A0A077Z081_TRITR Loading...

Protein GLB 18, a

AlphaFold DB , UniProt , Accession A0A077Z081, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 191 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	38.1	Very low	36.5	Very low	237 Å²	237	163.4 Å²	163.4	100%	1.167	86%	0.862	S	S	*	*				0	100.1	0	-70.3	-82.2	-174.7	0	0	107.9
2	P	37.4	Very low	36.4	Very low	128 Å²	128	162.8 Å²	162.8	83%	0.831	86%	0.857	S	S	*	*			trans	-81.6	125.3	-171.9	31.2	-30.3	0	0	0	112.3
3	N	32.1	Very low	36.1	Very low	140 Å²	140	157.8 Å²	157.8	75%	0.749	84%	0.84	S	S	*	*			trans	11.9	101	149.6	-139	-4.4	0	0	0	117.8
4	R	39.8	Very low	36.2	Very low	241 Å²	241	160.5 Å²	160.5	91%	0.909	84%	0.841	S	S	*	*			trans	-110.6	19.8	176	-140.4	-178.7	-169.4	-169.2	2.8	113.6
5	F	38.5	Very low	36.6	Very low	191 Å²	191	160.5 Å²	160.5	84%	0.838	83%	0.834	S	S	*	*			trans	-101.4	41.2	-173.7	-81.2	-76.7	0	0	0	114.9
6	L	36	Very low	36.7	Very low	157 Å²	157	161.8 Å²	161.8	82%	0.822	84%	0.835	S	S	*	*			trans	-135.8	35.2	179.3	-92.8	167.5	0	0	0	115.1
7	K	34.8	Very low	37.2	Very low	198 Å²	198	159.7 Å²	159.7	86%	0.861	82%	0.821	S	S	*	*			trans	-137.7	39	172.6	-80.4	-164.4	176.8	-177	0	115.5
8	I	35.2	Very low	37.9	Very low	177 Å²	177	160.9 Å²	160.9	91%	0.908	82%	0.822	S	S	*	*			trans	-128.6	62.5	161.8	-48	177.1	0	0	0	108.3
9	A	39.7	Very low	38.9	Very low	103 Å²	103	158.6 Å²	158.6	85%	0.851	81%	0.806	S	S	*	*			trans	-126.6	22	170.1	0	0	0	0	0	111.6
10	S	36.2	Very low	40.3	Very low	100 Å²	100	151.8 Å²	151.8	70%	0.699	77%	0.774	S	S	*	*	S	Bend	trans	-133.7	88.3	175.9	62.4	0	0	0	0	108.7
11	C	34	Very low	42.2	Very low	125 Å²	125	148 Å²	148	85%	0.845	76%	0.759	S	S	*	*			trans	156.3	48.5	158.2	-83.7	0	0	0	0	109.3	P13	C11-P13 WeakPolarHBondContact O-CD 3.49Å
12	I	35.6	Very low	44.7	Very low	157 Å²	157	138.1 Å²	138.1	81%	0.805	71%	0.71	S	S	*	*			trans	-96.7	107.3	153.6	-58.4	178.5	0	0	0	103.7	K14	I12-K14 PolarHBondContact O-N 2.9Å; I12-K14 VanDerWaalsContact O-N 3.09Å
13	P	32.3	Very low	47.2	Very low	98 Å²	98	137.5 Å²	137.5	64%	0.636	70%	0.7	S	S	*	*			trans	-54.3	121.5	170.6	-18.2	30.2	0	0	0	106.6	C11 H15	C11-P13 WeakPolarHBondContact O-CD 3.49Å; P13-H15 PolarHBondContact O-N 3.41Å
14	K	37.3	Very low	50.3	Low	195 Å²	195	132.1 Å²	132.1	85%	0.848	67%	0.671	S	S	*	*			trans	-63.5	88.3	161.8	-66.5	-178.8	-179.7	-178.6	0	104.8	I12 E16	I12-K14 PolarHBondContact O-N 2.9Å; I12-K14 VanDerWaalsContact O-N 3.09Å; K14-E16 PolarHBondContact O-N 3.12Å
15	H	41.8	Very low	53	Low	161 Å²	161	124.3 Å²	124.3	75%	0.745	65%	0.65	S	S	*	*			trans	-58.1	100.2	153.3	-88.6	-79.9	0	0	0	103.5	P13 E17	P13-H15 PolarHBondContact O-N 3.41Å; H15-E17 PolarHBondContact O-N 3.06Å
16	E	38.5	Very low	55.8	Low	181 Å²	181	120.3 Å²	120.3	85%	0.846	64%	0.638	S	S	*	*			trans	-56.6	96	157.6	-74	-179.6	160.5	0	0	104.1	K14 E18	K14-E16 PolarHBondContact O-N 3.12Å; E16-E18 PolarHBondContact O-N 3.31Å
17	E	46.1	Very low	58.7	Low	126 Å²	126	117.8 Å²	117.8	59%	0.589	63%	0.625	S	S	*	*			trans	-61.2	96.1	172.4	-77.6	175.7	153.2	0	0	105.1	H15 K19	H15-E17 PolarHBondContact O-N 3.06Å; E17-K19 VanDerWaalsContact C-N 3.26Å; E17-K19 PolarHBondContact O-N 3.18Å
18	E	48.8	Very low	61.8	Low	182 Å²	182	109 Å²	109	85%	0.85	59%	0.587	S	S	*	*			trans	-51.8	102.9	160.9	-87.7	-175.8	148.7	0	0	105.8	E16 A20	E16-E18 PolarHBondContact O-N 3.31Å; E18-A20 PolarHBondContact O-N 3.41Å
19	K	56.5	Low	64.8	Low	117 Å²	117	101.5 Å²	101.5	51%	0.509	55%	0.549	S	S	.	.			trans	-52	112.7	173.6	-80.7	-172.5	167.6	-164.9	0	106.5	E17 T21	E17-K19 VanDerWaalsContact C-N 3.26Å; E17-K19 PolarHBondContact O-N 3.18Å; K19-T21 PolarHBondContact O-N 3.05Å; K19-T21 PolarHBondContact O-OG1 3.08Å
20	A	66.8	Low	67.5	Low	21 Å²	21	99.9 Å²	99.9	17%	0.174	53%	0.531	C	S	.	.			trans	-67.5	86.7	-175.1	0	0	0	0	0	110.9	E18 H180 R181	E18-A20 PolarHBondContact O-N 3.41Å; A20-H180 HydrophobicContact CB-CB 4.4Å; A20-H180 WeakPolarHBondContact CB-CD2 3.12Å; A20-H180 WeakPolarHBondContact CB-NE2 3.42Å; A20-R181 VanDerWaalsContact O-CZ 3.27Å; A20-R181 PolarHBondContact O-NE 3.33Å; A20-R181 PolarHBondContact O-NH2 2.99Å
21	T	80.7	Confident	70.5	Confident	74 Å²	74	95.4 Å²	95.4	45%	0.454	50%	0.5	S	S	.	.			trans	-80.9	137.6	174.7	41.8	0	0	0	0	108.4	K19 N23	K19-T21 PolarHBondContact O-N 3.05Å; K19-T21 PolarHBondContact O-OG1 3.08Å; T21-N23 VanDerWaalsContact C-N 3.31Å; T21-N23 PolarHBondContact O-N 3.26Å; T21-N23 PolarHBondContact OG1-ND2 3.11Å; T21-N23 PolarHBondContact OG1-OD1 2.98Å
