicContact CE3-CD1 3.74Å; W79-I83 HydrophobicContact CG-CD1 4.48Å; W79-I83 HydrophobicContact CH2-CD1 3.5Å; W79-I83 VanDerWaalsContact CH2-CD1 3.5Å; W79-I83 HydrophobicContact CZ2-CD1 3.42Å; W79-I83 VanDerWaalsContact CZ2-CD1 3.42Å; W79-I83 HydrophobicContact CZ3-CD1 3.65Å; W79-I83 PolarHBondContact O-N 3.41Å; L80-I83 PolarHBondContact O-N 3.42Å; L80-I83 VanDerWaalsContact O-N 3.08Å; I83-D85 PolarHBondContact O-N 3.45Å; I83-N86 VanDerWaalsContact O-CB 3.29Å; I83-N86 WeakPolarHBondContact O-CB 3.23Å; I83-N86 PolarHBondContact O-N 3.23Å; I83-I87 HydrophobicContact CG2-CD1 4.37Å
84	V	76.1	Confident	82.3	Confident	15 Å²	15	60.8 Å²	60.8	9%	0.091	32%	0.32	C	S	.	.	H	α-helix	trans	-62.3	-29.5	-176.4	168.4	0	0	0	0	111.6	L80 N86 I87 R93 I96	L80-V84 VanDerWaalsContact O-CB 3.28Å; L80-V84 WeakPolarHBondContact O-CB 3.38Å; L80-V84 WeakPolarHBondContact O-CG2 3.37Å; L80-V84 PolarHBondContact O-N 3.06Å; V84-N86 PolarHBondContact O-N 3.01Å; V84-N86 VanDerWaalsContact O-N 3.16Å; V84-I87 PolarHBondContact O-N 3.45Å; V84-R93 HydrophobicContact CG1-CB 4.39Å; V84-R93 HydrophobicContact CG1-CG 3.53Å; V84-R93 PolarHBondContact O-NH2 3.5Å; V84-I96 HydrophobicContact CG2-CD1 3.41Å; V84-I96 VanDerWaalsContact CG2-CD1 3.41Å
85	D	68.2	Low	82	Confident	38 Å²	38	69.8 Å²	69.8	20%	0.203	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-25.6	173	-75	-19.4	0	0	0	112.3	K21 I83 R93	K21-D85 IonicContact NZ-OD1 2.79Å; K21-D85 PolarHBondContact NZ-OD1 3.4Å; K21-D85 IonicContact NZ-OD2 3.47Å; I83-D85 PolarHBondContact O-N 3.45Å; D85-R93 PolarHBondContact O-NH2 2.95Å
86	N	69.2	Low	81.8	Confident	143 Å²	143	67 Å²	67	77%	0.765	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-17	174.4	-164.9	36.2	0	0	0	113.8	I83 V84	I83-N86 VanDerWaalsContact O-CB 3.29Å; I83-N86 WeakPolarHBondContact O-CB 3.23Å; I83-N86 PolarHBondContact O-N 3.23Å; V84-N86 PolarHBondContact O-N 3.01Å; V84-N86 VanDerWaalsContact O-N 3.16Å
87	I	70	Confident	81.6	Confident	52 Å²	52	65.7 Å²	65.7	27%	0.267	33%	0.328	S	S	.	.			trans	-89.7	119.6	-177	-60	175.7	0	0	0	109.3	I83 V84 I92 R93	I83-I87 HydrophobicContact CG2-CD1 4.37Å; V84-I87 PolarHBondContact O-N 3.45Å; I87-I92 HydrophobicContact CD1-CG2 4.3Å; I87-I92 HydrophobicContact CG2-CB 4.33Å; I87-I92 HydrophobicContact CG2-CD1 4.01Å; I87-I92 HydrophobicContact CG2-CG2 4.49Å; I87-R93 VanDerWaalsContact O-CZ 3.26Å; I87-R93 PolarHBondContact O-NE 3.26Å; I87-R93 PolarHBondContact O-NH2 3.07Å
88	T	71.3	Confident	81.6	Confident	121 Å²	121	71.4 Å²	71.4	74%	0.742	35%	0.352	S	S	*	.			trans	-77.2	-19.2	178.4	54	0	0	0	0	113.8	T10 I90	T10-T88 HydrophobicContact CG2-CG2 4.12Å; T88-I90 PolarHBondContact O-N 3.45Å
89	S	78.6	Confident	81.7	Confident	41 Å²	41	76 Å²	76	29%	0.287	37%	0.372	S	S	.	.			trans	-72.1	117.9	-178.1	175.9	0	0	0	0	111.6	D91	S89-D91 VanDerWaalsContact C-N 3.29Å; S89-D91 PolarHBondContact O-N 3.23Å
90	I	78.3	Confident	81.9	Confident	48 Å²	48	68.4 Å²	68.4	25%	0.246	34%	0.343	C	S	.	.	H	α-helix	trans	-64.7	-33.9	176.7	-150.1	95.9	0	0	0	112.1	T88 I92 R93 L94 C172	T88-I90 PolarHBondContact O-N 3.45Å; I90-I92 VanDerWaalsContact C-N 3.33Å; I90-I92 PolarHBondContact O-N 3.48Å; I90-R93 WeakPolarHBondContact O-CB 3.35Å; I90-R93 PolarHBondContact O-N 3.4Å; I90-L94 HydrophobicContact CG1-CD1 4.42Å; I90-L94 WeakPolarHBondContact O-CG 3.34Å; I90-L94 PolarHBondContact O-N 3Å; I90-C172 HydrophobicContact CD1-CB 3.91Å; I90-C172 WeakPolarHBondContact CD1-SG 3.3Å; I90-C172 HydrophobicContact CG1-CB 3.75Å; I90-C172 VanDerWaalsContact CG1-SG 3.58Å
91	D	82.4	Confident	82.1	Confident	108 Å²	108	67.1 Å²	67.1	58%	0.578	34%	0.338	S	S	*	.	H	α-helix	trans	-65.1	-39	-175.5	-61.8	-40.6	0	0	0	111.8	S89 R95	S89-D91 VanDerWaalsContact C-N 3.29Å; S89-D91 PolarHBondContact O-N 3.23Å; D91-R95 VanDerWaalsContact O-CB 3.32Å; D91-R95 WeakPolarHBondContact O-CB 3.45Å; D91-R95 PolarHBondContact O-N 2.96Å
92	I	84.7	Confident	82.6	Confident	75 Å²	75	69.9 Å²	69.9	39%	0.385	36%	0.355	S	S	.	.	H	α-helix	trans	-67.1	-43.6	176.8	-63	175.3	0	0	0	109.8	I87 I90 L94 R95 I96	I87-I92 HydrophobicContact CD1-CG2 4.3Å; I87-I92 HydrophobicContact CG2-CB 4.33Å; I87-I92 HydrophobicContact CG2-CD1 4.01Å; I87-I92 HydrophobicContact CG2-CG2 4.49Å; I90-I92 VanDerWaalsContact C-N 3.33Å; I90-I92 PolarHBondContact O-N 3.48Å; I92-L94 PolarHBondContact O-N 3.38Å; I92-R95 PolarHBondContact O-N 3.5Å; I92-I96 HydrophobicContact CG2-CD1 3.77Å; I92-I96 HydrophobicContact CG2-CG1 4.47Å; I92-I96 WeakPolarHBondContact O-CG1 3.44Å; I92-I96 PolarHBondContact O-N 3.26Å
93	R	83.3	Confident	83.2	Confident	45 Å²	45	67.2 Å²	67.2	17%	0.17	34%	0.341	C	S	.	.	H	α-helix	trans	-58.2	-49.6	177.4	-66.3	-179.5	174.6	-149.3	-5.7	111.4	V84 D85 I87 I90 R95 I96 A97	V84-R93 HydrophobicContact CG1-CB 4.39Å; V84-R93 HydrophobicContact CG1-CG 3.53Å; V84-R93 PolarHBondContact O-NH2 3.5Å; D85-R93 PolarHBondContact O-NH2 2.95Å; I87-R93 VanDerWaalsContact O-CZ 3.26Å; I87-R93 PolarHBondContact O-NE 3.26Å; I87-R93 PolarHBondContact O-NH2 3.07Å; I90-R93 WeakPolarHBondContact O-CB 3.35Å; I90-R93 PolarHBondContact O-N 3.4Å; R93-R95 PolarHBondContact O-N 3.3Å; R93-I96 PolarHBondContact O-N 3.46Å; R93-A97 WeakPolarHBondContact O-CB 3.26Å; R93-A97 PolarHBondContact O-N 2.96Å
94	L	86.1	Confident	83.8	Confident	28 Å²	28	64.6 Å²	64.6	15%	0.147	33%	0.329	C	S	.	.	H	α-helix	trans	-64.6	-39.4	178.8	-71	174.9	0	0	0	111.8	I90 I92 A97 K98 Y165 T168 E169	I90-L94 HydrophobicContact CG1-CD1 4.42Å; I90-L94 WeakPolarHBondContact O-CG 3.34Å; I90-L94 PolarHBondContact O-N 3Å; I92-L94 PolarHBondContact O-N 3.38Å; L94-A97 PolarHBondContact O-N 3.33Å; L94-K98 VanDerWaalsContact O-CB 3.3Å; L94-K98 WeakPolarHBondContact O-CB 3.41Å; L94-K98 PolarHBondContact O-N 2.89Å; L94-Y165 HydrophobicContact CB-CE2 4.11Å; L94-Y165 HydrophobicContact CD2-CD2 3.98Å; L94-Y165 HydrophobicContact CD2-CE2 3.91Å; L94-Y165 VanDerWaalsContact O-CE2 3.31Å; L94-Y165 WeakPolarHBondContact O-CE2 3.22Å; L94-T168 HydrophobicContact CD2-CG2 3.99Å; L94-E169 HydrophobicContact CD2-CB 4.13Å
95	R	88.5	Confident	84.6	Confident	194 Å²	194	65.6 Å²	65.6	73%	0.732	34%	0.342	S	S	*	.	H	α-helix	trans	-62.8	-44.5	176.7	-173.1	179.1	-62.9	-170.5	0.9	112.3	D91 I92 R93 K98 F99	D91-R95 VanDerWaalsContact O-CB 3.32Å; D91-R95 WeakPolarHBondContact O-CB 3.45Å; D91-R95 PolarHBondContact O-N 2.96Å; I92-R95 PolarHBondContact O-N 3.5Å; R93-R95 PolarHBondContact O-N 3.3Å; R95-K98 PolarHBondContact O-N 3.39Å; R95-F99 WeakPolarHBondContact O-CB 3.19Å; R95-F99 PolarHBondContact O-N 2.96Å
96	I	88.9	Confident	85.9	Confident	36 Å²	36	67.9 Å²	67.9	19%	0.185	35%	0.354	C	S	.	.	H	α-helix	trans	-65.4	-45.5	177.9	-66.6	167.3	0	0	0	110.3	L80 V84 I92 R93 K98 F99 D100	L80-I96 HydrophobicContact CD1-CG2 4.49Å; V84-I96 HydrophobicContact CG2-CD1 3.41Å; V84-I96 VanDerWaalsContact CG2-CD1 3.41Å; I92-I96 HydrophobicContact CG2-CD1 3.77Å; I92-I96 HydrophobicContact CG2-CG1 4.47Å; I92-I96 WeakPolarHBondContact O-CG1 3.44Å; I92-I96 PolarHBondContact O-N 3.26Å; R93-I96 PolarHBondContact O-N 3.46Å; I96-K98 PolarHBondContact O-N 2.95Å; I96-F99 WeakPolarHBondContact O-CB 3.28Å; I96-F99 PolarHBondContact O-N 3.04Å; I96-D100 PolarHBondContact O-N 3.46Å
97	A	87.7	Confident	87	Confident	17 Å²	17	62.8 Å²	62.8	14%	0.14	32%	0.323	C	S	.	.	H	α-helix	trans	-61.9	-41.5	177.5	0	0	0	0	0	112.2	R93 L94 F99 D100 V101 Y165	R93-A97 WeakPolarHBondContact O-CB 3.26Å; R93-A97 PolarHBondContact O-N 2.96Å; L94-A97 PolarHBondContact O-N 3.33Å; A97-F99 VanDerWaalsContact C-N 3.34Å; A97-F99 PolarHBondContact O-N 2.87Å; A97-D100 WeakPolarHBondContact O-CB 3.37Å; A97-D100 PolarHBondContact O-N 3.31Å; A97-V101 WeakPolarHBondContact O-CG2 3.48Å; A97-V101 PolarHBondContact O-N 3.19Å; A97-Y165 HydrophobicContact CB-CD2 3.82Å
98	K	89.4	Confident	88.2	Confident	124 Å²	124	61.1 Å²	61.1	54%	0.539	32%	0.317	S	S	.	.	H	α-helix	trans	-61.1	-43.3	174	-177.6	177.1	178.9	177.6	0	111.9	L94 R95 I96 D100 V101 V102 Y165	L94-K98 VanDerWaalsContact O-CB 3.3Å; L94-K98 WeakPolarHBondContact O-CB 3.41Å; L94-K98 PolarHBondContact O-N 2.89Å; R95-K98 PolarHBondContact O-N 3.39Å; I96-K98 PolarHBondContact O-N 2.95Å; K98-D100 VanDerWaalsContact C-N 3.33Å; K98-V101 PolarHBondContact O-N 2.75Å; K98-V102 WeakPolarHBondContact O-CG2 3.36Å; K98-V102 PolarHBondContact O-N 2.62Å; K98-Y165 HydrophobicContact CB-CD2 4.4Å; K98-Y165 HydrophobicContact CB-CE2 3.85Å
99	F	92.4	Very high	89.3	Confident	120 Å²	120	61.3 Å²	61.3	53%	0.526	31%	0.307	S	S	.	.	H	α-helix	trans	-62.8	-40.4	177.3	-176.8	-116.8	0	0	0	111.7	Y77 R95 I96 A97 V102 L103	Y77-F99 WeakPolarHBondContact OH-CD1 3.31Å; R95-F99 WeakPolarHBondContact O-CB 3.19Å; R95-F99 PolarHBondContact O-N 2.96Å; I96-F99 WeakPolarHBondContact O-CB 3.28Å; I96-F99 PolarHBondContact O-N 3.04Å; A97-F99 VanDerWaalsContact C-N 3.34Å; A97-F99 PolarHBondContact O-N 2.87Å; F99-V102 PolarHBondContact O-N 3.49Å; F99-L103 HydrophobicContact CD1-CD1 3.71Å; F99-L103 HydrophobicContact CD2-CD1 4.29Å; F99-L103 HydrophobicContact CE1-CD1 3.16Å; F99-L103 HydrophobicContact CE1-CG 4.29Å; F99-L103 HydrophobicContact CE2-CD1 3.8Å; F99-L103 HydrophobicContact CE2-CG 4.16Å; F99-L103 HydrophobicContact CG-CD1 4.25Å; F99-L103 HydrophobicContact CZ-CD1 3.21Å; F99-L103 HydrophobicContact CZ-CG 4.03Å; F99-L103 WeakPolarHBondContact O-CB 3.42Å; F99-L103 PolarHBondContact O-N 3.47Å
100	D	91.8	Very high	90.1	Very high	5 Å²	5	61.4 Å²	61.4	3%	0.027	31%	0.305	C	S	.	.	H	α-helix	trans	-61.5	-43	174.4	-175.6	56.8	0	0	0	113.5	R27 Y77 I96 A97 K98 V102 L103 S104 T161	R27-D100 IonicContact CZ-OD1 3.62Å; R27-D100 VanDerWaalsContact CZ-OD1 3.29Å; R27-D100 IonicContact CZ-OD2 3.28Å; R27-D100 IonicContact NH1-OD1 3.76Å; R27-D100 PolarHBondContact NH1-OD1 3.07Å; R27-D100 IonicContact NH1-OD2 3.29Å; R27-D100 IonicContact NH2-OD1 2.78Å; R27-D100 PolarHBondContact NH2-OD1 2.93Å; R27-D100 IonicContact NH2-OD2 2.91Å; R27-D100 PolarHBondContact NH2-OD2 3.33Å; Y77-D100 HydrophobicContact CD1-CB 4.31Å; Y77-D100 HydrophobicContact CE1-CB 3.62Å; Y77-D100 WeakPolarHBondContact CE2-OD1 3.36Å; Y77-D100 VanDerWaalsContact OH-CA 3.23Å; Y77-D100 WeakPolarHBondContact OH-CA 3.46Å; Y77-D100 PolarHBondContact OH-N 3.33Å; I96-D100 PolarHBondContact O-N 3.46Å; A97-D100 WeakPolarHBondContact O-CB 3.37Å; A97-D100 PolarHBondContact O-N 3.31Å; K98-D100 VanDerWaalsContact C-N 3.33Å; D100-V102 PolarHBondContact O-N 3.27Å; D100-L103 PolarHBondContact O-N 2.97Å; D100-S104 VanDerWaalsContact O-CB 3.3Å; D100-S104 WeakPolarHBondContact O-CB 3.35Å; D100-S104 PolarHBondContact O-N 2.93Å; D100-S104 PolarHBondContact O-OG 2.91Å; D100-T161 HydrophobicContact CB-CG2 4.18Å; D100-T161 WeakPolarHBondContact OD2-CG2 3.41Å; D100-T161 PolarHBondContact OD2-OG1 3.39Å; D100-T161 VanDerWaalsContact OD2-OG1 3.06Å
101	V	92.1	Very high	90.8	Very high	31 Å²	31	59.1 Å²	59.1	19%	0.188	29%	0.293	C	S	.	.	H	α-helix	trans	-59.1	-48.1	174.9	175.7	0	0	0	0	110.9	A97 K98 S104 G105 T161 F162	A97-V101 WeakPolarHBondContact O-CG2 3.48Å; A97-V101 PolarHBondContact O-N 3.19Å; K98-V101 PolarHBondContact O-N 2.75Å; V101-S104 PolarHBondContact O-N 3.3Å; V101-S104 PolarHBondContact O-OG 3.36Å; V101-G105 PolarHBondContact O-N 2.91Å; V101-G105 VanDerWaalsContact O-N 3.16Å; V101-T161 HydrophobicContact CG2-CG2 3.59Å; V101-F162 HydrophobicContact CG1-CB 4.14Å; V101-F162 HydrophobicContact CG1-CD2 4.09Å; V101-F162 HydrophobicContact CG2-CB 4.03Å
102	V	93.7	Very high	91.4	Very high	80 Å²	80	56.7 Å²	56.7	49%	0.485	28%	0.279	S	S	.	.	H	α-helix	trans	-62.9	-46.7	-179.8	174.4	0	0	0	0	111	K98 F99 D100 G105 I106	K98-V102 WeakPolarHBondContact O-CG2 3.36Å; K98-V102 PolarHBondContact O-N 2.62Å; F99-V102 PolarHBondContact O-N 3.49Å; D100-V102 PolarHBondContact O-N 3.27Å; V102-G105 PolarHBondContact O-N 3.42Å; V102-I106 HydrophobicContact CG1-CD1 3.9Å; V102-I106 WeakPolarHBondContact O-CG1 3.24Å; V102-I106 PolarHBondContact O-N 3.48Å
103	L	93.6	Very high	91.9	Very high	27 Å²	27	55.8 Å²	55.8	14%	0.141	28%	0.275	C	S	.	.	H	α-helix	trans	-65.4	-41.8	-179.9	-85.3	174.1	0	0	0	112.4	L73 Y77 F99 D100 G105 I106 W107	L73-L103 HydrophobicContact CD1-CD1 4.13Å; Y77-L103 HydrophobicContact CE2-CD1 4.23Å; Y77-L103 WeakPolarHBondContact OH-CD1 3.43Å; F99-L103 HydrophobicContact CD1-CD1 3.71Å; F99-L103 HydrophobicContact CD2-CD1 4.29Å; F99-L103 HydrophobicContact CE1-CD1 3.16Å; F99-L103 HydrophobicContact CE1-CG 4.29Å; F99-L103 HydrophobicContact CE2-CD1 3.8Å; F99-L103 HydrophobicContact CE2-CG 4.16Å; F99-L103 HydrophobicContact CG-CD1 4.25Å; F99-L103 HydrophobicContact CZ-CD1 3.21Å; F99-L103 HydrophobicContact CZ-CG 4.03Å; F99-L103 WeakPolarHBondContact O-CB 3.42Å; F99-L103 PolarHBondContact O-N 3.47Å; D100-L103 PolarHBondContact O-N 2.97Å; L103-G105 VanDerWaalsContact C-N 3.26Å; L103-G105 PolarHBondContact O-N 3.4Å; L103-I106 PolarHBondContact O-N 3.12Å; L103-W107 VanDerWaalsContact O-CB 3.29Å; L103-W107 WeakPolarHBondContact O-CB 3.48Å; L103-W107 PolarHBondContact O-N 3.34Å
104	S	93.1	Very high	92.3	Very high	9 Å²	9	53.7 Å²	53.7	6%	0.063	27%	0.267	C	S	.	.	H	α-helix	trans	-58	-39.2	175.6	69.1	0	0	0	0	112.2	D100 V101 W107 S108 G158	D100-S104 VanDerWaalsContact O-CB 3.3Å; D100-S104 WeakPolarHBondContact O-CB 3.35Å; D100-S104 PolarHBondContact O-N 2.93Å; D100-S104 PolarHBondContact O-OG 2.91Å; V101-S104 PolarHBondContact O-N 3.3Å; V101-S104 PolarHBondContact O-OG 3.36Å; S104-W107 PolarHBondContact O-N 3.39Å; S104-S108 WeakPolarHBondContact O-CB 3.32Å; S104-S108 PolarHBondContact O-N 3.27Å; S104-S108 PolarHBondContact O-OG 3.2Å; S104-G158 WeakPolarHBondContact OG-CA 3.38Å
105	G	93.2	Very high	92.7	Very high	36 Å²	36	54.9 Å²	54.9	37%	0.371	27%	0.271	S	S	.	.	H	α-helix	trans	-63.3	-52	174.3	0	0	0	0	0	112.5	V101 V102 L103 W107 S108 F109	V101-G105 PolarHBondContact O-N 2.91Å; V101-G105 VanDerWaalsContact O-N 3.16Å; V102-G105 PolarHBondContact O-N 3.42Å; L103-G105 VanDerWaalsContact C-N 3.26Å; L103-G105 PolarHBondContact O-N 3.4Å; G105-W107 VanDerWaalsContact C-N 3.25Å; G105-W107 PolarHBondContact O-N 2.94Å; G105-S108 PolarHBondContact O-N 3.07Å; G105-S108 PolarHBondContact O-OG 2.85Å; G105-F109 PolarHBondContact O-N 2.81Å; G105-F109 VanDerWaalsContact O-N 3.14Å
106	I	95.4	Very high	92.9	Very high	86 Å²	86	48.8 Å²	48.8	44%	0.441	26%	0.257	S	S	.	.	H	α-helix	trans	-57.2	-43.7	176.6	-65.6	167.6	0	0	0	110.3	V102 L103 F109 L110	V102-I106 HydrophobicContact CG1-CD1 3.9Å; V102-I106 WeakPolarHBondContact O-CG1 3.24Å; V102-I106 PolarHBondContact O-N 3.48Å; L103-I106 PolarHBondContact O-N 3.12Å; I106-F109 PolarHBondContact O-N 3.45Å; I106-L110 HydrophobicContact CG2-CD1 4.26Å; I106-L110 WeakPolarHBondContact O-CG 3.23Å; I106-L110 PolarHBondContact O-N 2.91Å
107	W	93.1	Very high	93.1	Very high	35 Å²	35	50.3 Å²	50.3	13%	0.133	27%	0.265	C	S	.	.	H	α-helix	trans	-65.3	-45.5	-178.7	-134.4	-108.1	0	0	0	112	T70 L73 L103 S104 G105 F109 L110 W111 L154	T70-W107 PolarHBondContact OG1-NE1 3.37Å; L73-W107 HydrophobicContact CD2-CD2 3.98Å; L73-W107 HydrophobicContact CD2-CE3 4Å; L73-W107 HydrophobicContact CD2-CG 4.46Å; L73-W107 HydrophobicContact CD2-CZ3 4.29Å; L103-W107 VanDerWaalsContact O-CB 3.29Å; L103-W107 WeakPolarHBondContact O-CB 3.48Å; L103-W107 PolarHBondContact O-N 3.34Å; S104-W107 PolarHBondContact O-N 3.39Å; G105-W107 VanDerWaalsContact C-N 3.25Å; G105-W107 PolarHBondContact O-N 2.94Å; W107-F109 PolarHBondContact O-N 3.41Å; W107-L110 HydrophobicContact CE3-CD1 4.04Å; W107-L110 HydrophobicContact CZ3-CD1 4.18Å; W107-L110 WeakPolarHBondContact O-CB 3.26Å; W107-L110 PolarHBondContact O-N 2.92Å; W107-L110 VanDerWaalsContact O-N 3.1Å; W107-W111 AromaticContact CD1-CD1 3.63Å; W107-W111 AromaticContact CD1-NE1 3.43Å; W107-W111 AromaticContact NE1-NE1 3.62Å; W107-W111 VanDerWaalsContact O-CD1 3.25Å; W107-W111 PolarHBondContact O-N 3.01Å; W107-L154 HydrophobicContact CB-CD1 4.36Å
108	S	94.2	Very high	93.3	Very high	18 Å²	18	49.5 Å²	49.5	13%	0.126	26%	0.259	C	S	.	.	H	α-helix	trans	-57.7	-38.1	176.3	71.3	0	0	0	0	112.2	S104 G105 W111 L112	S104-S108 WeakPolarHBondContact O-CB 3.32Å; S104-S108 PolarHBondContact O-N 3.27Å; S104-S108 PolarHBondContact O-OG 3.2Å; G105-S108 PolarHBondContact O-N 3.07Å; G105-S108 PolarHBondContact O-OG 2.85Å; S108-W111 PolarHBondContact O-N 2.9Å; S108-L112 PolarHBondContact O-N 3.42Å
109	F	94.9	Very high	93.4	Very high	124 Å²	124	45.2 Å²	45.2	54%	0.544	24%	0.244	S	C	.	.	H	α-helix	trans	-68.4	-39	176.3	-176.9	-107.8	0	0	0	112.4	G105 I106 W107 W111 L112 I113	G105-F109 PolarHBondContact O-N 2.81Å; G105-F109 VanDerWaalsContact O-N 3.14Å; I106-F109 PolarHBondContact O-N 3.45Å; W107-F109 PolarHBondContact O-N 3.41Å; F109-W111 VanDerWaalsContact C-N 3.35Å; F109-L112 HydrophobicContact CD2-CD2 4.39Å; F109-L112 WeakPolarHBondContact O-CB 3.37Å; F109-L112 PolarHBondContact O-N 3.46Å; F109-I113 HydrophobicContact CD1-CD1 3.74Å; F109-I113 HydrophobicContact CD1-CG1 4.48Å; F109-I113 HydrophobicContact CE1-CD1 3.38Å; F109-I113 HydrophobicContact CE1-CG1 4.16Å; F109-I113 HydrophobicContact CZ-CD1 3.95Å; F109-I113 HydrophobicContact CZ-CG1 4.3Å; F109-I113 WeakPolarHBondContact O-CG1 3.42Å; F109-I113 PolarHBondContact O-N 3.44Å
110	L	95	Very high	93.4	Very high	44 Å²	44	44.2 Å²	44.2	23%	0.23	24%	0.244	C	C	.	.	H	α-helix	trans	-63.7	-39.9	173.7	-68.9	172.7	0	0	0	112.1	Y62 L66 I106 W107 L112 I113 A114	Y62-L110 PolarHBondContact OH-O 2.89Å; L66-L110 HydrophobicContact CD1-CB 4.34Å; L66-L110 WeakPolarHBondContact CD1-O 3.26Å; L66-L110 HydrophobicContact CD2-CB 3.76Å; L66-L110 HydrophobicContact CD2-CD1 4.03Å; L66-L110 HydrophobicContact CD2-CG 4.37Å; I106-L110 HydrophobicContact CG2-CD1 4.26Å; I106-L110 WeakPolarHBondContact O-CG 3.23Å; I106-L110 PolarHBondContact O-N 2.91Å; W107-L110 HydrophobicContact CE3-CD1 4.04Å; W107-L110 HydrophobicContact CZ3-CD1 4.18Å; W107-L110 WeakPolarHBondContact O-CB 3.26Å; W107-L110 PolarHBondContact O-N 2.92Å; W107-L110 VanDerWaalsContact O-N 3.1Å; L110-L112 VanDerWaalsContact C-N 3.33Å; L110-L112 PolarHBondContact O-N 3.28Å; L110-I113 HydrophobicContact CD2-CD1 4.44Å; L110-I113 PolarHBondContact O-N 3.45Å; L110-A114 PolarHBondContact O-N 3.02Å
111	W	93.3	Very high	93.4	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-64.9	-35.6	173.6	-81.7	89.9	0	0	0	112.4	A34 T70 W107 S108 F109 A114 F115 N147 S150 M151 L154	A34-W111 HydrophobicContact CB-CZ2 4.47Å; T70-W111 HydrophobicContact CG2-CZ2 4.4Å; T70-W111 WeakPolarHBondContact OG1-CZ2 3.42Å; T70-W111 PolarHBondContact OG1-NE1 3.35Å; W107-W111 AromaticContact CD1-CD1 3.63Å; W107-W111 AromaticContact CD1-NE1 3.43Å; W107-W111 AromaticContact NE1-NE1 3.62Å; W107-W111 VanDerWaalsContact O-CD1 3.25Å; W107-W111 PolarHBondContact O-N 3.01Å; S108-W111 PolarHBondContact O-N 2.9Å; F109-W111 VanDerWaalsContact C-N 3.35Å; W111-A114 WeakPolarHBondContact O-CB 3.29Å; W111-A114 PolarHBondContact O-N 3.35Å; W111-F115 PolarHBondContact O-N 3.31Å; W111-N147 HydrophobicContact CE3-CB 3.94Å; W111-N147 VanDerWaalsContact CE3-OD1 3.31Å; W111-N147 HydrophobicContact CZ3-CB 4.11Å; W111-N147 VanDerWaalsContact CZ3-OD1 3.28Å; W111-N147 WeakPolarHBondContact CZ3-OD1 3.39Å; W111-S150 VanDerWaalsContact CE2-OG 3.23Å; W111-S150 VanDerWaalsContact CE3-CB 3.47Å; W111-S150 WeakPolarHBondContact CH2-OG 3.46Å; W111-S150 WeakPolarHBondContact CZ2-OG 3.39Å; W111-S150 VanDerWaalsContact CZ3-CB 3.46Å; W111-M151 HydrophobicContact CB-CB 4.01Å; W111-L154 HydrophobicContact CG-CD1 3.87Å