22	L	90.7	Very high	73.5	Confident	28 Å²	28	89.5 Å²	89.5	15%	0.147	46%	0.46	C	S	.	.			trans	-71.8	90.4	172.8	-179.4	60.5	0	0	0	108.9	L24 K102 A103 L174 Y177	L22-L24 HydrophobicContact CD1-CD1 3.82Å; L22-L24 HydrophobicContact CD1-CG 3.93Å; L22-L24 HydrophobicContact CD2-CD1 3.93Å; L22-L24 HydrophobicContact CG-CD1 3.76Å; L22-L24 HydrophobicContact CG-CG 4.05Å; L22-L24 PolarHBondContact O-N 3.24Å; L22-K102 HydrophobicContact CD2-CG 4.19Å; L22-A103 HydrophobicContact CD2-CB 3.94Å; L22-L174 HydrophobicContact CD1-CD1 4.12Å; L22-L174 HydrophobicContact CD2-CD1 3.76Å; L22-Y177 HydrophobicContact CB-CD2 3.73Å; L22-Y177 HydrophobicContact CB-CE2 3.9Å; L22-Y177 HydrophobicContact CB-CG 4.04Å; L22-Y177 HydrophobicContact CD1-CD1 4.47Å; L22-Y177 HydrophobicContact CD1-CD2 4.45Å; L22-Y177 HydrophobicContact CD1-CG 3.99Å; L22-Y177 HydrophobicContact CD2-CD1 4.45Å; L22-Y177 HydrophobicContact CG-CG 4.44Å
23	N	90.8	Very high	76.5	Confident	116 Å²	116	84.1 Å²	84.1	62%	0.62	44%	0.436	S	S	*	.			trans	-92.1	93	-177.9	-65.8	-34.2	0	0	0	110.7	T21	T21-N23 VanDerWaalsContact C-N 3.31Å; T21-N23 PolarHBondContact O-N 3.26Å; T21-N23 PolarHBondContact OG1-ND2 3.11Å; T21-N23 PolarHBondContact OG1-OD1 2.98Å
24	L	95.9	Very high	79.6	Confident	27 Å²	27	81.7 Å²	81.7	14%	0.141	42%	0.424	C	S	.	.			trans	-114.9	140.3	175.5	-65.1	166.6	0	0	0	110.1	L22 E28 I29 L32 A103 K173	L22-L24 HydrophobicContact CD1-CD1 3.82Å; L22-L24 HydrophobicContact CD1-CG 3.93Å; L22-L24 HydrophobicContact CD2-CD1 3.93Å; L22-L24 HydrophobicContact CG-CD1 3.76Å; L22-L24 HydrophobicContact CG-CG 4.05Å; L22-L24 PolarHBondContact O-N 3.24Å; L24-E28 WeakPolarHBondContact CA-OE2 3.42Å; L24-E28 HydrophobicContact CB-CB 4.17Å; L24-E28 HydrophobicContact CD2-CB 3.92Å; L24-I29 HydrophobicContact CB-CD1 4.34Å; L24-I29 HydrophobicContact CB-CG1 3.81Å; L24-I29 HydrophobicContact CD1-CG1 4.28Å; L24-L32 HydrophobicContact CD1-CD1 3.61Å; L24-A103 HydrophobicContact CD1-CB 3.63Å; L24-K173 HydrophobicContact CD2-CB 3.86Å; L24-K173 HydrophobicContact CD2-CD 3.84Å
25	T	97	Very high	82.4	Confident	77 Å²	77	72.4 Å²	72.4	47%	0.472	38%	0.384	S	S	.	.			trans	-73	163.5	167.5	60.7	0	0	0	0	110.8	D27 E28 I29	T25-D27 VanDerWaalsContact C-N 3.26Å; T25-D27 PolarHBondContact O-N 3.5Å; T25-E28 PolarHBondContact N-OE2 3.21Å; T25-E28 WeakPolarHBondContact O-CB 3.44Å; T25-E28 PolarHBondContact O-N 3.31Å; T25-E28 VanDerWaalsContact O-N 3.1Å; T25-E28 VanDerWaalsContact OG1-CG 3.23Å; T25-E28 WeakPolarHBondContact OG1-CG 3.5Å; T25-E28 PolarHBondContact OG1-N 3.35Å; T25-E28 PolarHBondContact OG1-OE2 2.86Å; T25-E28 VanDerWaalsContact OG1-OE2 3.1Å; T25-I29 WeakPolarHBondContact O-CG1 3.28Å; T25-I29 PolarHBondContact O-N 3.29Å
26	D	97.4	Very high	85.1	Confident	106 Å²	106	65.5 Å²	65.5	57%	0.567	35%	0.351	S	S	*	.	H	α-helix	trans	-61.3	-35.9	176.9	-72.1	-14.8	0	0	0	112.3	I29 S30 K106	D26-I29 PolarHBondContact O-N 3.11Å; D26-S30 WeakPolarHBondContact O-CB 3.28Å; D26-S30 PolarHBondContact O-N 2.66Å; D26-K106 IonicContact OD1-NZ 3.78Å; D26-K106 PolarHBondContact OD1-NZ 3.21Å; D26-K106 IonicContact OD2-NZ 3.94Å
27	D	97.5	Very high	87.8	Confident	104 Å²	104	61 Å²	61	56%	0.556	33%	0.329	S	S	*	.	H	α-helix	trans	-62.8	-41.8	173.5	-73.3	-5.9	0	0	0	111.6	T25 S30 V31	T25-D27 VanDerWaalsContact C-N 3.26Å; T25-D27 PolarHBondContact O-N 3.5Å; D27-S30 PolarHBondContact O-N 2.87Å; D27-V31 PolarHBondContact O-N 3.13Å
28	E	98.4	Very high	90.1	Very high	13 Å²	13	58.5 Å²	58.5	6%	0.061	31%	0.314	C	S	.	.	H	α-helix	trans	-66.6	-40.9	177.6	-73.3	169.6	145.1	0	0	111.9	L24 T25 V31 L32 T166 A170 K173	L24-E28 WeakPolarHBondContact CA-OE2 3.42Å; L24-E28 HydrophobicContact CB-CB 4.17Å; L24-E28 HydrophobicContact CD2-CB 3.92Å; T25-E28 PolarHBondContact N-OE2 3.21Å; T25-E28 WeakPolarHBondContact O-CB 3.44Å; T25-E28 PolarHBondContact O-N 3.31Å; T25-E28 VanDerWaalsContact O-N 3.1Å; T25-E28 VanDerWaalsContact OG1-CG 3.23Å; T25-E28 WeakPolarHBondContact OG1-CG 3.5Å; T25-E28 PolarHBondContact OG1-N 3.35Å; T25-E28 PolarHBondContact OG1-OE2 2.86Å; T25-E28 VanDerWaalsContact OG1-OE2 3.1Å; E28-V31 VanDerWaalsContact O-CG2 3.26Å; E28-V31 WeakPolarHBondContact O-CG2 3.46Å; E28-L32 VanDerWaalsContact O-CG 3.32Å; E28-L32 WeakPolarHBondContact O-CG 3.38Å; E28-L32 PolarHBondContact O-N 3.1Å; E28-L32 VanDerWaalsContact O-N 3.1Å; E28-T166 HydrophobicContact CB-CG2 4.44Å; E28-T166 HydrophobicContact CG-CG2 3.73Å; E28-A170 HydrophobicContact CB-CB 3.84Å; E28-A170 HydrophobicContact CG-CB 4.07Å; E28-K173 WeakPolarHBondContact OE1-CD 3.34Å; E28-K173 VanDerWaalsContact OE1-CE 3.26Å; E28-K173 WeakPolarHBondContact OE1-CE 3.32Å; E28-K173 IonicContact OE1-NZ 2.91Å; E28-K173 PolarHBondContact OE1-NZ 3.12Å; E28-K173 IonicContact OE2-NZ 3.26Å; E28-K173 PolarHBondContact OE2-NZ 3.11Å