112	L	95	Very high	93.2	Very high	56 Å²	56	48.4 Å²	48.4	29%	0.293	26%	0.256	S	S	.	.	H	α-helix	trans	-62.8	-45.7	171.2	176.8	64.5	0	0	0	111.6	S108 F109 L110 A114 F115 C116 M151	S108-L112 PolarHBondContact O-N 3.42Å; F109-L112 HydrophobicContact CD2-CD2 4.39Å; F109-L112 WeakPolarHBondContact O-CB 3.37Å; F109-L112 PolarHBondContact O-N 3.46Å; L110-L112 VanDerWaalsContact C-N 3.33Å; L110-L112 PolarHBondContact O-N 3.28Å; L112-A114 VanDerWaalsContact C-N 3.27Å; L112-A114 PolarHBondContact O-N 3.27Å; L112-F115 HydrophobicContact CD1-CD1 4.39Å; L112-F115 PolarHBondContact O-N 2.96Å; L112-C116 PolarHBondContact O-N 3.4Å; L112-C116 PolarHBondContact O-SG 3Å; L112-M151 HydrophobicContact CB-CE 4.17Å; L112-M151 HydrophobicContact CB-CG 4.47Å; L112-M151 HydrophobicContact CB-SD 3.83Å; L112-M151 HydrophobicContact CD1-CE 3.97Å; L112-M151 HydrophobicContact CD1-SD 3.72Å; L112-M151 HydrophobicContact CD2-CE 4.28Å; L112-M151 HydrophobicContact CG-CE 4.36Å; L112-M151 HydrophobicContact CG-SD 4.3Å
113	I	94.9	Very high	93	Very high	57 Å²	57	52.6 Å²	52.6	29%	0.292	27%	0.27	S	S	.	.	H	α-helix	trans	-58.2	-43.7	175.5	-69.2	165.7	0	0	0	110	Y62 F109 L110 F115 C116 L117	Y62-I113 HydrophobicContact CE1-CG2 4.07Å; F109-I113 HydrophobicContact CD1-CD1 3.74Å; F109-I113 HydrophobicContact CD1-CG1 4.48Å; F109-I113 HydrophobicContact CE1-CD1 3.38Å; F109-I113 HydrophobicContact CE1-CG1 4.16Å; F109-I113 HydrophobicContact CZ-CD1 3.95Å; F109-I113 HydrophobicContact CZ-CG1 4.3Å; F109-I113 WeakPolarHBondContact O-CG1 3.42Å; F109-I113 PolarHBondContact O-N 3.44Å; L110-I113 HydrophobicContact CD2-CD1 4.44Å; L110-I113 PolarHBondContact O-N 3.45Å; I113-F115 PolarHBondContact O-N 3.12Å; I113-C116 PolarHBondContact O-N 2.85Å; I113-L117 HydrophobicContact CG2-CD1 3.71Å; I113-L117 HydrophobicContact CG2-CG 4.13Å; I113-L117 WeakPolarHBondContact O-CB 3.39Å; I113-L117 VanDerWaalsContact O-CG 3.26Å; I113-L117 WeakPolarHBondContact O-CG 3.37Å; I113-L117 PolarHBondContact O-N 3.39Å
114	A	92.9	Very high	92.7	Very high	0 Å²	0	56 Å²	56	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-59.4	-49	177.3	0	0	0	0	0	111.8	Y62 L66 L110 W111 L112 C116 L117 L118	Y62-A114 HydrophobicContact CD1-CB 4.05Å; Y62-A114 HydrophobicContact CE1-CB 3.67Å; L66-A114 HydrophobicContact CD1-CB 3.6Å; L110-A114 PolarHBondContact O-N 3.02Å; W111-A114 WeakPolarHBondContact O-CB 3.29Å; W111-A114 PolarHBondContact O-N 3.35Å; L112-A114 VanDerWaalsContact C-N 3.27Å; L112-A114 PolarHBondContact O-N 3.27Å; A114-C116 PolarHBondContact O-N 2.88Å; A114-L117 PolarHBondContact O-N 3.3Å; A114-L118 WeakPolarHBondContact O-CB 3.5Å; A114-L118 WeakPolarHBondContact O-CD1 3.46Å; A114-L118 PolarHBondContact O-N 2.89Å
115	F	93.7	Very high	92.2	Very high	54 Å²	54	56.2 Å²	56.2	24%	0.237	29%	0.29	C	S	.	.	H	α-helix	trans	-56.1	-49.1	175.4	167.6	-100.4	0	0	0	111.9	W111 L112 I113 L117 L118 C119 I144 N147 F148	W111-F115 PolarHBondContact O-N 3.31Å; L112-F115 HydrophobicContact CD1-CD1 4.39Å; L112-F115 PolarHBondContact O-N 2.96Å; I113-F115 PolarHBondContact O-N 3.12Å; F115-L117 PolarHBondContact O-N 3.07Å; F115-L118 PolarHBondContact O-N 3.47Å; F115-C119 WeakPolarHBondContact CE2-SG 3.35Å; F115-C119 VanDerWaalsContact CZ-SG 3.57Å; F115-C119 WeakPolarHBondContact O-CB 3.45Å; F115-C119 PolarHBondContact O-N 3.26Å; F115-C119 PolarHBondContact O-SG 3.49Å; F115-C119 VanDerWaalsContact O-SG 3.33Å; F115-I144 HydrophobicContact CD2-CG2 3.81Å; F115-I144 HydrophobicContact CE2-CG2 3.64Å; F115-N147 HydrophobicContact CB-CB 4.36Å; F115-F148 HydrophobicContact CD2-CB 3.9Å; F115-F148 HydrophobicContact CE2-CB 4.1Å; F115-F148 HydrophobicContact CE2-CD2 4.46Å
116	C	93.6	Very high	91.5	Very high	65 Å²	65	62.4 Å²	62.4	44%	0.439	30%	0.302	S	S	.	.	H	α-helix	trans	-61.1	-43.8	179.3	-70	0	0	0	0	112.2	L112 I113 A114 N120	L112-C116 PolarHBondContact O-N 3.4Å; L112-C116 PolarHBondContact O-SG 3Å; I113-C116 PolarHBondContact O-N 2.85Å; A114-C116 PolarHBondContact O-N 2.88Å; C116-N120 WeakPolarHBondContact O-CB 3.39Å; C116-N120 PolarHBondContact O-N 3.23Å
117	L	92.5	Very high	90.6	Very high	68 Å²	68	65.6 Å²	65.6	36%	0.356	32%	0.315	S	S	.	.	H	α-helix	trans	-63.9	-49.1	177.5	-71.8	174	0	0	0	111.3	Y62 I113 A114 F115 C119 N120 R121	Y62-L117 HydrophobicContact CD1-CD1 3.95Å; Y62-L117 HydrophobicContact CE1-CD1 3.96Å; I113-L117 HydrophobicContact CG2-CD1 3.71Å; I113-L117 HydrophobicContact CG2-CG 4.13Å; I113-L117 WeakPolarHBondContact O-CB 3.39Å; I113-L117 VanDerWaalsContact O-CG 3.26Å; I113-L117 WeakPolarHBondContact O-CG 3.37Å; I113-L117 PolarHBondContact O-N 3.39Å; A114-L117 PolarHBondContact O-N 3.3Å; F115-L117 PolarHBondContact O-N 3.07Å; L117-C119 PolarHBondContact O-N 2.95Å; L117-N120 PolarHBondContact O-N 2.96Å; L117-R121 WeakPolarHBondContact O-CB 3.37Å; L117-R121 VanDerWaalsContact O-CG 3.29Å; L117-R121 WeakPolarHBondContact O-CG 3.5Å; L117-R121 PolarHBondContact O-N 3.03Å
118	L	90.9	Very high	89.8	Confident	0 Å²	0	70 Å²	70	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-62.5	-42.7	-179.9	-89.7	69.2	0	0	0	111.2	F53 A114 F115 W122 I144	F53-L118 HydrophobicContact CD1-CB 4.39Å; F53-L118 HydrophobicContact CD1-CG 4.33Å; F53-L118 WeakPolarHBondContact CD1-O 3.37Å; F53-L118 HydrophobicContact CE1-CB 3.91Å; F53-L118 HydrophobicContact CE1-CD2 4.25Å; F53-L118 HydrophobicContact CE1-CG 3.9Å; F53-L118 HydrophobicContact CE2-CD2 4.06Å; F53-L118 HydrophobicContact CE2-CG 4.1Å; F53-L118 HydrophobicContact CZ-CB 4.22Å; F53-L118 HydrophobicContact CZ-CD2 3.69Å; F53-L118 HydrophobicContact CZ-CG 3.78Å; A114-L118 WeakPolarHBondContact O-CB 3.5Å; A114-L118 WeakPolarHBondContact O-CD1 3.46Å; A114-L118 PolarHBondContact O-N 2.89Å; F115-L118 PolarHBondContact O-N 3.47Å; L118-W122 WeakPolarHBondContact O-CB 3.29Å; L118-W122 PolarHBondContact O-N 3.33Å; L118-I144 HydrophobicContact CB-CG1 3.78Å; L118-I144 HydrophobicContact CD2-CG1 4.31Å
119	C	92.6	Very high	89	Confident	34 Å²	34	71.9 Å²	71.9	23%	0.23	35%	0.347	C	S	.	.	H	α-helix	trans	-60	-48.8	175.3	-77.4	0	0	0	0	112.3	F115 L117 W122 Q123 I144	F115-C119 WeakPolarHBondContact CE2-SG 3.35Å; F115-C119 VanDerWaalsContact CZ-SG 3.57Å; F115-C119 WeakPolarHBondContact O-CB 3.45Å; F115-C119 PolarHBondContact O-N 3.26Å; F115-C119 PolarHBondContact O-SG 3.49Å; F115-C119 VanDerWaalsContact O-SG 3.33Å; L117-C119 PolarHBondContact O-N 2.95Å; C119-W122 PolarHBondContact O-N 2.79Å; C119-Q123 WeakPolarHBondContact O-CG 3.46Å; C119-Q123 PolarHBondContact O-N 3.17Å; C119-I144 WeakPolarHBondContact SG-CG2 3.3Å
120	N	92.6	Very high	88.3	Confident	99 Å²	99	67.5 Å²	67.5	53%	0.529	33%	0.329	S	S	.	.	H	α-helix	trans	-60.5	-48.6	179.8	-177.6	-36	0	0	0	110.9	C116 L117 W122 Q123 N124	C116-N120 WeakPolarHBondContact O-CB 3.39Å; C116-N120 PolarHBondContact O-N 3.23Å; L117-N120 PolarHBondContact O-N 2.96Å; N120-W122 VanDerWaalsContact C-N 3.35Å; N120-W122 PolarHBondContact O-N 2.77Å; N120-Q123 PolarHBondContact O-N 3.33Å; N120-N124 PolarHBondContact O-N 3.36Å; N120-N124 VanDerWaalsContact O-N 3.13Å
121	R	91	Very high	87.5	Confident	82 Å²	82	70.7 Å²	70.7	31%	0.309	35%	0.351	S	S	.	.	H	α-helix	trans	-67	-35.8	179.4	-64.4	-58.3	-162.3	-159.7	4.7	112.9	F53 N54 D56 S59 L117 N124 T125	F53-R121 HydrophobicContact CB-CB 3.78Å; F53-R121 HydrophobicContact CD1-CB 4.28Å; F53-R121 HydrophobicContact CG-CB 4.49Å; N54-R121 HydrophobicContact CB-CB 4.47Å; D56-R121 IonicContact OD2-CZ 2.81Å; D56-R121 VanDerWaalsContact OD2-CZ 3.28Å; D56-R121 IonicContact OD2-NE 3Å; D56-R121 PolarHBondContact OD2-NE 2.76Å; D56-R121 IonicContact OD2-NH2 2.68Å; D56-R121 PolarHBondContact OD2-NH2 2.85Å; S59-R121 WeakPolarHBondContact OG-CG 3.37Å; L117-R121 WeakPolarHBondContact O-CB 3.37Å; L117-R121 VanDerWaalsContact O-CG 3.29Å; L117-R121 WeakPolarHBondContact O-CG 3.5Å; L117-R121 PolarHBondContact O-N 3.03Å; R121-N124 CarbonylContact O-C 3.58Å; R121-N124 PolarHBondContact O-N 3.1Å; R121-T125 PolarHBondContact O-N 3.26Å; R121-T125 VanDerWaalsContact O-N 3.14Å; R121-T125 PolarHBondContact O-OG1 3.5Å
122	W	88.9	Confident	86.7	Confident	42 Å²	42	78.2 Å²	78.2	16%	0.159	39%	0.386	C	S	.	.	H	α-helix	trans	-63.6	-43.4	175.4	-179.9	-115.3	0	0	0	111.7	L52 F53 L118 C119 N120 N124 T125 L130 P137 P140 R141 I144	L52-W122 HydrophobicContact CG-CZ3 4.4Å; F53-W122 HydrophobicContact CD1-CB 4.04Å; F53-W122 HydrophobicContact CE1-CB 4Å; F53-W122 HydrophobicContact CE1-CE3 4.45Å; L118-W122 WeakPolarHBondContact O-CB 3.29Å; L118-W122 PolarHBondContact O-N 3.33Å; C119-W122 PolarHBondContact O-N 2.79Å; N120-W122 VanDerWaalsContact C-N 3.35Å; N120-W122 PolarHBondContact O-N 2.77Å; W122-N124 VanDerWaalsContact C-N 3.28Å; W122-N124 PolarHBondContact O-N 2.85Å; W122-T125 WeakPolarHBondContact O-CB 3.43Å; W122-T125 PolarHBondContact O-N 3.49Å; W122-T125 PolarHBondContact O-OG1 3.33Å; W122-L130 HydrophobicContact CH2-CD1 4.15Å; W122-L130 HydrophobicContact CZ3-CD1 4.43Å; W122-L130 HydrophobicContact CZ3-CD2 4.44Å; W122-P137 HydrophobicContact CH2-CB 3.85Å; W122-P137 HydrophobicContact CZ2-CB 3.75Å; W122-P140 HydrophobicContact CD2-CB 3.99Å; W122-P140 HydrophobicContact CE3-CB 3.42Å; W122-P140 VanDerWaalsContact CE3-CB 3.42Å; W122-P140 HydrophobicContact CE3-CG 3.99Å; W122-P140 HydrophobicContact CH2-CB 3.82Å; W122-P140 HydrophobicContact CH2-CG 3.89Å; W122-P140 HydrophobicContact CZ2-CB 4.33Å; W122-P140 HydrophobicContact CZ3-CB 3.35Å; W122-P140 HydrophobicContact CZ3-CG 3.43Å; W122-P140 VanDerWaalsContact CZ3-CG 3.43Å; W122-R141 HydrophobicContact CZ2-CG 3.96Å; W122-I144 HydrophobicContact CB-CD1 3.73Å; W122-I144 HydrophobicContact CG-CD1 3.76Å