29	I	98.2	Very high	92.2	Very high	21 Å²	21	56.9 Å²	56.9	11%	0.108	31%	0.311	C	S	.	.	H	α-helix	trans	-63.2	-45.2	174.2	-64.5	168.1	0	0	0	109.8	L24 T25 D26 V31 L32 S33 A103 E104 K106	L24-I29 HydrophobicContact CB-CD1 4.34Å; L24-I29 HydrophobicContact CB-CG1 3.81Å; L24-I29 HydrophobicContact CD1-CG1 4.28Å; T25-I29 WeakPolarHBondContact O-CG1 3.28Å; T25-I29 PolarHBondContact O-N 3.29Å; D26-I29 PolarHBondContact O-N 3.11Å; I29-V31 PolarHBondContact O-N 3.1Å; I29-L32 WeakPolarHBondContact O-CB 3.49Å; I29-L32 PolarHBondContact O-N 3.37Å; I29-L32 VanDerWaalsContact O-N 3.16Å; I29-S33 PolarHBondContact O-N 3.37Å; I29-S33 PolarHBondContact O-OG 3.17Å; I29-A103 HydrophobicContact CG1-CB 4.48Å; I29-E104 HydrophobicContact CG2-CG 4.16Å; I29-K106 HydrophobicContact CD1-CG 4.32Å
30	S	97.9	Very high	94.2	Very high	69 Å²	69	54.3 Å²	54.3	48%	0.483	30%	0.303	S	S	.	.	H	α-helix	trans	-57.8	-45.3	179.9	-177.8	0	0	0	0	112.2	D26 D27 S33 A34	D26-S30 WeakPolarHBondContact O-CB 3.28Å; D26-S30 PolarHBondContact O-N 2.66Å; D27-S30 PolarHBondContact O-N 2.87Å; S30-S33 PolarHBondContact O-N 3.17Å; S30-A34 WeakPolarHBondContact O-CB 3.19Å; S30-A34 PolarHBondContact O-N 3.09Å
31	V	98.1	Very high	95.5	Very high	6 Å²	6	60.4 Å²	60.4	4%	0.036	33%	0.326	C	S	.	.	H	α-helix	trans	-71.9	-30.2	178.1	-59.8	0	0	0	0	113.1	D27 E28 I29 T35 Q163 T166 V167 A170	D27-V31 PolarHBondContact O-N 3.13Å; E28-V31 VanDerWaalsContact O-CG2 3.26Å; E28-V31 WeakPolarHBondContact O-CG2 3.46Å; I29-V31 PolarHBondContact O-N 3.1Å; V31-T35 WeakPolarHBondContact O-CB 3.31Å; V31-T35 VanDerWaalsContact O-CG2 3.29Å; V31-T35 WeakPolarHBondContact O-CG2 3.34Å; V31-T35 PolarHBondContact O-N 3.25Å; V31-T35 PolarHBondContact O-OG1 3.04Å; V31-Q163 HydrophobicContact CG1-CB 4.24Å; V31-Q163 HydrophobicContact CG1-CG 4.35Å; V31-T166 HydrophobicContact CG1-CG2 4.25Å; V31-T166 HydrophobicContact CG2-CG2 3.74Å; V31-V167 HydrophobicContact CB-CG2 3.76Å; V31-V167 HydrophobicContact CG1-CG2 4.34Å; V31-V167 HydrophobicContact CG2-CG2 4.12Å; V31-A170 HydrophobicContact CG2-CB 3.94Å
32	L	98.3	Very high	96.2	Very high	1 Å²	1	62 Å²	62	1%	0.005	33%	0.328	C	S	.	.	H	α-helix	trans	-62.4	-49.3	171.3	-72.5	173.3	0	0	0	110.5	L24 E28 I29 A34 T35 W36 V100 A103 A170 W171 L174	L24-L32 HydrophobicContact CD1-CD1 3.61Å; E28-L32 VanDerWaalsContact O-CG 3.32Å; E28-L32 WeakPolarHBondContact O-CG 3.38Å; E28-L32 PolarHBondContact O-N 3.1Å; E28-L32 VanDerWaalsContact O-N 3.1Å; I29-L32 WeakPolarHBondContact O-CB 3.49Å; I29-L32 PolarHBondContact O-N 3.37Å; I29-L32 VanDerWaalsContact O-N 3.16Å; L32-A34 VanDerWaalsContact C-N 3.34Å; L32-A34 PolarHBondContact O-N 2.94Å; L32-T35 PolarHBondContact O-N 2.91Å; L32-T35 PolarHBondContact O-OG1 3.3Å; L32-W36 VanDerWaalsContact O-CB 3.25Å; L32-W36 WeakPolarHBondContact O-CB 3.17Å; L32-W36 PolarHBondContact O-N 2.67Å; L32-W36 VanDerWaalsContact O-N 3.08Å; L32-V100 HydrophobicContact CB-CG1 4.31Å; L32-A103 HydrophobicContact CD1-CB 4.23Å; L32-A170 HydrophobicContact CD1-CB 4.31Å; L32-A170 HydrophobicContact CD2-CB 3.96Å; L32-A170 HydrophobicContact CG-CB 3.85Å; L32-W171 HydrophobicContact CD2-CD2 3.63Å; L32-W171 VanDerWaalsContact CD2-CE2 3.49Å; L32-W171 HydrophobicContact CD2-CE3 4.27Å; L32-W171 HydrophobicContact CD2-CG 3.82Å; L32-W171 HydrophobicContact CD2-CZ2 3.99Å; L32-L174 HydrophobicContact CD1-CD1 4.29Å; L32-L174 HydrophobicContact CD1-CD2 4.4Å; L32-L174 HydrophobicContact CD2-CD2 4.12Å
33	S	97.2	Very high	96.5	Very high	43 Å²	43	61.5 Å²	61.5	30%	0.301	32%	0.324	S	S	.	.	H	α-helix	trans	-60	-42.9	176.9	-59.4	0	0	0	0	112.3	I29 S30 E104	I29-S33 PolarHBondContact O-N 3.37Å; I29-S33 PolarHBondContact O-OG 3.17Å; S30-S33 PolarHBondContact O-N 3.17Å; S33-E104 VanDerWaalsContact CB-OE1 3.31Å; S33-E104 WeakPolarHBondContact CB-OE1 3.38Å; S33-E104 WeakPolarHBondContact OG-CG 3.35Å; S33-E104 PolarHBondContact OG-OE1 3.33Å
34	A	96.8	Very high	96.9	Very high	48 Å²	48	56.8 Å²	56.8	40%	0.397	30%	0.299	S	S	.	.	H	α-helix	trans	-71.3	-29.1	-178.2	0	0	0	0	0	113.4	S30 L32 F158	S30-A34 WeakPolarHBondContact O-CB 3.19Å; S30-A34 PolarHBondContact O-N 3.09Å; L32-A34 VanDerWaalsContact C-N 3.34Å; L32-A34 PolarHBondContact O-N 2.94Å; A34-F158 HydrophobicContact CB-CE2 4.2Å
35	T	97.8	Very high	97	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-93	-13	-178.9	56.5	0	0	0	0	113.9	V31 L32 W43 M156 L159 V167 W171	V31-T35 WeakPolarHBondContact O-CB 3.31Å; V31-T35 VanDerWaalsContact O-CG2 3.29Å; V31-T35 WeakPolarHBondContact O-CG2 3.34Å; V31-T35 PolarHBondContact O-N 3.25Å; V31-T35 PolarHBondContact O-OG1 3.04Å; L32-T35 PolarHBondContact O-N 2.91Å; L32-T35 PolarHBondContact O-OG1 3.3Å; T35-W43 WeakPolarHBondContact O-CH2 3.41Å; T35-M156 HydrophobicContact CG2-CE 4.43Å; T35-M156 HydrophobicContact CG2-SD 3.75Å; T35-L159 HydrophobicContact CG2-CD1 3.96Å; T35-V167 HydrophobicContact CG2-CG1 4.13Å; T35-V167 HydrophobicContact CG2-CG2 3.64Å; T35-W171 PolarHBondContact OG1-NE1 3.38Å; T35-W171 VanDerWaalsContact OG1-NE1 3.08Å
36	W	98	Very high	97	Very high	16 Å²	16	57.3 Å²	57.3	6%	0.061	30%	0.297	C	S	.	.			trans	-95.1	104.1	-177.4	-172.4	-112.4	0	0	0	112.9	L32 R38 W43 L44 V93 L96 V100 W171	L32-W36 VanDerWaalsContact O-CB 3.25Å; L32-W36 WeakPolarHBondContact O-CB 3.17Å; L32-W36 PolarHBondContact O-N 2.67Å; L32-W36 VanDerWaalsContact O-N 3.08Å; W36-R38 HydrophobicContact CG-CG 4.48Å; W36-R38 PolarHBondContact O-N 3.11Å; W36-R38 VanDerWaalsContact O-N 3.16Å; W36-W43 HydrophobicContact CD2-CZ3 4.36Å; W36-W43 AromaticContact CE3-CH2 3.85Å; W36-W43 HydrophobicContact CE3-CH2 3.85Å; W36-W43 AromaticContact CE3-CZ3 3.74Å; W36-W43 HydrophobicContact CE3-CZ3 3.74Å; W36-W43 HydrophobicContact CZ3-CH2 4.2Å; W36-W43 AromaticContact CZ3-CZ3 3.94Å; W36-W43 HydrophobicContact CZ3-CZ3 3.94Å; W36-L44 HydrophobicContact CH2-CD2 3.49Å; W36-L44 VanDerWaalsContact CH2-CD2 3.49Å; W36-L44 HydrophobicContact CZ2-CD2 3.41Å; W36-L44 VanDerWaalsContact CZ2-CD2 3.41Å; W36-L44 HydrophobicContact CZ3-CD2 4.08Å; W36-V93 HydrophobicContact CH2-CB 3.94Å; W36-V93 WeakPolarHBondContact CH2-O 3.38Å; W36-V93 WeakPolarHBondContact CZ2-O 3.47Å; W36-L96 HydrophobicContact CH2-CB 3.68Å; W36-L96 HydrophobicContact CH2-CD1 4.4Å; W36-L96 HydrophobicContact CZ2-CB 4.34Å; W36-L96 HydrophobicContact CZ3-CB 4.08Å; W36-L96 HydrophobicContact CZ3-CD1 4.32Å; W36-V100 HydrophobicContact CB-CG1 4.32Å; W36-V100 HydrophobicContact CB-CG2 4.32Å; W36-V100 HydrophobicContact CD2-CG2 4.28Å; W36-V100 HydrophobicContact CG-CB 4.46Å; W36-V100 HydrophobicContact CG-CG1 4.42Å; W36-V100 HydrophobicContact CG-CG2 4.06Å; W36-W171 HydrophobicContact CB-CZ2 4.41Å; W36-W171 HydrophobicContact CD2-CH2 4.14Å; W36-W171 AromaticContact CE3-CH2 3.36Å; W36-W171 HydrophobicContact CE3-CH2 3.36Å; W36-W171 AromaticContact CE3-CZ2 3.77Å; W36-W171 HydrophobicContact CE3-CZ2 3.77Å; W36-W171 HydrophobicContact CE3-CZ3 4.49Å; W36-W171 AromaticContact CZ3-CH2 3.71Å; W36-W171 HydrophobicContact CZ3-CH2 3.71Å; W36-W171 HydrophobicContact CZ3-CZ2 4.44Å; W36-W171 HydrophobicContact CZ3-CZ3 4.48Å
37	K	95.7	Very high	97	Very high	87 Å²	87	52.2 Å²	52.2	38%	0.378	27%	0.27	S	S	.	.			trans	-85.7	81.8	179.8	-56.4	-175.9	-176.3	176.2	0	111.9	D39 D40 W43	K37-D39 VanDerWaalsContact C-N 3.27Å; K37-D39 PolarHBondContact O-N 2.87Å; K37-D40 HydrophobicContact CB-CB 3.75Å; K37-D40 HydrophobicContact CD-CB 4.25Å; K37-D40 PolarHBondContact O-N 3.2Å; K37-W43 HydrophobicContact CB-CD2 4Å; K37-W43 HydrophobicContact CB-CE3 3.74Å; K37-W43 HydrophobicContact CB-CG 4.48Å; K37-W43 HydrophobicContact CB-CZ3 4.15Å; K37-W43 HydrophobicContact CD-CB 4.37Å; K37-W43 HydrophobicContact CD-CD2 3.94Å; K37-W43 HydrophobicContact CD-CG 3.84Å; K37-W43 HydrophobicContact CG-CD2 4.14Å; K37-W43 HydrophobicContact CG-CE3 4.29Å
38	R	93.2	Very high	97.1	Very high	73 Å²	73	47.3 Å²	47.3	28%	0.275	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-36.4	-173.7	-66	174.1	-160.9	-88.4	-6.3	115	W36 L44 V100 E101 E104	W36-R38 HydrophobicContact CG-CG 4.48Å; W36-R38 PolarHBondContact O-N 3.11Å; W36-R38 VanDerWaalsContact O-N 3.16Å; R38-L44 WeakPolarHBondContact O-CD1 3.28Å; R38-V100 VanDerWaalsContact NH2-CG1 3.29Å; R38-E101 IonicContact NH1-OE1 3.91Å; R38-E101 PolarHBondContact NH1-OE1 3.19Å; R38-E104 IonicContact CZ-OE1 2.8Å; R38-E104 IonicContact CZ-OE2 3.61Å; R38-E104 IonicContact NH1-OE2 2.82Å; R38-E104 IonicContact NH2-OE1 2.63Å; R38-E104 PolarHBondContact NH2-OE1 2.99Å; R38-E104 IonicContact NH2-OE2 2.73Å; R38-E104 PolarHBondContact NH2-OE2 3.45Å
39	D	94.1	Very high	97.1	Very high	148 Å²	148	47.2 Å²	47.2	79%	0.791	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.3	2.6	-172	-56.5	-50.4	0	0	0	113.1	K37 F41	K37-D39 VanDerWaalsContact C-N 3.27Å; K37-D39 PolarHBondContact O-N 2.87Å; D39-F41 PolarHBondContact O-N 3.09Å