123	Q	89.3	Confident	85.8	Confident	168 Å²	168	77.9 Å²	77.9	79%	0.785	38%	0.384	S	S	*	.	H	α-helix	trans	-65	-31.5	176.3	-73	-177.3	-39.6	0	0	113.1	C119 N120 T125	C119-Q123 WeakPolarHBondContact O-CG 3.46Å; C119-Q123 PolarHBondContact O-N 3.17Å; N120-Q123 PolarHBondContact O-N 3.33Å; Q123-T125 VanDerWaalsContact C-N 3.34Å
124	N	86.5	Confident	85	Confident	98 Å²	98	83.9 Å²	83.9	52%	0.524	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	6.1	177.8	-160.2	55.3	0	0	0	113.8	N54 N120 R121 W122	N54-N124 PolarHBondContact OD1-O 3.36Å; N120-N124 PolarHBondContact O-N 3.36Å; N120-N124 VanDerWaalsContact O-N 3.13Å; R121-N124 CarbonylContact O-C 3.58Å; R121-N124 PolarHBondContact O-N 3.1Å; W122-N124 VanDerWaalsContact C-N 3.28Å; W122-N124 PolarHBondContact O-N 2.85Å
125	T	83.7	Confident	84.2	Confident	14 Å²	14	85.1 Å²	85.1	9%	0.086	42%	0.419	C	S	.	.	S	Bend	trans	-74.9	129.2	179.4	-63.4	0	0	0	0	110.1	L52 N54 R121 W122 Q123 Q127 L130	L52-T125 WeakPolarHBondContact O-CG2 3.3Å; L52-T125 PolarHBondContact O-OG1 3.37Å; N54-T125 PolarHBondContact N-OG1 2.97Å; R121-T125 PolarHBondContact O-N 3.26Å; R121-T125 VanDerWaalsContact O-N 3.14Å; R121-T125 PolarHBondContact O-OG1 3.5Å; W122-T125 WeakPolarHBondContact O-CB 3.43Å; W122-T125 PolarHBondContact O-N 3.49Å; W122-T125 PolarHBondContact O-OG1 3.33Å; Q123-T125 VanDerWaalsContact C-N 3.34Å; T125-Q127 PolarHBondContact O-N 3.49Å; T125-L130 HydrophobicContact CG2-CD1 4.15Å; T125-L130 HydrophobicContact CG2-CD2 4.01Å; T125-L130 HydrophobicContact CG2-CG 4.08Å
126	R	78.5	Confident	83.6	Confident	166 Å²	166	85.3 Å²	85.3	63%	0.626	43%	0.427	S	S	*	.			trans	-61.9	117.9	-179	-69.8	-174.7	-71.9	-160.5	-3.2	110.9	D128 F129 L130	R126-D128 PolarHBondContact O-N 3.08Å; R126-F129 HydrophobicContact CB-CB 4.3Å; R126-F129 PolarHBondContact O-N 3.28Å; R126-F129 VanDerWaalsContact O-N 3.17Å; R126-L130 PolarHBondContact O-N 2.83Å
127	Q	76.7	Confident	83	Confident	153 Å²	153	84.1 Å²	84.1	72%	0.715	42%	0.418	S	S	*	.	H	α-helix	trans	-61.3	-31.4	178.4	-67.2	-176.4	-10.8	0	0	112.5	T125 F129 L130 T131	T125-Q127 PolarHBondContact O-N 3.49Å; Q127-F129 VanDerWaalsContact C-N 3.33Å; Q127-F129 PolarHBondContact O-N 3.22Å; Q127-L130 PolarHBondContact O-N 3.31Å; Q127-T131 PolarHBondContact O-N 2.96Å; Q127-T131 PolarHBondContact O-OG1 2.94Å
128	D	75.4	Confident	82.7	Confident	128 Å²	128	85.6 Å²	85.6	68%	0.684	43%	0.426	S	S	*	.	H	α-helix	trans	-60.9	-42.4	176.7	-54.2	-28.2	0	0	0	111.4	R126 L130 T131 E132	R126-D128 PolarHBondContact O-N 3.08Å; D128-L130 VanDerWaalsContact C-N 3.33Å; D128-L130 PolarHBondContact O-N 3.2Å; D128-T131 PolarHBondContact O-N 3.17Å; D128-E132 VanDerWaalsContact O-CB 3.28Å; D128-E132 WeakPolarHBondContact O-CB 3.38Å; D128-E132 PolarHBondContact O-N 3.36Å
129	F	77.7	Confident	82.5	Confident	58 Å²	58	86.4 Å²	86.4	25%	0.254	44%	0.435	S	S	.	.	H	α-helix	trans	-66.7	-34.4	177.7	-178.9	-92.9	0	0	0	112.3	L52 R126 Q127 N133	L52-F129 HydrophobicContact CD1-CD1 4.38Å; L52-F129 HydrophobicContact CD1-CE1 4.08Å; R126-F129 HydrophobicContact CB-CB 4.3Å; R126-F129 PolarHBondContact O-N 3.28Å; R126-F129 VanDerWaalsContact O-N 3.17Å; Q127-F129 VanDerWaalsContact C-N 3.33Å; Q127-F129 PolarHBondContact O-N 3.22Å; F129-N133 VanDerWaalsContact CD2-ND2 3.32Å; F129-N133 WeakPolarHBondContact CD2-ND2 3.46Å; F129-N133 WeakPolarHBondContact CE2-ND2 3.29Å; F129-N133 WeakPolarHBondContact CZ-ND2 3.47Å; F129-N133 WeakPolarHBondContact O-CB 3.19Å; F129-N133 PolarHBondContact O-N 2.96Å; F129-N133 PolarHBondContact O-ND2 3.32Å
130	L	79.3	Confident	82.3	Confident	31 Å²	31	84.8 Å²	84.8	16%	0.162	42%	0.424	C	S	.	.	H	α-helix	trans	-70	-40.7	177.1	-62.4	177.9	0	0	0	111.4	L52 W122 T125 R126 Q127 D128 E134 V135	L52-L130 HydrophobicContact CD1-CD2 3.51Å; L52-L130 HydrophobicContact CG-CD2 4.28Å; W122-L130 HydrophobicContact CH2-CD1 4.15Å; W122-L130 HydrophobicContact CZ3-CD1 4.43Å; W122-L130 HydrophobicContact CZ3-CD2 4.44Å; T125-L130 HydrophobicContact CG2-CD1 4.15Å; T125-L130 HydrophobicContact CG2-CD2 4.01Å; T125-L130 HydrophobicContact CG2-CG 4.08Å; R126-L130 PolarHBondContact O-N 2.83Å; Q127-L130 PolarHBondContact O-N 3.31Å; D128-L130 VanDerWaalsContact C-N 3.33Å; D128-L130 PolarHBondContact O-N 3.2Å; L130-E134 PolarHBondContact O-N 3.44Å; L130-V135 HydrophobicContact CD2-CB 4.34Å; L130-V135 PolarHBondContact O-N 3.06Å; L130-V135 VanDerWaalsContact O-N 3.1Å
131	T	78.3	Confident	82.1	Confident	111 Å²	111	86.7 Å²	86.7	68%	0.681	42%	0.424	S	S	*	.	H	α-helix	trans	-73.6	-41.7	-178	-49.5	0	0	0	0	111.3	Q127 D128 N133 E134	Q127-T131 PolarHBondContact O-N 2.96Å; Q127-T131 PolarHBondContact O-OG1 2.94Å; D128-T131 PolarHBondContact O-N 3.17Å; T131-N133 VanDerWaalsContact C-N 3.34Å; T131-N133 PolarHBondContact O-N 3.28Å; T131-E134 PolarHBondContact O-N 3.19Å
132	E	77.5	Confident	82.2	Confident	158 Å²	158	85.5 Å²	85.5	74%	0.738	43%	0.426	S	S	*	.	H	α-helix	trans	-65.5	-35.2	179.6	-175.5	177.6	-175.2	0	0	112.8	D128	D128-E132 VanDerWaalsContact O-CB 3.28Å; D128-E132 WeakPolarHBondContact O-CB 3.38Å; D128-E132 PolarHBondContact O-N 3.36Å
133	N	76.3	Confident	82.3	Confident	49 Å²	49	83.5 Å²	83.5	26%	0.262	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	11.4	-177.8	-63.7	-63.4	0	0	0	113.6	F129 T131 V135	F129-N133 VanDerWaalsContact CD2-ND2 3.32Å; F129-N133 WeakPolarHBondContact CD2-ND2 3.46Å; F129-N133 WeakPolarHBondContact CE2-ND2 3.29Å; F129-N133 WeakPolarHBondContact CZ-ND2 3.47Å; F129-N133 WeakPolarHBondContact O-CB 3.19Å; F129-N133 PolarHBondContact O-N 2.96Å; F129-N133 PolarHBondContact O-ND2 3.32Å; T131-N133 VanDerWaalsContact C-N 3.34Å; T131-N133 PolarHBondContact O-N 3.28Å; N133-V135 HydrophobicContact CB-CG2 3.47Å; N133-V135 VanDerWaalsContact CB-CG2 3.47Å; N133-V135 WeakPolarHBondContact O-CG2 3.2Å; N133-V135 PolarHBondContact O-N 2.87Å
134	E	76.6	Confident	82.4	Confident	184 Å²	184	76.3 Å²	76.3	86%	0.86	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.7	37.2	-178.8	-60.8	-171.6	128.8	0	0	113.6	L130 T131 S136	L130-E134 PolarHBondContact O-N 3.44Å; T131-E134 PolarHBondContact O-N 3.19Å; E134-S136 PolarHBondContact O-N 3.34Å
135	V	77.6	Confident	82.8	Confident	25 Å²	25	73.5 Å²	73.5	15%	0.152	38%	0.376	C	S	.	.			trans	-81.1	119.2	-170.8	-172.4	0	0	0	0	109.7	I47 L52 L130 N133 P137	I47-V135 HydrophobicContact CD1-CB 3.92Å; I47-V135 HydrophobicContact CD1-CG1 3.46Å; I47-V135 VanDerWaalsContact CD1-CG1 3.46Å; I47-V135 HydrophobicContact CD1-CG2 3.16Å; L52-V135 HydrophobicContact CD1-CG1 4.12Å; L52-V135 HydrophobicContact CD2-CG1 3.5Å; L52-V135 VanDerWaalsContact CD2-CG1 3.5Å; L52-V135 HydrophobicContact CG-CG1 4.48Å; L130-V135 HydrophobicContact CD2-CB 4.34Å; L130-V135 PolarHBondContact O-N 3.06Å; L130-V135 VanDerWaalsContact O-N 3.1Å; N133-V135 HydrophobicContact CB-CG2 3.47Å; N133-V135 VanDerWaalsContact CB-CG2 3.47Å; N133-V135 WeakPolarHBondContact O-CG2 3.2Å; N133-V135 PolarHBondContact O-N 2.87Å; V135-P137 WeakPolarHBondContact O-CD 3.46Å
136	S	79.6	Confident	83.1	Confident	59 Å²	59	75.4 Å²	75.4	41%	0.413	38%	0.383	S	S	.	.			trans	-63.3	126.8	172.2	179.4	0	0	0	0	110.1	E134 D138	E134-S136 PolarHBondContact O-N 3.34Å; S136-D138 PolarHBondContact O-N 3.14Å; S136-D138 VanDerWaalsContact O-N 3.13Å; S136-D138 WeakPolarHBondContact OG-CB 3.46Å; S136-D138 PolarHBondContact OG-N 2.77Å; S136-D138 PolarHBondContact OG-OD2 2.72Å
137	P	82.6	Confident	83.8	Confident	40 Å²	40	67.5 Å²	67.5	26%	0.26	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-6.7	175.8	31.8	-36.8	0	0	0	112.6	W122 V135 G139 R141	W122-P137 HydrophobicContact CH2-CB 3.85Å; W122-P137 HydrophobicContact CZ2-CB 3.75Å; V135-P137 WeakPolarHBondContact O-CD 3.46Å; P137-G139 VanDerWaalsContact C-N 3.34Å; P137-G139 PolarHBondContact O-N 3.45Å; P137-R141 WeakPolarHBondContact O-CB 3.47Å; P137-R141 WeakPolarHBondContact O-CD 3.23Å; P137-R141 WeakPolarHBondContact O-CG 3.48Å; P137-R141 PolarHBondContact O-N 3.19Å
138	D	85.1	Confident	84.6	Confident	98 Å²	98	64.4 Å²	64.4	52%	0.524	34%	0.337	S	S	.	.	H	α-helix	trans	-63.4	-39	-175.6	-60.5	-27	0	0	0	111.7	S136 T142	S136-D138 PolarHBondContact O-N 3.14Å; S136-D138 VanDerWaalsContact O-N 3.13Å; S136-D138 WeakPolarHBondContact OG-CB 3.46Å; S136-D138 PolarHBondContact OG-N 2.77Å; S136-D138 PolarHBondContact OG-OD2 2.72Å; D138-T142 WeakPolarHBondContact O-CB 3.18Å; D138-T142 PolarHBondContact O-N 3.27Å; D138-T142 PolarHBondContact O-OG1 3.29Å
139	G	86.4	Confident	85.4	Confident	18 Å²	18	63.9 Å²	63.9	19%	0.186	33%	0.329	C	S	.	.	H	α-helix	trans	-57.7	-63.1	179.8	0	0	0	0	0	112.6	P137 R141 T142 A143	P137-G139 VanDerWaalsContact C-N 3.34Å; P137-G139 PolarHBondContact O-N 3.45Å; G139-R141 PolarHBondContact O-N 3.33Å; G139-T142 PolarHBondContact O-N 2.91Å; G139-A143 PolarHBondContact O-N 3.46Å