40	D	96.8	Very high	97.1	Very high	62 Å²	62	48.3 Å²	48.3	33%	0.332	25%	0.252	S	S	.	.			trans	-96.8	85.9	179.1	-169.8	-19.2	0	0	0	109.9	K37 E42 W43 L44	K37-D40 HydrophobicContact CB-CB 3.75Å; K37-D40 HydrophobicContact CD-CB 4.25Å; K37-D40 PolarHBondContact O-N 3.2Å; D40-E42 VanDerWaalsContact C-N 3.3Å; D40-E42 PolarHBondContact O-N 2.85Å; D40-W43 HydrophobicContact CB-CB 3.8Å; D40-W43 PolarHBondContact O-N 2.92Å; D40-W43 WeakPolarHBondContact OD1-CB 3.46Å; D40-W43 PolarHBondContact OD1-N 2.98Å; D40-W43 WeakPolarHBondContact OD2-CB 3.27Å; D40-L44 WeakPolarHBondContact O-CB 3.25Å; D40-L44 VanDerWaalsContact O-CG 3.26Å; D40-L44 WeakPolarHBondContact O-CG 3.26Å; D40-L44 PolarHBondContact O-N 3.41Å
41	F	94.8	Very high	97.1	Very high	149 Å²	149	45 Å²	45	65%	0.654	23%	0.229	S	C	*	.	H	α-helix	trans	-62.2	-34.4	-175.2	-69.3	-80.8	0	0	0	113.9	D39 Y45	D39-F41 PolarHBondContact O-N 3.09Å; F41-Y45 WeakPolarHBondContact O-CB 3.01Å; F41-Y45 PolarHBondContact O-N 3.34Å
42	E	96.1	Very high	97.1	Very high	109 Å²	109	45 Å²	45	51%	0.509	23%	0.228	S	C	.	.	H	α-helix	trans	-71.9	-44.7	177.7	-66.9	-59.1	141.2	0	0	109.7	D40 L44 Y45 D46 R86	D40-E42 VanDerWaalsContact C-N 3.3Å; D40-E42 PolarHBondContact O-N 2.85Å; E42-L44 VanDerWaalsContact C-N 3.35Å; E42-L44 PolarHBondContact O-N 2.82Å; E42-Y45 WeakPolarHBondContact O-CB 3.32Å; E42-Y45 PolarHBondContact O-N 3.29Å; E42-Y45 VanDerWaalsContact O-N 3.13Å; E42-D46 PolarHBondContact O-N 3.47Å; E42-R86 IonicContact OE1-NH2 3.41Å; E42-R86 PolarHBondContact OE1-NH2 2.9Å
43	W	97.2	Very high	97.1	Very high	17 Å²	17	45.7 Å²	45.7	6%	0.064	23%	0.233	C	C	.	.	H	α-helix	trans	-60.2	-42.8	173.1	-178.4	87	0	0	0	112.7	T35 W36 K37 D40 Y45 D46 V47 M149 Q152	T35-W43 WeakPolarHBondContact O-CH2 3.41Å; W36-W43 HydrophobicContact CD2-CZ3 4.36Å; W36-W43 AromaticContact CE3-CH2 3.85Å; W36-W43 HydrophobicContact CE3-CH2 3.85Å; W36-W43 AromaticContact CE3-CZ3 3.74Å; W36-W43 HydrophobicContact CE3-CZ3 3.74Å; W36-W43 HydrophobicContact CZ3-CH2 4.2Å; W36-W43 AromaticContact CZ3-CZ3 3.94Å; W36-W43 HydrophobicContact CZ3-CZ3 3.94Å; K37-W43 HydrophobicContact CB-CD2 4Å; K37-W43 HydrophobicContact CB-CE3 3.74Å; K37-W43 HydrophobicContact CB-CG 4.48Å; K37-W43 HydrophobicContact CB-CZ3 4.15Å; K37-W43 HydrophobicContact CD-CB 4.37Å; K37-W43 HydrophobicContact CD-CD2 3.94Å; K37-W43 HydrophobicContact CD-CG 3.84Å; K37-W43 HydrophobicContact CG-CD2 4.14Å; K37-W43 HydrophobicContact CG-CE3 4.29Å; D40-W43 HydrophobicContact CB-CB 3.8Å; D40-W43 PolarHBondContact O-N 2.92Å; D40-W43 WeakPolarHBondContact OD1-CB 3.46Å; D40-W43 PolarHBondContact OD1-N 2.98Å; D40-W43 WeakPolarHBondContact OD2-CB 3.27Å; W43-Y45 VanDerWaalsContact C-N 3.28Å; W43-Y45 PolarHBondContact O-N 3.14Å; W43-D46 PolarHBondContact O-N 3.23Å; W43-V47 HydrophobicContact CD2-CG2 3.84Å; W43-V47 HydrophobicContact CE3-CG2 4.01Å; W43-V47 HydrophobicContact CH2-CG2 3.77Å; W43-V47 HydrophobicContact CZ2-CG2 3.56Å; W43-V47 HydrophobicContact CZ3-CG2 3.98Å; W43-V47 WeakPolarHBondContact O-CB 3.34Å; W43-V47 VanDerWaalsContact O-CG2 3.31Å; W43-V47 WeakPolarHBondContact O-CG2 3.17Å; W43-V47 PolarHBondContact O-N 3.26Å; W43-M149 HydrophobicContact CH2-CE 3.9Å; W43-M149 HydrophobicContact CH2-SD 4.38Å; W43-M149 HydrophobicContact CZ2-CE 4.03Å; W43-Q152 HydrophobicContact CZ2-CB 4.39Å; W43-Q152 HydrophobicContact CZ2-CG 4.16Å
44	L	98	Very high	97.1	Very high	17 Å²	17	44.7 Å²	44.7	9%	0.089	22%	0.223	C	C	.	.	H	α-helix	trans	-61.3	-40	175.7	-74.7	172.8	0	0	0	111.4	W36 R38 D40 E42 G48 V93	W36-L44 HydrophobicContact CH2-CD2 3.49Å; W36-L44 VanDerWaalsContact CH2-CD2 3.49Å; W36-L44 HydrophobicContact CZ2-CD2 3.41Å; W36-L44 VanDerWaalsContact CZ2-CD2 3.41Å; W36-L44 HydrophobicContact CZ3-CD2 4.08Å; R38-L44 WeakPolarHBondContact O-CD1 3.28Å; D40-L44 WeakPolarHBondContact O-CB 3.25Å; D40-L44 VanDerWaalsContact O-CG 3.26Å; D40-L44 WeakPolarHBondContact O-CG 3.26Å; D40-L44 PolarHBondContact O-N 3.41Å; E42-L44 VanDerWaalsContact C-N 3.35Å; E42-L44 PolarHBondContact O-N 2.82Å; L44-G48 PolarHBondContact O-N 2.91Å; L44-V93 HydrophobicContact CB-CG2 4.12Å; L44-V93 HydrophobicContact CD2-CB 4.34Å; L44-V93 HydrophobicContact CD2-CG2 4.43Å; L44-V93 WeakPolarHBondContact O-CG1 3.45Å