140	P	88	Confident	86.1	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-59	-41.4	178.9	-29.9	38.3	0	0	0	114.2	L52 F53 W122 T142 A143 I144	L52-P140 HydrophobicContact CB-CG 4.38Å; L52-P140 HydrophobicContact CD2-CG 3.24Å; L52-P140 HydrophobicContact CG-CG 3.83Å; F53-P140 HydrophobicContact CE1-CB 4.06Å; F53-P140 HydrophobicContact CZ-CB 3.83Å; W122-P140 HydrophobicContact CD2-CB 3.99Å; W122-P140 HydrophobicContact CE3-CB 3.42Å; W122-P140 VanDerWaalsContact CE3-CB 3.42Å; W122-P140 HydrophobicContact CE3-CG 3.99Å; W122-P140 HydrophobicContact CH2-CB 3.82Å; W122-P140 HydrophobicContact CH2-CG 3.89Å; W122-P140 HydrophobicContact CZ2-CB 4.33Å; W122-P140 HydrophobicContact CZ3-CB 3.35Å; W122-P140 HydrophobicContact CZ3-CG 3.43Å; W122-P140 VanDerWaalsContact CZ3-CG 3.43Å; P140-T142 VanDerWaalsContact C-N 3.31Å; P140-T142 PolarHBondContact O-N 3.16Å; P140-A143 PolarHBondContact O-N 3.39Å; P140-I144 WeakPolarHBondContact O-CD1 3.1Å; P140-I144 VanDerWaalsContact O-CG1 3.31Å; P140-I144 WeakPolarHBondContact O-CG1 3.41Å; P140-I144 PolarHBondContact O-N 3.44Å
141	R	90	Very high	86.8	Confident	138 Å²	138	61.2 Å²	61.2	52%	0.521	32%	0.317	S	S	.	.	H	α-helix	trans	-63.5	-40.9	178	-70.9	174.8	-178.2	-177.6	3.6	111.2	W122 P137 G139 I144 A145	W122-R141 HydrophobicContact CZ2-CG 3.96Å; P137-R141 WeakPolarHBondContact O-CB 3.47Å; P137-R141 WeakPolarHBondContact O-CD 3.23Å; P137-R141 WeakPolarHBondContact O-CG 3.48Å; P137-R141 PolarHBondContact O-N 3.19Å; G139-R141 PolarHBondContact O-N 3.33Å; R141-I144 PolarHBondContact O-N 3.47Å; R141-A145 PolarHBondContact O-N 2.68Å
142	T	91.9	Very high	87.6	Confident	57 Å²	57	58.4 Å²	58.4	35%	0.35	30%	0.3	S	S	.	.	H	α-helix	trans	-67.2	-42.2	176.7	-58.9	0	0	0	0	110.9	I40 D138 G139 P140 I144 A145 F146	I40-T142 HydrophobicContact CD1-CG2 3.87Å; D138-T142 WeakPolarHBondContact O-CB 3.18Å; D138-T142 PolarHBondContact O-N 3.27Å; D138-T142 PolarHBondContact O-OG1 3.29Å; G139-T142 PolarHBondContact O-N 2.91Å; P140-T142 VanDerWaalsContact C-N 3.31Å; P140-T142 PolarHBondContact O-N 3.16Å; T142-I144 PolarHBondContact O-N 3.29Å; T142-A145 PolarHBondContact O-N 3.32Å; T142-F146 HydrophobicContact CG2-CD2 3.61Å; T142-F146 HydrophobicContact CG2-CE2 3.27Å; T142-F146 HydrophobicContact CG2-CZ 4.36Å; T142-F146 WeakPolarHBondContact O-CD2 3.16Å; T142-F146 PolarHBondContact O-N 2.83Å
143	A	91.1	Very high	88.3	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-58.9	-46.2	174.4	0	0	0	0	0	112	I40 G139 P140 A145 F146 N147	I40-A143 HydrophobicContact CG2-CB 3.86Å; G139-A143 PolarHBondContact O-N 3.46Å; P140-A143 PolarHBondContact O-N 3.39Å; A143-A145 VanDerWaalsContact C-N 3.33Å; A143-A145 PolarHBondContact O-N 3.24Å; A143-F146 PolarHBondContact O-N 3.38Å; A143-N147 PolarHBondContact O-N 2.93Å; A143-N147 VanDerWaalsContact O-N 3.11Å; A143-N147 PolarHBondContact O-ND2 3.32Å
144	I	92.5	Very high	89.1	Confident	18 Å²	18	50 Å²	50	9%	0.092	26%	0.261	C	S	.	.	H	α-helix	trans	-56.2	-48.2	175.1	-72.7	160.8	0	0	0	110.8	F53 F115 L118 C119 W122 P140 R141 T142 F146 N147 F148	F53-I144 HydrophobicContact CE1-CD1 4.01Å; F53-I144 HydrophobicContact CE1-CG1 4.14Å; F53-I144 HydrophobicContact CZ-CG1 4.37Å; F115-I144 HydrophobicContact CD2-CG2 3.81Å; F115-I144 HydrophobicContact CE2-CG2 3.64Å; L118-I144 HydrophobicContact CB-CG1 3.78Å; L118-I144 HydrophobicContact CD2-CG1 4.31Å; C119-I144 WeakPolarHBondContact SG-CG2 3.3Å; W122-I144 HydrophobicContact CB-CD1 3.73Å; W122-I144 HydrophobicContact CG-CD1 3.76Å; P140-I144 WeakPolarHBondContact O-CD1 3.1Å; P140-I144 VanDerWaalsContact O-CG1 3.31Å; P140-I144 WeakPolarHBondContact O-CG1 3.41Å; P140-I144 PolarHBondContact O-N 3.44Å; R141-I144 PolarHBondContact O-N 3.47Å; T142-I144 PolarHBondContact O-N 3.29Å; I144-F146 PolarHBondContact O-N 3.16Å; I144-N147 PolarHBondContact O-N 3.45Å; I144-F148 PolarHBondContact O-N 2.81Å
145	A	93.8	Very high	90	Very high	39 Å²	39	45.2 Å²	45.2	32%	0.322	24%	0.24	S	C	.	.	H	α-helix	trans	-61.6	-42.9	-179.6	0	0	0	0	0	112.1	R141 T142 A143 N147 F148 F149	R141-A145 PolarHBondContact O-N 2.68Å; T142-A145 PolarHBondContact O-N 3.32Å; A143-A145 VanDerWaalsContact C-N 3.33Å; A143-A145 PolarHBondContact O-N 3.24Å; A145-N147 VanDerWaalsContact C-N 3.31Å; A145-N147 PolarHBondContact O-N 3.06Å; A145-F148 WeakPolarHBondContact O-CB 3.06Å; A145-F148 PolarHBondContact O-N 3.14Å; A145-F149 HydrophobicContact CB-CD2 4.47Å; A145-F149 HydrophobicContact CB-CE2 4.28Å; A145-F149 WeakPolarHBondContact O-CD2 3.29Å; A145-F149 PolarHBondContact O-N 2.77Å
146	F	91.3	Very high	90.7	Very high	53 Å²	53	47.3 Å²	47.3	23%	0.232	25%	0.249	C	C	.	.	H	α-helix	trans	-64.1	-34.7	177.7	-80.3	-60.2	0	0	0	113.2	L33 V36 I40 T142 A143 I144 F148 F149 S150	L33-F146 HydrophobicContact CD2-CD1 3.83Å; L33-F146 HydrophobicContact CD2-CE1 3.98Å; V36-F146 HydrophobicContact CG1-CD2 4.17Å; V36-F146 HydrophobicContact CG1-CE1 4.19Å; V36-F146 HydrophobicContact CG1-CE2 3.73Å; V36-F146 HydrophobicContact CG1-CZ 3.76Å; I40-F146 HydrophobicContact CD1-CD2 3.3Å; I40-F146 HydrophobicContact CD1-CE2 3.29Å; I40-F146 HydrophobicContact CD1-CG 4.47Å; I40-F146 HydrophobicContact CD1-CZ 4.46Å; T142-F146 HydrophobicContact CG2-CD2 3.61Å; T142-F146 HydrophobicContact CG2-CE2 3.27Å; T142-F146 HydrophobicContact CG2-CZ 4.36Å; T142-F146 WeakPolarHBondContact O-CD2 3.16Å; T142-F146 PolarHBondContact O-N 2.83Å; A143-F146 PolarHBondContact O-N 3.38Å; I144-F146 PolarHBondContact O-N 3.16Å; F146-F148 VanDerWaalsContact C-N 3.34Å; F146-F149 PolarHBondContact O-N 3.41Å; F146-S150 VanDerWaalsContact O-CB 3.25Å; F146-S150 WeakPolarHBondContact O-CB 3.45Å; F146-S150 PolarHBondContact O-N 2.91Å
147	N	92.2	Very high	91.4	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-64.1	-41.2	174.3	-77.7	-96.8	0	0	0	111.7	N37 S63 W111 F115 A143 I144 A145 M151	N37-N147 PolarHBondContact ND2-ND2 3.25Å; N37-N147 PolarHBondContact OD1-ND2 2.94Å; S63-N147 PolarHBondContact OG-ND2 2.83Å; S63-N147 PolarHBondContact OG-OD1 2.95Å; W111-N147 HydrophobicContact CE3-CB 3.94Å; W111-N147 VanDerWaalsContact CE3-OD1 3.31Å; W111-N147 HydrophobicContact CZ3-CB 4.11Å; W111-N147 VanDerWaalsContact CZ3-OD1 3.28Å; W111-N147 WeakPolarHBondContact CZ3-OD1 3.39Å; F115-N147 HydrophobicContact CB-CB 4.36Å; A143-N147 PolarHBondContact O-N 2.93Å; A143-N147 VanDerWaalsContact O-N 3.11Å; A143-N147 PolarHBondContact O-ND2 3.32Å; I144-N147 PolarHBondContact O-N 3.45Å; A145-N147 VanDerWaalsContact C-N 3.31Å; A145-N147 PolarHBondContact O-N 3.06Å; N147-M151 PolarHBondContact O-N 3.29Å; N147-M151 VanDerWaalsContact O-N 3.07Å
148	F	93.5	Very high	91.8	Very high	88 Å²	88	43.1 Å²	43.1	39%	0.386	22%	0.222	S	C	.	.	H	α-helix	trans	-64.6	-47.8	175.5	178.1	-99.1	0	0	0	112.4	F115 I144 A145 F146 S150 M151 V152	F115-F148 HydrophobicContact CD2-CB 3.9Å; F115-F148 HydrophobicContact CE2-CB 4.1Å; F115-F148 HydrophobicContact CE2-CD2 4.46Å; I144-F148 PolarHBondContact O-N 2.81Å; A145-F148 WeakPolarHBondContact O-CB 3.06Å; A145-F148 PolarHBondContact O-N 3.14Å; F146-F148 VanDerWaalsContact C-N 3.34Å; F148-S150 VanDerWaalsContact C-N 3.33Å; F148-S150 PolarHBondContact O-N 2.76Å; F148-M151 WeakPolarHBondContact O-CB 3.28Å; F148-M151 PolarHBondContact O-N 3.36Å; F148-V152 HydrophobicContact CE1-CG2 4.07Å; F148-V152 HydrophobicContact CZ-CG2 4.07Å; F148-V152 PolarHBondContact O-N 2.87Å; F148-V152 VanDerWaalsContact O-N 3.11Å
149	F	92.9	Very high	92.2	Very high	118 Å²	118	44.1 Å²	44.1	52%	0.518	22%	0.222	S	C	.	.	H	α-helix	trans	-63.4	-40	178.5	-72.7	-61	0	0	0	112	A145 F146 M151 V152 V153	A145-F149 HydrophobicContact CB-CD2 4.47Å; A145-F149 HydrophobicContact CB-CE2 4.28Å; A145-F149 WeakPolarHBondContact O-CD2 3.29Å; A145-F149 PolarHBondContact O-N 2.77Å; F146-F149 PolarHBondContact O-N 3.41Å; F149-M151 VanDerWaalsContact C-N 3.35Å; F149-M151 PolarHBondContact O-N 2.77Å; F149-V152 PolarHBondContact O-N 3.34Å; F149-V153 VanDerWaalsContact O-CG2 3.32Å; F149-V153 WeakPolarHBondContact O-CG2 3.42Å; F149-V153 PolarHBondContact O-N 3.44Å
150	S	92.6	Very high	92.4	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-60.7	-42.6	175.7	-171.2	0	0	0	0	112.1	W111 F146 F148 V152 V153 L154	W111-S150 VanDerWaalsContact CE2-OG 3.23Å; W111-S150 VanDerWaalsContact CE3-CB 3.47Å; W111-S150 WeakPolarHBondContact CH2-OG 3.46Å; W111-S150 WeakPolarHBondContact CZ2-OG 3.39Å; W111-S150 VanDerWaalsContact CZ3-CB 3.46Å; F146-S150 VanDerWaalsContact O-CB 3.25Å; F146-S150 WeakPolarHBondContact O-CB 3.45Å; F146-S150 PolarHBondContact O-N 2.91Å; F148-S150 VanDerWaalsContact C-N 3.33Å; F148-S150 PolarHBondContact O-N 2.76Å; S150-V152 PolarHBondContact O-N 3.49Å; S150-V153 PolarHBondContact O-N 3.31Å; S150-L154 WeakPolarHBondContact O-CB 3.14Å; S150-L154 WeakPolarHBondContact O-CG 3.37Å; S150-L154 PolarHBondContact O-N 3.5Å
151	M	93.4	Very high	92.4	Very high	33 Å²	33	47.9 Å²	47.9	16%	0.163	23%	0.234	C	C	.	.	H	α-helix	trans	-55.2	-50.4	171.9	174.1	-160.4	167.5	0	0	111.5	W111 L112 N147 F148 F149 V153 L154 I155	W111-M151 HydrophobicContact CB-CB 4.01Å; L112-M151 HydrophobicContact CB-CE 4.17Å; L112-M151 HydrophobicContact CB-CG 4.47Å; L112-M151 HydrophobicContact CB-SD 3.83Å; L112-M151 HydrophobicContact CD1-CE 3.97Å; L112-M151 HydrophobicContact CD1-SD 3.72Å; L112-M151 HydrophobicContact CD2-CE 4.28Å; L112-M151 HydrophobicContact CG-CE 4.36Å; L112-M151 HydrophobicContact CG-SD 4.3Å; N147-M151 PolarHBondContact O-N 3.29Å; N147-M151 VanDerWaalsContact O-N 3.07Å; F148-M151 WeakPolarHBondContact O-CB 3.28Å; F148-M151 PolarHBondContact O-N 3.36Å; F149-M151 VanDerWaalsContact C-N 3.35Å; F149-M151 PolarHBondContact O-N 2.77Å; M151-V153 PolarHBondContact O-N 3.23Å; M151-L154 PolarHBondContact O-N 2.94Å; M151-I155 HydrophobicContact CE-CD1 3.62Å; M151-I155 HydrophobicContact CG-CD1 3.99Å; M151-I155 WeakPolarHBondContact O-CG1 3.43Å; M151-I155 PolarHBondContact O-N 3.48Å