45	Y	97.5	Very high	97.1	Very high	27 Å²	27	42.5 Å²	42.5	11%	0.106	21%	0.205	C	C	.	.	H	α-helix	trans	-66.3	-44.2	175.6	-179.8	-123.1	0	0	0	112.1	F41 E42 W43 V47 G48 T49 K80 F85 R86 A89 L90	F41-Y45 WeakPolarHBondContact O-CB 3.01Å; F41-Y45 PolarHBondContact O-N 3.34Å; E42-Y45 WeakPolarHBondContact O-CB 3.32Å; E42-Y45 PolarHBondContact O-N 3.29Å; E42-Y45 VanDerWaalsContact O-N 3.13Å; W43-Y45 VanDerWaalsContact C-N 3.28Å; W43-Y45 PolarHBondContact O-N 3.14Å; Y45-V47 PolarHBondContact O-N 3.35Å; Y45-G48 PolarHBondContact O-N 2.75Å; Y45-T49 VanDerWaalsContact CE2-OG1 3.26Å; Y45-T49 WeakPolarHBondContact CE2-OG1 3.39Å; Y45-T49 WeakPolarHBondContact O-CB 3.3Å; Y45-T49 PolarHBondContact O-N 3.04Å; Y45-T49 PolarHBondContact O-OG1 3.37Å; Y45-K80 PolarHBondContact OH-O 3.32Å; Y45-F85 HydrophobicContact CE2-CE1 4.39Å; Y45-R86 HydrophobicContact CD2-CG 3.93Å; Y45-R86 HydrophobicContact CE2-CB 3.9Å; Y45-R86 HydrophobicContact CE2-CG 3.62Å; Y45-A89 HydrophobicContact CD2-CB 3.99Å; Y45-A89 HydrophobicContact CE2-CB 3.84Å; Y45-L90 HydrophobicContact CD2-CG 4.44Å
46	D	97.7	Very high	97.1	Very high	87 Å²	87	42.8 Å²	42.8	47%	0.465	21%	0.206	S	C	.	.	H	α-helix	trans	-63	-41.2	178	-75.8	-16	0	0	0	112.1	E42 W43 T49 T50	E42-D46 PolarHBondContact O-N 3.47Å; W43-D46 PolarHBondContact O-N 3.23Å; D46-T49 PolarHBondContact O-N 3.41Å; D46-T50 VanDerWaalsContact O-CB 3.31Å; D46-T50 WeakPolarHBondContact O-CB 3.42Å; D46-T50 PolarHBondContact O-N 3.2Å; D46-T50 PolarHBondContact O-OG1 3.47Å
47	V	98.3	Very high	97	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-60.8	-50.4	173.5	166.4	0	0	0	0	110.5	W43 Y45 T49 T50 I51 V93 T148 M149 Q152	W43-V47 HydrophobicContact CD2-CG2 3.84Å; W43-V47 HydrophobicContact CE3-CG2 4.01Å; W43-V47 HydrophobicContact CH2-CG2 3.77Å; W43-V47 HydrophobicContact CZ2-CG2 3.56Å; W43-V47 HydrophobicContact CZ3-CG2 3.98Å; W43-V47 WeakPolarHBondContact O-CB 3.34Å; W43-V47 VanDerWaalsContact O-CG2 3.31Å; W43-V47 WeakPolarHBondContact O-CG2 3.17Å; W43-V47 PolarHBondContact O-N 3.26Å; Y45-V47 PolarHBondContact O-N 3.35Å; V47-T49 VanDerWaalsContact C-N 3.28Å; V47-T49 PolarHBondContact O-N 2.93Å; V47-T50 PolarHBondContact O-N 3Å; V47-I51 HydrophobicContact CG1-CD1 3.68Å; V47-I51 WeakPolarHBondContact O-CD1 3.49Å; V47-I51 VanDerWaalsContact O-CG1 3.26Å; V47-I51 WeakPolarHBondContact O-CG1 3.19Å; V47-I51 PolarHBondContact O-N 3.29Å; V47-V93 HydrophobicContact CG1-CG1 4.13Å; V47-T148 HydrophobicContact CG1-CG2 4.21Å; V47-M149 HydrophobicContact CG1-SD 4.24Å; V47-Q152 HydrophobicContact CG2-CG 4.18Å
48	G	98.2	Very high	97	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-59.4	-41.1	177.7	0	0	0	0	0	112.3	L44 Y45 Y52	L44-G48 PolarHBondContact O-N 2.91Å; Y45-G48 PolarHBondContact O-N 2.75Å; G48-Y52 WeakPolarHBondContact O-CD2 3.46Å; G48-Y52 PolarHBondContact O-N 3.13Å; G48-Y52 VanDerWaalsContact O-N 3.12Å
49	T	98.3	Very high	97.1	Very high	12 Å²	12	46 Å²	46	7%	0.074	23%	0.231	C	C	.	.	H	α-helix	trans	-65.2	-44	177.6	-60.7	0	0	0	0	112.3	Y45 D46 V47 Y52 S53 K80 F85	Y45-T49 VanDerWaalsContact CE2-OG1 3.26Å; Y45-T49 WeakPolarHBondContact CE2-OG1 3.39Å; Y45-T49 WeakPolarHBondContact O-CB 3.3Å; Y45-T49 PolarHBondContact O-N 3.04Å; Y45-T49 PolarHBondContact O-OG1 3.37Å; D46-T49 PolarHBondContact O-N 3.41Å; V47-T49 VanDerWaalsContact C-N 3.28Å; V47-T49 PolarHBondContact O-N 2.93Å; T49-Y52 PolarHBondContact O-N 2.97Å; T49-S53 WeakPolarHBondContact O-CB 3.2Å; T49-S53 PolarHBondContact O-N 2.84Å; T49-S53 PolarHBondContact O-OG 2.86Å; T49-K80 HydrophobicContact CG2-CB 4.33Å; T49-K80 HydrophobicContact CG2-CD 3.65Å; T49-K80 HydrophobicContact CG2-CG 3.77Å; T49-F85 HydrophobicContact CG2-CE1 4.02Å
50	T	98.3	Very high	97.1	Very high	43 Å²	43	42.4 Å²	42.4	26%	0.264	22%	0.216	S	C	.	.	H	α-helix	trans	-65.4	-42.6	178.9	-58.5	0	0	0	0	111.2	D46 V47 S53 H54 T148	D46-T50 VanDerWaalsContact O-CB 3.31Å; D46-T50 WeakPolarHBondContact O-CB 3.42Å; D46-T50 PolarHBondContact O-N 3.2Å; D46-T50 PolarHBondContact O-OG1 3.47Å; V47-T50 PolarHBondContact O-N 3Å; T50-S53 WeakPolarHBondContact O-CB 3.39Å; T50-S53 PolarHBondContact O-N 3.27Å; T50-H54 PolarHBondContact O-N 3.34Å; T50-T148 HydrophobicContact CG2-CG2 3.87Å
51	I	98.5	Very high	97	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-60.5	-50.1	176.9	-69.5	164.4	0	0	0	110.6	V47 S53 H54 V55 F92 L96 A144 V145 T148	V47-I51 HydrophobicContact CG1-CD1 3.68Å; V47-I51 WeakPolarHBondContact O-CD1 3.49Å; V47-I51 VanDerWaalsContact O-CG1 3.26Å; V47-I51 WeakPolarHBondContact O-CG1 3.19Å; V47-I51 PolarHBondContact O-N 3.29Å; I51-S53 VanDerWaalsContact C-N 3.3Å; I51-S53 PolarHBondContact O-N 2.86Å; I51-H54 PolarHBondContact O-N 3.48Å; I51-V55 HydrophobicContact CG2-CG2 4.46Å; I51-V55 WeakPolarHBondContact O-CG2 3.32Å; I51-V55 PolarHBondContact O-N 2.93Å; I51-F92 HydrophobicContact CD1-CD1 4.33Å; I51-F92 HydrophobicContact CD1-CE1 3.88Å; I51-F92 HydrophobicContact CG2-CD1 4.39Å; I51-F92 HydrophobicContact CG2-CE1 3.75Å; I51-F92 HydrophobicContact CG2-CZ 4.01Å; I51-L96 HydrophobicContact CD1-CD1 3.96Å; I51-A144 HydrophobicContact CG2-CB 4.02Å; I51-V145 HydrophobicContact CD1-CG2 4.06Å; I51-V145 HydrophobicContact CG1-CG2 4.48Å; I51-V145 HydrophobicContact CG2-CG2 4.32Å; I51-T148 HydrophobicContact CD1-CG2 4.49Å; I51-T148 HydrophobicContact CG1-CG2 3.97Å; I51-T148 WeakPolarHBondContact CG1-OG1 3.47Å
52	Y	98.1	Very high	97	Very high	7 Å²	7	37.7 Å²	37.7	3%	0.027	19%	0.194	C	C	.	.	H	α-helix	trans	-64.6	-34.8	178.1	-89.5	-67.8	0	0	0	113	G48 T49 V55 F56 F66 F85 Q88 F92 F141	G48-Y52 WeakPolarHBondContact O-CD2 3.46Å; G48-Y52 PolarHBondContact O-N 3.13Å; G48-Y52 VanDerWaalsContact O-N 3.12Å; T49-Y52 PolarHBondContact O-N 2.97Å; Y52-V55 PolarHBondContact O-N 2.99Å; Y52-F56 HydrophobicContact CD1-CE1 4.38Å; Y52-F56 HydrophobicContact CD1-CE2 4.37Å; Y52-F56 AromaticContact CD1-CZ 3.96Å; Y52-F56 HydrophobicContact CD1-CZ 3.96Å; Y52-F56 WeakPolarHBondContact O-CB 3.43Å; Y52-F56 VanDerWaalsContact O-CD2 3.29Å; Y52-F56 WeakPolarHBondContact O-CD2 3.27Å; Y52-F56 VanDerWaalsContact O-CG 3.27Å; Y52-F56 WeakPolarHBondContact O-CG 3.29Å; Y52-F56 PolarHBondContact O-N 2.84Å; Y52-F66 HydrophobicContact CD1-CZ 4.47Å; Y52-F66 HydrophobicContact CE1-CE1 4.07Å; Y52-F66 HydrophobicContact CE1-CE2 4.4Å; Y52-F66 AromaticContact CE1-CZ 3.68Å; Y52-F66 HydrophobicContact CE1-CZ 3.68Å; Y52-F85 HydrophobicContact CD1-CE2 4.44Å; Y52-F85 AromaticContact CD2-CE2 3.76Å; Y52-F85 HydrophobicContact CD2-CE2 3.76Å; Y52-F85 AromaticContact CD2-CZ 3.94Å; Y52-F85 HydrophobicContact CD2-CZ 3.94Å; Y52-F85 AromaticContact CG-CE2 3.68Å; Y52-F85 HydrophobicContact CG-CE2 3.68Å; Y52-F85 HydrophobicContact CG-CZ 4.05Å; Y52-Q88 HydrophobicContact CE2-CG 3.93Å; Y52-Q88 WeakPolarHBondContact OH-CG 3.4Å; Y52-Q88 PolarHBondContact OH-NE2 3.3Å; Y52-F92 HydrophobicContact CE2-CB 3.9Å; Y52-F92 HydrophobicContact CE2-CD2 4.37Å; Y52-F92 HydrophobicContact CE2-CG 4.19Å; Y52-F141 AromaticContact CE1-CE1 3.99Å; Y52-F141 HydrophobicContact CE1-CE1 3.99Å; Y52-F141 HydrophobicContact CE1-CZ 4.49Å
53	S	97.9	Very high	97	Very high	14 Å²	14	34.7 Å²	34.7	10%	0.098	18%	0.179	C	C	.	.	H	α-helix	trans	-59.3	-48.9	174.1	-57.6	0	0	0	0	110.5	T49 T50 I51 V55 F56 E57 K80	T49-S53 WeakPolarHBondContact O-CB 3.2Å; T49-S53 PolarHBondContact O-N 2.84Å; T49-S53 PolarHBondContact O-OG 2.86Å; T50-S53 WeakPolarHBondContact O-CB 3.39Å; T50-S53 PolarHBondContact O-N 3.27Å; I51-S53 VanDerWaalsContact C-N 3.3Å; I51-S53 PolarHBondContact O-N 2.86Å; S53-V55 PolarHBondContact O-N 3.28Å; S53-F56 PolarHBondContact O-N 3.49Å; S53-E57 WeakPolarHBondContact O-CG 3.43Å; S53-E57 PolarHBondContact O-N 2.87Å; S53-K80 VanDerWaalsContact OG-CE 3.32Å; S53-K80 WeakPolarHBondContact OG-CE 3.37Å
54	H	97.8	Very high	96.9	Very high	23 Å²	23	38.2 Å²	38.2	11%	0.106	20%	0.202	C	C	.	.	H	α-helix	trans	-64.1	-38.3	175.5	-75.1	-38.1	0	0	0	113.2	T50 I51 F56 E57 L58 A144 K151	T50-H54 PolarHBondContact O-N 3.34Å; I51-H54 PolarHBondContact O-N 3.48Å; H54-F56 VanDerWaalsContact C-N 3.31Å; H54-F56 PolarHBondContact O-N 3.25Å; H54-E57 IonicContact CE1-OE2 3.86Å; H54-E57 IonicContact CG-OE2 2.82Å; H54-E57 IonicContact ND1-OE2 3.74Å; H54-E57 PolarHBondContact ND1-OE2 3.27Å; H54-E57 PolarHBondContact O-N 2.98Å; H54-L58 WeakPolarHBondContact O-CB 3.2Å; H54-L58 VanDerWaalsContact O-CG 3.26Å; H54-L58 WeakPolarHBondContact O-CG 3.49Å; H54-L58 PolarHBondContact O-N 3.44Å; H54-A144 HydrophobicContact CB-CB 3.71Å; H54-K151 PolarHBondContact NE2-NZ 3.3Å
55	V	97.4	Very high	96.7	Very high	2 Å²	2	39 Å²	39	1%	0.012	21%	0.205	C	C	.	.	H	α-helix	trans	-60.3	-43.1	174.3	168.2	0	0	0	0	111.1	I51 Y52 S53 L58 A59 L62 F141 A144	I51-V55 HydrophobicContact CG2-CG2 4.46Å; I51-V55 WeakPolarHBondContact O-CG2 3.32Å; I51-V55 PolarHBondContact O-N 2.93Å; Y52-V55 PolarHBondContact O-N 2.99Å; S53-V55 PolarHBondContact O-N 3.28Å; V55-L58 PolarHBondContact O-N 3.08Å; V55-A59 PolarHBondContact O-N 3.41Å; V55-L62 HydrophobicContact CG1-CD1 3.59Å; V55-F141 HydrophobicContact CG1-CE1 4.08Å; V55-F141 HydrophobicContact CG1-CE2 4.13Å; V55-F141 HydrophobicContact CG1-CZ 3.86Å; V55-F141 HydrophobicContact CG2-CD1 3.64Å; V55-F141 HydrophobicContact CG2-CD2 4.45Å; V55-F141 HydrophobicContact CG2-CE1 3.87Å; V55-F141 HydrophobicContact CG2-CG 3.98Å; V55-F141 HydrophobicContact CG2-CZ 4.39Å; V55-A144 HydrophobicContact CG2-CB 3.79Å