152	V	94.3	Very high	92.4	Very high	52 Å²	52	45.7 Å²	45.7	32%	0.315	23%	0.228	S	C	.	.	H	α-helix	trans	-61.6	-44.8	-178.8	174	0	0	0	0	111.1	F148 F149 S150 L154 I155 I156	F148-V152 HydrophobicContact CE1-CG2 4.07Å; F148-V152 HydrophobicContact CZ-CG2 4.07Å; F148-V152 PolarHBondContact O-N 2.87Å; F148-V152 VanDerWaalsContact O-N 3.11Å; F149-V152 PolarHBondContact O-N 3.34Å; S150-V152 PolarHBondContact O-N 3.49Å; V152-L154 VanDerWaalsContact C-N 3.32Å; V152-L154 PolarHBondContact O-N 2.88Å; V152-I155 PolarHBondContact O-N 2.87Å; V152-I156 HydrophobicContact CG1-CD1 3.84Å; V152-I156 VanDerWaalsContact O-CG1 3.29Å; V152-I156 WeakPolarHBondContact O-CG1 3.27Å; V152-I156 PolarHBondContact O-N 2.87Å
153	V	93.6	Very high	92.3	Very high	25 Å²	25	48.9 Å²	48.9	15%	0.152	24%	0.237	C	C	.	.	H	α-helix	trans	-63.7	-38.8	178.7	179.5	0	0	0	0	111.2	L26 V29 V30 L33 F149 S150 M151 I156 L157	L26-V153 HydrophobicContact CD2-CG1 4.16Å; V29-V153 HydrophobicContact CG1-CG1 4.19Å; V29-V153 HydrophobicContact CG1-CG2 4.49Å; V30-V153 HydrophobicContact CG2-CB 4.14Å; V30-V153 HydrophobicContact CG2-CG1 3.44Å; V30-V153 VanDerWaalsContact CG2-CG1 3.44Å; L33-V153 HydrophobicContact CD1-CG2 4.02Å; F149-V153 VanDerWaalsContact O-CG2 3.32Å; F149-V153 WeakPolarHBondContact O-CG2 3.42Å; F149-V153 PolarHBondContact O-N 3.44Å; S150-V153 PolarHBondContact O-N 3.31Å; M151-V153 PolarHBondContact O-N 3.23Å; V153-I156 PolarHBondContact O-N 3.45Å; V153-L157 WeakPolarHBondContact O-CB 3.25Å; V153-L157 PolarHBondContact O-N 3.29Å
154	L	93	Very high	92	Very high	6 Å²	6	53.6 Å²	53.6	3%	0.031	26%	0.258	C	S	.	.	H	α-helix	trans	-65.2	-39	175.7	-76.6	167.3	0	0	0	113	V30 W107 W111 S150 M151 V152 L157 G158	V30-L154 HydrophobicContact CG1-CD2 3.98Å; V30-L154 HydrophobicContact CG1-CG 4.33Å; V30-L154 HydrophobicContact CG2-CD2 4.11Å; V30-L154 HydrophobicContact CG2-CG 4.26Å; W107-L154 HydrophobicContact CB-CD1 4.36Å; W111-L154 HydrophobicContact CG-CD1 3.87Å; S150-L154 WeakPolarHBondContact O-CB 3.14Å; S150-L154 WeakPolarHBondContact O-CG 3.37Å; S150-L154 PolarHBondContact O-N 3.5Å; M151-L154 PolarHBondContact O-N 2.94Å; V152-L154 VanDerWaalsContact C-N 3.32Å; V152-L154 PolarHBondContact O-N 2.88Å; L154-L157 HydrophobicContact CD2-CD2 4.37Å; L154-L157 PolarHBondContact O-N 3.47Å; L154-G158 PolarHBondContact O-N 3.25Å
155	I	93.9	Very high	91.6	Very high	82 Å²	82	54 Å²	54	42%	0.421	26%	0.259	S	S	.	.	H	α-helix	trans	-63.6	-45	174.9	-68.2	167.9	0	0	0	110.2	M151 V152 G158 F159	M151-I155 HydrophobicContact CE-CD1 3.62Å; M151-I155 HydrophobicContact CG-CD1 3.99Å; M151-I155 WeakPolarHBondContact O-CG1 3.43Å; M151-I155 PolarHBondContact O-N 3.48Å; V152-I155 PolarHBondContact O-N 2.87Å; I155-G158 PolarHBondContact O-N 3.07Å; I155-F159 WeakPolarHBondContact O-CB 3.38Å; I155-F159 PolarHBondContact O-N 3.37Å
156	I	93.8	Very high	91.3	Very high	69 Å²	69	55.9 Å²	55.9	35%	0.354	26%	0.26	S	S	.	.	H	α-helix	trans	-61.4	-46.6	177	-68.2	168.9	0	0	0	110.2	L26 V152 V153 F159 F160	L26-I156 HydrophobicContact CD1-CG2 4.12Å; L26-I156 HydrophobicContact CD2-CG2 4.21Å; V152-I156 HydrophobicContact CG1-CD1 3.84Å; V152-I156 VanDerWaalsContact O-CG1 3.29Å; V152-I156 WeakPolarHBondContact O-CG1 3.27Å; V152-I156 PolarHBondContact O-N 2.87Å; V153-I156 PolarHBondContact O-N 3.45Å; I156-F159 PolarHBondContact O-N 3.48Å; I156-F160 HydrophobicContact CG2-CD2 3.56Å; I156-F160 HydrophobicContact CG2-CE2 3.46Å; I156-F160 VanDerWaalsContact CG2-CE2 3.46Å; I156-F160 WeakPolarHBondContact O-CD2 3.47Å; I156-F160 PolarHBondContact O-N 3.39Å
157	L	93.3	Very high	91.1	Very high	2 Å²	2	56.1 Å²	56.1	1%	0.01	27%	0.268	C	S	.	.	H	α-helix	trans	-55.8	-52	174.9	175.6	67.7	0	0	0	111.4	Q23 L26 R27 V153 L154 F159 F160 T161	Q23-L157 HydrophobicContact CB-CD1 4.3Å; L26-L157 HydrophobicContact CB-CB 4.25Å; L26-L157 HydrophobicContact CB-CD1 3.67Å; L26-L157 HydrophobicContact CB-CG 4.49Å; L26-L157 HydrophobicContact CD1-CB 4.43Å; L26-L157 HydrophobicContact CD1-CD1 4.34Å; R27-L157 HydrophobicContact CG-CD1 4.12Å; R27-L157 HydrophobicContact CG-CD2 3.97Å; V153-L157 WeakPolarHBondContact O-CB 3.25Å; V153-L157 PolarHBondContact O-N 3.29Å; L154-L157 HydrophobicContact CD2-CD2 4.37Å; L154-L157 PolarHBondContact O-N 3.47Å; L157-F159 VanDerWaalsContact C-N 3.29Å; L157-F159 PolarHBondContact O-N 2.91Å; L157-F160 PolarHBondContact O-N 2.83Å; L157-T161 PolarHBondContact O-N 2.96Å; L157-T161 PolarHBondContact O-OG1 2.93Å
158	G	91.6	Very high	90.5	Very high	9 Å²	9	56.6 Å²	56.6	9%	0.093	27%	0.271	C	S	.	.	H	α-helix	trans	-59.6	-39	179.3	0	0	0	0	0	112.9	S104 L154 I155 F162	S104-G158 WeakPolarHBondContact OG-CA 3.38Å; L154-G158 PolarHBondContact O-N 3.25Å; I155-G158 PolarHBondContact O-N 3.07Å; G158-F162 VanDerWaalsContact O-CB 3.25Å; G158-F162 WeakPolarHBondContact O-CB 3.45Å; G158-F162 PolarHBondContact O-N 3.19Å
159	F	92.2	Very high	90.1	Very high	120 Å²	120	55.2 Å²	55.2	53%	0.526	27%	0.265	S	S	.	.	H	α-helix	trans	-64.3	-46	174.4	178.9	-101.2	0	0	0	112.4	I155 I156 L157 F162 K163	I155-F159 WeakPolarHBondContact O-CB 3.38Å; I155-F159 PolarHBondContact O-N 3.37Å; I156-F159 PolarHBondContact O-N 3.48Å; L157-F159 VanDerWaalsContact C-N 3.29Å; L157-F159 PolarHBondContact O-N 2.91Å; F159-F162 PolarHBondContact O-N 3.18Å; F159-K163 HydrophobicContact CD1-CD 4.29Å; F159-K163 HydrophobicContact CE1-CD 3.56Å; F159-K163 HydrophobicContact CE1-CG 4.19Å; F159-K163 HydrophobicContact CE2-CD 4.35Å; F159-K163 HydrophobicContact CE2-CG 4.43Å; F159-K163 HydrophobicContact CZ-CD 3.61Å; F159-K163 HydrophobicContact CZ-CG 4.15Å; F159-K163 WeakPolarHBondContact O-CG 3.23Å; F159-K163 PolarHBondContact O-N 3.33Å
160	F	91	Very high	89.6	Confident	95 Å²	95	54.2 Å²	54.2	42%	0.417	26%	0.264	S	S	.	.	H	α-helix	trans	-64.1	-44.8	176.9	-83.2	-70.9	0	0	0	112	L26 I156 L157 F162 K163 F164	L26-F160 HydrophobicContact CD1-CB 4.4Å; L26-F160 HydrophobicContact CD1-CD2 3.6Å; L26-F160 HydrophobicContact CD1-CE2 4.23Å; L26-F160 HydrophobicContact CD1-CG 4.27Å; I156-F160 HydrophobicContact CG2-CD2 3.56Å; I156-F160 HydrophobicContact CG2-CE2 3.46Å; I156-F160 VanDerWaalsContact CG2-CE2 3.46Å; I156-F160 WeakPolarHBondContact O-CD2 3.47Å; I156-F160 PolarHBondContact O-N 3.39Å; L157-F160 PolarHBondContact O-N 2.83Å; F160-F162 VanDerWaalsContact C-N 3.3Å; F160-F162 PolarHBondContact O-N 3.03Å; F160-K163 PolarHBondContact O-N 2.94Å; F160-F164 WeakPolarHBondContact O-CB 3.45Å; F160-F164 PolarHBondContact O-N 3.49Å
161	T	87.8	Confident	88.9	Confident	2 Å²	2	57.5 Å²	57.5	1%	0.012	28%	0.28	C	S	.	.	H	α-helix	trans	-59.4	-43.3	174.2	-59	0	0	0	0	110.5	D100 V101 L157 K163 F164 Y165	D100-T161 HydrophobicContact CB-CG2 4.18Å; D100-T161 WeakPolarHBondContact OD2-CG2 3.41Å; D100-T161 PolarHBondContact OD2-OG1 3.39Å; D100-T161 VanDerWaalsContact OD2-OG1 3.06Å; V101-T161 HydrophobicContact CG2-CG2 3.59Å; L157-T161 PolarHBondContact O-N 2.96Å; L157-T161 PolarHBondContact O-OG1 2.93Å; T161-K163 PolarHBondContact O-N 3.44Å; T161-F164 PolarHBondContact O-N 3.18Å; T161-Y165 VanDerWaalsContact O-CB 3.27Å; T161-Y165 WeakPolarHBondContact O-CB 3.43Å; T161-Y165 PolarHBondContact O-N 3.47Å
162	F	90.3	Very high	88	Confident	92 Å²	92	56.5 Å²	56.5	40%	0.404	28%	0.276	S	S	.	.	H	α-helix	trans	-63.3	-43.3	179	177.9	-103.8	0	0	0	112.3	V101 G158 F159 F160 F164 Y165 K166	V101-F162 HydrophobicContact CG1-CB 4.14Å; V101-F162 HydrophobicContact CG1-CD2 4.09Å; V101-F162 HydrophobicContact CG2-CB 4.03Å; G158-F162 VanDerWaalsContact O-CB 3.25Å; G158-F162 WeakPolarHBondContact O-CB 3.45Å; G158-F162 PolarHBondContact O-N 3.19Å; F159-F162 PolarHBondContact O-N 3.18Å; F160-F162 VanDerWaalsContact C-N 3.3Å; F160-F162 PolarHBondContact O-N 3.03Å; F162-F164 VanDerWaalsContact C-N 3.34Å; F162-F164 PolarHBondContact O-N 3.22Å; F162-Y165 PolarHBondContact O-N 3.07Å; F162-K166 HydrophobicContact CD1-CG 4.44Å; F162-K166 HydrophobicContact CD2-CG 4.36Å; F162-K166 HydrophobicContact CE1-CG 3.97Å; F162-K166 HydrophobicContact CE2-CD 4.48Å; F162-K166 HydrophobicContact CE2-CG 3.89Å; F162-K166 HydrophobicContact CZ-CD 4.29Å; F162-K166 HydrophobicContact CZ-CG 3.67Å; F162-K166 WeakPolarHBondContact O-CB 3.45Å; F162-K166 PolarHBondContact O-N 3.02Å
163	K	90	Very high	87.1	Confident	124 Å²	124	56.7 Å²	56.7	54%	0.539	28%	0.279	S	S	.	.	H	α-helix	trans	-62.2	-42.7	175.2	-72.9	-161.7	73.2	169.5	0	111.9	F159 F160 T161 K166 S167	F159-K163 HydrophobicContact CD1-CD 4.29Å; F159-K163 HydrophobicContact CE1-CD 3.56Å; F159-K163 HydrophobicContact CE1-CG 4.19Å; F159-K163 HydrophobicContact CE2-CD 4.35Å; F159-K163 HydrophobicContact CE2-CG 4.43Å; F159-K163 HydrophobicContact CZ-CD 3.61Å; F159-K163 HydrophobicContact CZ-CG 4.15Å; F159-K163 WeakPolarHBondContact O-CG 3.23Å; F159-K163 PolarHBondContact O-N 3.33Å; F160-K163 PolarHBondContact O-N 2.94Å; T161-K163 PolarHBondContact O-N 3.44Å; K163-K166 PolarHBondContact O-N 2.99Å; K163-S167 WeakPolarHBondContact O-CB 3.32Å; K163-S167 PolarHBondContact O-N 3.21Å
164	F	84.1	Confident	86.1	Confident	99 Å²	99	60.6 Å²	60.6	43%	0.434	30%	0.3	S	S	.	.	H	α-helix	trans	-64.3	-46.5	176.3	174.9	-101.4	0	0	0	111.9	F160 T161 F162 K166 S167 T168	F160-F164 WeakPolarHBondContact O-CB 3.45Å; F160-F164 PolarHBondContact O-N 3.49Å; T161-F164 PolarHBondContact O-N 3.18Å; F162-F164 VanDerWaalsContact C-N 3.34Å; F162-F164 PolarHBondContact O-N 3.22Å; F164-K166 PolarHBondContact O-N 3.35Å; F164-S167 PolarHBondContact O-N 3.3Å; F164-T168 WeakPolarHBondContact O-CB 3.39Å; F164-T168 PolarHBondContact O-N 3.5Å; F164-T168 PolarHBondContact O-OG1 3Å
165	Y	85.2	Confident	85	Confident	26 Å²	26	65.9 Å²	65.9	10%	0.102	33%	0.327	C	S	.	.	H	α-helix	trans	-55.3	-49.7	174.5	168.9	-97.7	0	0	0	111	L94 A97 K98 T161 F162 T168 E169	L94-Y165 HydrophobicContact CB-CE2 4.11Å; L94-Y165 HydrophobicContact CD2-CD2 3.98Å; L94-Y165 HydrophobicContact CD2-CE2 3.91Å; L94-Y165 VanDerWaalsContact O-CE2 3.31Å; L94-Y165 WeakPolarHBondContact O-CE2 3.22Å; A97-Y165 HydrophobicContact CB-CD2 3.82Å; K98-Y165 HydrophobicContact CB-CD2 4.4Å; K98-Y165 HydrophobicContact CB-CE2 3.85Å; T161-Y165 VanDerWaalsContact O-CB 3.27Å; T161-Y165 WeakPolarHBondContact O-CB 3.43Å; T161-Y165 PolarHBondContact O-N 3.47Å; F162-Y165 PolarHBondContact O-N 3.07Å; Y165-T168 PolarHBondContact O-N 3.4Å; Y165-E169 WeakPolarHBondContact CE1-OE2 3.39Å; Y165-E169 VanDerWaalsContact O-CB 3.29Å; Y165-E169 WeakPolarHBondContact O-CB 3.31Å; Y165-E169 PolarHBondContact O-N 2.98Å; Y165-E169 PolarHBondContact OH-OE1 3.38Å
166	K	88.3	Confident	83.5	Confident	79 Å²	79	65.1 Å²	65.1	34%	0.343	33%	0.333	S	S	.	.	H	α-helix	trans	-65	-42	179.8	-79.7	-68.5	175.6	-163.1	0	113.1	F162 K163 F164 T168 E169 I170	F162-K166 HydrophobicContact CD1-CG 4.44Å; F162-K166 HydrophobicContact CD2-CG 4.36Å; F162-K166 HydrophobicContact CE1-CG 3.97Å; F162-K166 HydrophobicContact CE2-CD 4.48Å; F162-K166 HydrophobicContact CE2-CG 3.89Å; F162-K166 HydrophobicContact CZ-CD 4.29Å; F162-K166 HydrophobicContact CZ-CG 3.67Å; F162-K166 WeakPolarHBondContact O-CB 3.45Å; F162-K166 PolarHBondContact O-N 3.02Å; K163-K166 PolarHBondContact O-N 2.99Å; F164-K166 PolarHBondContact O-N 3.35Å; K166-T168 VanDerWaalsContact C-N 3.32Å; K166-T168 PolarHBondContact O-N 3.2Å; K166-E169 WeakPolarHBondContact CD-OE2 3.36Å; K166-E169 IonicContact NZ-OE2 3.9Å; K166-E169 PolarHBondContact NZ-OE2 2.83Å; K166-I170 WeakPolarHBondContact O-CD1 3.17Å; K166-I170 WeakPolarHBondContact O-CG1 3.43Å; K166-I170 PolarHBondContact O-N 3.11Å; K166-I170 VanDerWaalsContact O-N 3.07Å
167	S	85.7	Confident	81.7	Confident	57 Å²	57	70 Å²	70	40%	0.399	35%	0.348	S	S	.	.	H	α-helix	trans	-60.3	-45.4	174.8	-170.3	0	0	0	0	111.1	K163 F164 I170 Q171	K163-S167 WeakPolarHBondContact O-CB 3.32Å; K163-S167 PolarHBondContact O-N 3.21Å; F164-S167 PolarHBondContact O-N 3.3Å; S167-I170 PolarHBondContact O-N 2.97Å; S167-Q171 WeakPolarHBondContact O-CB 3.39Å; S167-Q171 VanDerWaalsContact O-CG 3.23Å; S167-Q171 WeakPolarHBondContact O-CG 3.45Å; S167-Q171 PolarHBondContact O-N 2.95Å; S167-Q171 PolarHBondContact O-OE1 3.1Å; S167-Q171 PolarHBondContact OG-OE1 3.37Å
168	T	81	Confident	79.9	Confident	11 Å²	11	71.9 Å²	71.9	7%	0.067	37%	0.368	C	S	.	.	H	α-helix	trans	-66.7	-44.6	-179.3	-51.7	0	0	0	0	111.3	V7 L94 F164 Y165 K166 I170 Q171 C172	V7-T168 HydrophobicContact CG1-CG2 4.21Å; L94-T168 HydrophobicContact CD2-CG2 3.99Å; F164-T168 WeakPolarHBondContact O-CB 3.39Å; F164-T168 PolarHBondContact O-N 3.5Å; F164-T168 PolarHBondContact O-OG1 3Å; Y165-T168 PolarHBondContact O-N 3.4Å; K166-T168 VanDerWaalsContact C-N 3.32Å; K166-T168 PolarHBondContact O-N 3.2Å; T168-I170 PolarHBondContact O-N 3.28Å; T168-Q171 PolarHBondContact O-N 3.3Å; T168-C172 WeakPolarHBondContact O-CB 3.29Å; T168-C172 PolarHBondContact O-N 2.94Å; T168-C172 PolarHBondContact O-SG 3.44Å
169	E	83.5	Confident	78.1	Confident	59 Å²	59	78.6 Å²	78.6	28%	0.276	40%	0.397	S	S	.	.	H	α-helix	trans	-57	-47.4	176.7	-176.3	178.2	-138.8	0	0	111.3	L94 Y165 K166 S173	L94-E169 HydrophobicContact CD2-CB 4.13Å; Y165-E169 WeakPolarHBondContact CE1-OE2 3.39Å; Y165-E169 VanDerWaalsContact O-CB 3.29Å; Y165-E169 WeakPolarHBondContact O-CB 3.31Å; Y165-E169 PolarHBondContact O-N 2.98Å; Y165-E169 PolarHBondContact OH-OE1 3.38Å; K166-E169 WeakPolarHBondContact CD-OE2 3.36Å; K166-E169 IonicContact NZ-OE2 3.9Å; K166-E169 PolarHBondContact NZ-OE2 2.83Å; E169-S173 WeakPolarHBondContact O-CB 3.32Å; E169-S173 PolarHBondContact O-N 2.78Å
170	I	83.4	Confident	76	Confident	96 Å²	96	77.9 Å²	77.9	49%	0.492	40%	0.403	S	S	.	.	H	α-helix	trans	-66	-46.6	179.4	-65.6	164.7	0	0	0	111.1	K166 S167 T168 N174	K166-I170 WeakPolarHBondContact O-CD1 3.17Å; K166-I170 WeakPolarHBondContact O-CG1 3.43Å; K166-I170 PolarHBondContact O-N 3.11Å; K166-I170 VanDerWaalsContact O-N 3.07Å; S167-I170 PolarHBondContact O-N 2.97Å; T168-I170 PolarHBondContact O-N 3.28Å; I170-N174 VanDerWaalsContact O-CG 3.23Å; I170-N174 PolarHBondContact O-N 3.49Å; I170-N174 VanDerWaalsContact O-N 3.07Å; I170-N174 PolarHBondContact O-ND2 3.38Å; I170-N174 VanDerWaalsContact O-ND2 3.1Å
171	Q	76.9	Confident	73.9	Confident	70 Å²	70	80.2 Å²	80.2	33%	0.327	42%	0.419	S	S	.	.	H	α-helix	trans	-65.8	-42.4	-176.6	-72.6	178.1	-63	0	0	112.5	S167 T168 N174 L175	S167-Q171 WeakPolarHBondContact O-CB 3.39Å; S167-Q171 VanDerWaalsContact O-CG 3.23Å; S167-Q171 WeakPolarHBondContact O-CG 3.45Å; S167-Q171 PolarHBondContact O-N 2.95Å; S167-Q171 PolarHBondContact O-OE1 3.1Å; S167-Q171 PolarHBondContact OG-OE1 3.37Å; T168-Q171 PolarHBondContact O-N 3.3Å; Q171-N174 PolarHBondContact O-N 3.45Å; Q171-L175 PolarHBondContact O-N 3.21Å
172	C	74.4	Confident	71.9	Confident	12 Å²	12	85.9 Å²	85.9	8%	0.081	45%	0.449	C	S	.	.	H	α-helix	trans	-76.1	-32.5	-179.1	-58	0	0	0	0	112.4	C8 I90 T168 L175 A176	C8-C172 PolarHBondContact SG-SG 3.22Å; I90-C172 HydrophobicContact CD1-CB 3.91Å; I90-C172 WeakPolarHBondContact CD1-SG 3.3Å; I90-C172 HydrophobicContact CG1-CB 3.75Å; I90-C172 VanDerWaalsContact CG1-SG 3.58Å; T168-C172 WeakPolarHBondContact O-CB 3.29Å; T168-C172 PolarHBondContact O-N 2.94Å; T168-C172 PolarHBondContact O-SG 3.44Å; C172-L175 PolarHBondContact O-N 3.43Å; C172-A176 PolarHBondContact O-N 3.07Å
173	S	75.3	Confident	69.3	Low	55 Å²	55	86.6 Å²	86.6	39%	0.385	47%	0.466	S	S	.	.	H	α-helix	trans	-63.3	-43.3	171.9	-177.6	0	0	0	0	111.4	E169 L175 A176 Y177	E169-S173 WeakPolarHBondContact O-CB 3.32Å; E169-S173 PolarHBondContact O-N 2.78Å; S173-L175 VanDerWaalsContact C-N 3.3Å; S173-L175 PolarHBondContact O-N 3.05Å; S173-A176 PolarHBondContact O-N 3.49Å; S173-Y177 WeakPolarHBondContact O-CD2 3.17Å; S173-Y177 PolarHBondContact O-N 3.05Å
174	N	72.4	Confident	66.8	Low	108 Å²	108	91.7 Å²	91.7	58%	0.578	48%	0.482	S	S	*	.	H	α-helix	trans	-64.6	-34.6	177.7	-71.5	-29.2	0	0	0	112.3	I170 Q171 G178	I170-N174 VanDerWaalsContact O-CG 3.23Å; I170-N174 PolarHBondContact O-N 3.49Å; I170-N174 VanDerWaalsContact O-N 3.07Å; I170-N174 PolarHBondContact O-ND2 3.38Å; I170-N174 VanDerWaalsContact O-ND2 3.1Å; Q171-N174 PolarHBondContact O-N 3.45Å; N174-G178 PolarHBondContact O-N 2.87Å
175	L	70.2	Confident	64.4	Low	116 Å²	116	89.7 Å²	89.7	61%	0.607	49%	0.489	S	S	*	.	H	α-helix	trans	-68.9	-44.2	176.6	-153.3	79.4	0	0	0	111.5	Q171 C172 S173 Y177 G178 E179	Q171-L175 PolarHBondContact O-N 3.21Å; C172-L175 PolarHBondContact O-N 3.43Å; S173-L175 VanDerWaalsContact C-N 3.3Å; S173-L175 PolarHBondContact O-N 3.05Å; L175-Y177 PolarHBondContact O-N 3.34Å; L175-G178 PolarHBondContact O-N 3.48Å; L175-E179 PolarHBondContact O-N 3.05Å
176	A	63.6	Low	61.8	Low	66 Å²	66	99.3 Å²	99.3	55%	0.545	53%	0.527	S	S	.	.	H	α-helix	trans	-66.7	-34.4	179.4	0	0	0	0	0	113.4	C172 S173	C172-A176 PolarHBondContact O-N 3.07Å; S173-A176 PolarHBondContact O-N 3.49Å
177	Y	55.5	Low	59.4	Low	173 Å²	173	104.6 Å²	104.6	68%	0.678	55%	0.553	S	S	*	*	H	α-helix	trans	-83.7	-29	174.9	-86.6	-89.8	0	0	0	113.3	S173 L175 E179 T180 D181	S173-Y177 WeakPolarHBondContact O-CD2 3.17Å; S173-Y177 PolarHBondContact O-N 3.05Å; L175-Y177 PolarHBondContact O-N 3.34Å; Y177-E179 PolarHBondContact O-N 3.38Å; Y177-T180 PolarHBondContact O-N 3.29Å; Y177-T180 PolarHBondContact O-OG1 3.41Å; Y177-T180 VanDerWaalsContact O-OG1 3.09Å; Y177-D181 PolarHBondContact O-N 2.78Å
178	G	55.4	Low	57	Low	41 Å²	41	103.6 Å²	103.6	42%	0.423	55%	0.551	S	S	.	*	H	α-helix	trans	-65.4	-24.6	174.3	0	0	0	0	0	113.1	N174 L175 N182	N174-G178 PolarHBondContact O-N 2.87Å; L175-G178 PolarHBondContact O-N 3.48Å; G178-N182 WeakPolarHBondContact O-CB 3.44Å; G178-N182 PolarHBondContact O-N 3.3Å
179	E	52.9	Low	54.9	Low	150 Å²	150	113.5 Å²	113.5	70%	0.701	59%	0.594	S	S	*	*	H	α-helix	trans	-79.7	-24.9	177.3	-161.2	154.8	140.8	0	0	113.2	L175 Y177	L175-E179 PolarHBondContact O-N 3.05Å; Y177-E179 PolarHBondContact O-N 3.38Å
180	T	50	Low	53	Low	105 Å²	105	115 Å²	115	64%	0.644	61%	0.607	S	S	*	*	H	α-helix	trans	-87.5	-24.8	178.2	42.9	0	0	0	0	114.2	Y177	Y177-T180 PolarHBondContact O-N 3.29Å; Y177-T180 PolarHBondContact O-OG1 3.41Å; Y177-T180 VanDerWaalsContact O-OG1 3.09Å
181	D	46.9	Very low	51.1	Low	144 Å²	144	114.7 Å²	114.7	77%	0.77	61%	0.613	S	S	*	*	H	α-helix	trans	-99.4	-3.3	177.7	-113.4	-18.3	0	0	0	114.7	Y177	Y177-D181 PolarHBondContact O-N 2.78Å
182	N	44.3	Very low	49.7	Very low	120 Å²	120	117.6 Å²	117.6	64%	0.642	63%	0.631	S	S	*	*			trans	-115.8	17.5	177.5	-124.8	13.1	0	0	0	114.8	G178 R184	G178-N182 WeakPolarHBondContact O-CB 3.44Å; G178-N182 PolarHBondContact O-N 3.3Å; N182-R184 PolarHBondContact O-N 3.45Å
183	S	36.8	Very low	48.6	Very low	108 Å²	108	119.8 Å²	119.8	76%	0.755	65%	0.65	S	S	*	*	S	Bend	trans	-76.8	11.8	160.8	-78	0	0	0	0	113.5
184	R	37.1	Very low	47.3	Very low	230 Å²	230	123.7 Å²	123.7	87%	0.868	67%	0.667	S	S	*	*	S	Bend	trans	-107.6	93.3	157.8	-78.3	-180	169.5	149	-3.3	108.4	N182	N182-R184 PolarHBondContact O-N 3.45Å
185	G	34.6	Very low	46.3	Very low	57 Å²	57	126.1 Å²	126.1	59%	0.588	68%	0.676	S	S	*	*			trans	135	26.7	167.3	0	0	0	0	0	117.7	H187	G185-H187 PolarHBondContact O-N 3.36Å
186	Y	29.9	Very low	45.6	Very low	228 Å²	228	128 Å²	128	89%	0.894	69%	0.686	S	S	*	*			trans	-62.1	86.2	152	-104.1	-88.5	0	0	0	107.8	G188	Y186-G188 PolarHBondContact O-N 3.09Å
187	H	38.3	Very low	44.7	Very low	191 Å²	191	130.3 Å²	130.3	88%	0.884	69%	0.69	S	S	*	*			trans	-68.5	73.4	156.3	-99.2	-87.5	0	0	0	106.6	G185	G185-H187 PolarHBondContact O-N 3.36Å
188	G	35	Very low	44.3	Very low	35 Å²	35	127.4 Å²	127.4	36%	0.361	70%	0.701	S	S	.	*			trans	-63.4	145.6	159	0	0	0	0	0	108.2	Y186 T190	Y186-G188 PolarHBondContact O-N 3.09Å; G188-T190 VanDerWaalsContact C-N 3.34Å; G188-T190 WeakPolarHBondContact O-CG2 3.36Å; G188-T190 PolarHBondContact O-N 3.3Å
189	F	35.7	Very low	44	Very low	220 Å²	220	129.7 Å²	129.7	97%	0.965	71%	0.71	S	S	*	*	S	Bend	trans	-49.8	91.3	175.2	-63.3	-93.8	0	0	0	111.5
190	T	44	Very low	43.6	Very low	90 Å²	90	126 Å²	126	55%	0.552	71%	0.712	S	S	*	*			trans	-147.9	59.1	172	155.7	0	0	0	0	108.1	G188	G188-T190 VanDerWaalsContact C-N 3.34Å; G188-T190 WeakPolarHBondContact O-CG2 3.36Å; G188-T190 PolarHBondContact O-N 3.3Å
191	S	43.5	Very low	43.5	Very low	90 Å²	90	127.7 Å²	127.7	63%	0.629	72%	0.723	S	S	*	*	S	Bend	trans	-101.8	-4	155.9	51.7	0	0	0	0	112
192	D	46.9	Very low	43.5	Very low	130 Å²	130	123.7 Å²	123.7	70%	0.695	72%	0.716	S	S	*	*	S	Bend	trans	-105.9	-10.7	178.7	-60.7	-18.2	0	0	0	112.7
193	A	52	Low	43.7	Very low	59 Å²	59	124.7 Å²	124.7	49%	0.488	73%	0.729	S	S	.	*	S	Bend	trans	-85.6	-23.2	-179.2	0	0	0	0	0	113.5	M195	A193-M195 VanDerWaalsContact C-N 3.27Å; A193-M195 PolarHBondContact O-N 2.79Å
194	D	48	Very low	44.3	Very low	137 Å²	137	126.5 Å²	126.5	73%	0.733	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.5	-4.2	174.7	-86.7	-9.9	0	0	0	113.3	L196	D194-L196 VanDerWaalsContact C-N 3.28Å
195	M	51.2	Low	44.7	Very low	159 Å²	159	122.3 Å²	122.3	78%	0.783	73%	0.73	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.1	-3.1	174.2	-59.8	-71.8	-157	0	0	112.9	A193	A193-M195 VanDerWaalsContact C-N 3.27Å; A193-M195 PolarHBondContact O-N 2.79Å
196	L	55.4	Low	45.2	Very low	154 Å²	154	124.6 Å²	124.6	81%	0.806	74%	0.735	S	S	*	*	S	Bend	trans	-112.8	-0.5	-174.9	-69.2	173	0	0	0	114.2	D194 A198	D194-L196 VanDerWaalsContact C-N 3.28Å; L196-A198 PolarHBondContact O-N 2.86Å
197	D	45.6	Very low	45.9	Very low	116 Å²	116	120.9 Å²	120.9	62%	0.62	73%	0.73	S	S	*	*			trans	-95.6	85.1	172.9	-159.2	-10	0	0	0	111.3	S199	D197-S199 PolarHBondContact O-N 3.4Å; D197-S199 PolarHBondContact OD1-OG 3.47Å
198	A	46.1	Very low	46.5	Very low	112 Å²	112	118 Å²	118	93%	0.926	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.8	39.9	178.3	0	0	0	0	0	113.6	L196	L196-A198 PolarHBondContact O-N 2.86Å
199	S	49.6	Very low	46.6	Very low	88 Å²	88	122 Å²	122	62%	0.615	75%	0.746	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128.4	1.8	-177	73.1	0	0	0	0	116	D197 T201	D197-S199 PolarHBondContact O-N 3.4Å; D197-S199 PolarHBondContact OD1-OG 3.47Å; S199-T201 PolarHBondContact O-N 2.68Å
200	G	44.6	Very low	47.2	Very low	72 Å²	72	117.4 Å²	117.4	74%	0.742	74%	0.736	S	S	*	*			trans	-76.8	111	178.2	0	0	0	0	0	114.2	G202	G200-G202 PolarHBondContact O-N 2.94Å
201	T	47.9	Very low	47.1	Very low	141 Å²	141	119 Å²	119	87%	0.865	75%	0.745	S	S	*	*			trans	-64	112.4	170.8	46.8	0	0	0	0	112.3	S199	S199-T201 PolarHBondContact O-N 2.68Å
202	G	46.9	Very low	46.6	Very low	61 Å²	61	123.3 Å²	123.3	63%	0.629	76%	0.755	S	S	*	*			trans	65.4	128.3	135.6	0	0	0	0	0	120.2	G200	G200-G202 PolarHBondContact O-N 2.94Å
203	P	47.9	Very low	46.5	Very low	140 Å²	140	122.5 Å²	122.5	91%	0.909	76%	0.76	S	S	*	*			trans	-77.4	140.2	-178	0.7	16.9	0	0	0	112.8
204	V	49.3	Very low	45.7	Very low	147 Å²	147	126.5 Å²	126.5	89%	0.891	77%	0.773	S	S	*	*			trans	-110.7	131	172.1	-179.8	0	0	0	0	109.7
205	D	46.6	Very low	45.5	Very low	141 Å²	141	129.5 Å²	129.5	75%	0.754	78%	0.78	S	S	*	*			trans	-54.1	151.8	-172.5	-109.1	-37.5	0	0	0	115.8
206	P	45.8	Very low	44.8	Very low	106 Å²	106	128.8 Å²	128.8	69%	0.688	78%	0.779	S	S	*	*	S	Bend	trans	-99.3	83.3	-177.8	37.2	-26	0	0	0	111.3
207	D	43.1	Very low	44	Very low	150 Å²	150	131.9 Å²	131.9	80%	0.802	78%	0.782	S	S	*	*			trans	-154.8	25.6	176.4	-96.3	-29.7	0	0	0	117.2
208	T	52.3	Low	43.5	Very low	129 Å²	129	135.4 Å²	135.4	79%	0.791	80%	0.795	S	S	*	*			trans	-118.8	109.5	-179.6	-5.1	0	0	0	0	113.8
209	P	36.6	Very low	43.2	Very low	120 Å²	120	133.9 Å²	133.9	78%	0.779	79%	0.79	S	S	*	*			trans	-90.7	124.8	171.7	33.2	-26.9	0	0	0	110.2
210	V	48.1	Very low	42.6	Very low	124 Å²	124	132.7 Å²	132.7	75%	0.752	79%	0.791	S	S	*	*			trans	-139.3	93.5	171.9	-144.7	0	0	0	0	112
211	T	40.9	Very low	42.1	Very low	122 Å²	122	136.8 Å²	136.8	75%	0.748	80%	0.796	S	S	*	*			trans	9.1	122	142.3	54.6	0	0	0	0	121.5
212	H	34.8	Very low	41.8	Very low	181 Å²	181	141 Å²	141	84%	0.838	80%	0.798	S	S	*	*			trans	25.3	123.5	135.1	-85.3	-96.5	0	0	0	121.5
213	S	43.5	Very low	41	Very low	114 Å²	114	149.9 Å²	149.9	80%	0.797	81%	0.812	S	S	*	*			trans	-155.2	110.6	132.4	53.5	0	0	0	0	113.3
214	N	36.6	Very low	40.8	Very low	143 Å²	143	148.1 Å²	148.1	77%	0.765	81%	0.81	S	S	*	*			trans	19	125.4	149.3	-57.2	-23.1	0	0	0	121.6
215	F	42.3	Very low	40.1	Very low	199 Å²	199	144.2 Å²	144.2	87%	0.873	80%	0.799	S	S	*	*			trans	-150.2	109.8	130.3	-120.2	-84.7	0	0	0	110.6
216	D	37.1	Very low	39.7	Very low	145 Å²	145	146.6 Å²	146.6	78%	0.775	81%	0.811	S	S	*	*			trans	-79.5	133.7	171.1	-112.5	-36.1	0	0	0	109.7
217	Y	38.9	Very low	39.3	Very low	218 Å²	218	144.8 Å²	144.8	86%	0.855	81%	0.812	S	S	*	*			trans	-144.2	105.2	153.3	-114.6	-86.1	0	0	0	108.8
218	Q	35.4	Very low	39.1	Very low	191 Å²	191	144.9 Å²	144.9	89%	0.893	81%	0.812	S	S	*	*			trans	-67.6	138.5	169.8	-77.3	-166.5	-44.1	0	0	111.1
219	G	39.3	Very low	38.4	Very low	80 Å²	80	144.8 Å²	144.8	83%	0.825	81%	0.811	S	S	*	*			trans	-174.5	81.5	169.3	0	0	0	0	0	114.8
220	G	35.9	Very low	38.6	Very low	63 Å²	63	149.4 Å²	149.4	65%	0.649	81%	0.814	S	S	*	*			trans	85.4	94.3	144.9	0	0	0	0	0	119.2
221	N	34.9	Very low	38.2	Very low	157 Å²	157	148.9 Å²	148.9	84%	0.84	82%	0.816	S	S	*	*			trans	-67.6	128.5	160.9	-87	-38.6	0	0	0	112
222	Y	41	Very low	38.3	Very low	231 Å²	231	147.7 Å²	147.7	91%	0.906	82%	0.819	S	S	*	*			trans	-129.2	100.5	148.9	-54.7	-74.1	0	0	0	108.9
223	R	31.8	Very low	38.8	Very low	247 Å²	247	147.6 Å²	147.6	93%	0.932	82%	0.819	S	S	*	*			trans	-107.9	110.1	174.2	-170.9	-177.2	-169.7	175.1	3.8	108.5
224	A	42.6	Very low	39.3	Very low	103 Å²	103	148.3 Å²	148.3	85%	0.851	82%	0.821	S	S	*	*			trans	-159	114.9	155.4	0	0	0	0	0	104.8
225	G	35.2	Very low	40	Very low	65 Å²	65	150.6 Å²	150.6	67%	0.67	83%	0.829	S	S	*	*			cis	107.6	115.3	37.4	0	0	0	0	0	107.4
226	L	38	Very low	40.1	Very low	191 Å²	191	147 Å²	147	100%	1	83%	0.829	S	S	*	*			trans	93.2	118.5	169.5	-64.8	128.8	0	0	0	118.5
227	G	37.6	Very low	40.5	Very low	68 Å²	68	143.6 Å²	143.6	70%	0.701	83%	0.828	S	S	*	*			trans	133.8	90.3	143	0	0	0	0	0	116.2
228	D	37.6	Very low	40.8	Very low	151 Å²	151	142.3 Å²	142.3	81%	0.807	82%	0.823	S	S	*	*			trans	78.5	94.9	144.6	-53.8	-20.1	0	0	0	120.5
229	V	37.8	Very low	41.7	Very low	127 Å²	127	141.1 Å²	141.1	77%	0.77	82%	0.817	S	S	*	*			trans	-57.2	121.9	150.1	172.9	0	0	0	0	109.8
230	Y	41.9	Very low	42.1	Very low	217 Å²	217	144.8 Å²	144.8	85%	0.851	83%	0.826	S	S	*	*			trans	-132.3	101.3	149.3	-88.8	-86.1	0	0	0	108.8
231	S	38.2	Very low	42.4	Very low	113 Å²	113	148.9 Å²	148.9	79%	0.79	84%	0.835	S	S	*	*			trans	-68	123.2	159.2	-62.5	0	0	0	0	108.1
232	A	43.9	Very low	42.8	Very low	98 Å²	98	148.5 Å²	148.5	81%	0.81	84%	0.835	S	S	*	*			trans	-118.2	113.9	165.3	0	0	0	0	0	108
233	E	44.7	Very low	42.9	Very low	178 Å²	178	143.9 Å²	143.9	83%	0.832	83%	0.831	S	S	*	*			trans	-56.4	146.5	169.9	-79.5	156.5	92.3	0	0	111.5	M235	E233-M235 PolarHBondContact O-N 3.35Å
234	P	55.4	Low	43.6	Very low	129 Å²	129	137.8 Å²	137.8	84%	0.838	83%	0.825	S	S	*	*			trans	-73	110.4	171.3	29.3	-29.9	0	0	0	109.3	S236	P234-S236 PolarHBondContact O-N 3.28Å
235	M	50.1	Low	43.6	Very low	192 Å²	192	140 Å²	140	95%	0.946	82%	0.824	S	S	*	*			trans	-64	117.5	167.4	-77.5	-164.3	-166.9	0	0	110.1	E233	E233-M235 PolarHBondContact O-N 3.35Å
236	S	44	Very low	44.2	Very low	123 Å²	123	145 Å²	145	86%	0.86	83%	0.834	S	S	*	*			trans	-53.9	129.1	157.2	178.1	0	0	0	0	110.5	P234	P234-S236 PolarHBondContact O-N 3.28Å
237	G	46.6	Very low	44.6	Very low	73 Å²	73	141.7 Å²	141.7	75%	0.753	82%	0.822	S	S	*	*			trans	-155.5	85.4	-179.1	0	0	0	0	0	111.4
238	Y	45.4	Very low	45.2	Very low	192 Å²	192	147.4 Å²	147.4	75%	0.753	83%	0.831	S	S	*	*			trans	-21.4	141.5	162.3	-133.5	-95.5	0	0	0	117.4	P240	Y238-P240 WeakPolarHBondContact CE1-OXT 3.13Å
239	Q	54	Low	45.8	Very low	165 Å²	165	147.1 Å²	147.1	77%	0.771	83%	0.833	S	S	*	*				161.3	150.3	118.1	-75.3	-109.6	-94.3	0	0	110.6
240	P	47.8	Very low	46.5	Very low	158 Å²	158	148.9 Å²	148.9	100%	1.026	84%	0.839	S	S	*	*			cis	-79	0	15.9	30.7	-33.3	0	0	0	114.6	Y238	Y238-P240 WeakPolarHBondContact CE1-OXT 3.13Å

Retrieved 240 of 240 residues in 729.2 ms (Link to these results)

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