56	F	96.9	Very high	96.6	Very high	6 Å²	6	38.8 Å²	38.8	3%	0.026	21%	0.205	C	C	.	.	H	α-helix	trans	-75.7	-22.1	178.8	-65.7	-27.6	0	0	0	114.1	Y52 S53 H54 P60 L62 K63 F66 V69 W79	Y52-F56 HydrophobicContact CD1-CE1 4.38Å; Y52-F56 HydrophobicContact CD1-CE2 4.37Å; Y52-F56 AromaticContact CD1-CZ 3.96Å; Y52-F56 HydrophobicContact CD1-CZ 3.96Å; Y52-F56 WeakPolarHBondContact O-CB 3.43Å; Y52-F56 VanDerWaalsContact O-CD2 3.29Å; Y52-F56 WeakPolarHBondContact O-CD2 3.27Å; Y52-F56 VanDerWaalsContact O-CG 3.27Å; Y52-F56 WeakPolarHBondContact O-CG 3.29Å; Y52-F56 PolarHBondContact O-N 2.84Å; S53-F56 PolarHBondContact O-N 3.49Å; H54-F56 VanDerWaalsContact C-N 3.31Å; H54-F56 PolarHBondContact O-N 3.25Å; F56-P60 WeakPolarHBondContact O-CA 3.16Å; F56-P60 WeakPolarHBondContact O-CG 3.44Å; F56-L62 HydrophobicContact CD1-CB 4.28Å; F56-L62 HydrophobicContact CE1-CB 4.29Å; F56-K63 HydrophobicContact CB-CG 4.13Å; F56-K63 HydrophobicContact CD1-CG 3.64Å; F56-K63 HydrophobicContact CD2-CG 4.09Å; F56-K63 HydrophobicContact CE1-CG 4.02Å; F56-K63 HydrophobicContact CE2-CG 4.44Å; F56-K63 HydrophobicContact CG-CD 4.44Å; F56-K63 HydrophobicContact CG-CG 3.69Å; F56-K63 HydrophobicContact CZ-CG 4.42Å; F56-F66 AromaticContact CE1-CD2 3.52Å; F56-F66 HydrophobicContact CE1-CD2 3.52Å; F56-F66 AromaticContact CE1-CE2 3.51Å; F56-F66 HydrophobicContact CE1-CE2 3.51Å; F56-F66 AromaticContact CZ-CD2 3.4Å; F56-F66 HydrophobicContact CZ-CD2 3.4Å; F56-F66 AromaticContact CZ-CE2 3.67Å; F56-F66 HydrophobicContact CZ-CE2 3.67Å; F56-F66 HydrophobicContact CZ-CG 4.02Å; F56-F66 HydrophobicContact CZ-CZ 4.45Å; F56-V69 HydrophobicContact CE2-CG1 4.41Å; F56-V69 HydrophobicContact CE2-CG2 3.96Å; F56-V69 HydrophobicContact CZ-CG2 4.23Å; F56-W79 AromaticContact CD2-CH2 3.93Å; F56-W79 HydrophobicContact CD2-CH2 3.93Å; F56-W79 AromaticContact CD2-CZ2 3.94Å; F56-W79 HydrophobicContact CD2-CZ2 3.94Å; F56-W79 HydrophobicContact CD2-CZ3 4.5Å; F56-W79 HydrophobicContact CE2-CH2 4.1Å; F56-W79 HydrophobicContact CE2-CZ2 4.41Å; F56-W79 HydrophobicContact CE2-CZ3 4.23Å
57	E	96.5	Very high	96.6	Very high	132 Å²	132	38.3 Å²	38.3	62%	0.617	21%	0.206	S	C	*	.	H	α-helix	trans	-72.2	-42.6	168.3	-73.5	164.4	-176.3	0	0	111.1	S53 H54	S53-E57 WeakPolarHBondContact O-CG 3.43Å; S53-E57 PolarHBondContact O-N 2.87Å; H54-E57 IonicContact CE1-OE2 3.86Å; H54-E57 IonicContact CG-OE2 2.82Å; H54-E57 IonicContact ND1-OE2 3.74Å; H54-E57 PolarHBondContact ND1-OE2 3.27Å; H54-E57 PolarHBondContact O-N 2.98Å
58	L	95	Very high	96.4	Very high	98 Å²	98	40.2 Å²	40.2	51%	0.513	21%	0.214	S	C	.	.	H	α-helix	trans	-73	-35.1	-179.9	-69.8	170.7	0	0	0	112.9	H54 V55 T143	H54-L58 WeakPolarHBondContact O-CB 3.2Å; H54-L58 VanDerWaalsContact O-CG 3.26Å; H54-L58 WeakPolarHBondContact O-CG 3.49Å; H54-L58 PolarHBondContact O-N 3.44Å; V55-L58 PolarHBondContact O-N 3.08Å; L58-T143 HydrophobicContact CD1-CG2 4.14Å
59	A	94.8	Very high	96.4	Very high	12 Å²	12	40.2 Å²	40.2	10%	0.099	21%	0.214	C	C	.	.			trans	-143.6	75.7	-177	0	0	0	0	0	110.6	V55 E61 L62	V55-A59 PolarHBondContact O-N 3.41Å; A59-E61 WeakPolarHBondContact CA-OE2 3.29Å; A59-E61 WeakPolarHBondContact CB-OE1 3.45Å; A59-E61 PolarHBondContact O-N 3.03Å; A59-E61 VanDerWaalsContact O-N 3.14Å; A59-L62 HydrophobicContact CB-CD1 3.66Å; A59-L62 HydrophobicContact CB-CG 3.78Å; A59-L62 VanDerWaalsContact O-CB 3.3Å; A59-L62 WeakPolarHBondContact O-CB 3.34Å; A59-L62 WeakPolarHBondContact O-CG 3.41Å; A59-L62 PolarHBondContact O-N 2.95Å
60	P	95.2	Very high	96.3	Very high	73 Å²	73	41.5 Å²	41.5	47%	0.474	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-56.5	-29.6	-177.6	-24.1	32.9	0	0	0	114.1	F56 L62 K63	F56-P60 WeakPolarHBondContact O-CA 3.16Å; F56-P60 WeakPolarHBondContact O-CG 3.44Å; P60-L62 PolarHBondContact O-N 3.4Å; P60-L62 VanDerWaalsContact O-N 3.17Å; P60-K63 WeakPolarHBondContact O-CB 3.48Å; P60-K63 WeakPolarHBondContact O-CG 3.26Å; P60-K63 PolarHBondContact O-N 3.44Å; P60-K63 VanDerWaalsContact O-N 3.09Å
61	E	94.2	Very high	96.2	Very high	110 Å²	110	45.3 Å²	45.3	51%	0.514	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-59.5	-23.6	176	70.1	-78.8	-173.6	0	0	113	A59 K63 V64 H137	A59-E61 WeakPolarHBondContact CA-OE2 3.29Å; A59-E61 WeakPolarHBondContact CB-OE1 3.45Å; A59-E61 PolarHBondContact O-N 3.03Å; A59-E61 VanDerWaalsContact O-N 3.14Å; E61-K63 PolarHBondContact O-N 2.89Å; E61-V64 VanDerWaalsContact O-CG1 3.25Å; E61-V64 WeakPolarHBondContact O-CG1 3.48Å; E61-V64 PolarHBondContact O-N 3Å; E61-H137 IonicContact OE1-NE2 3.12Å
62	L	95.5	Very high	96.2	Very high	3 Å²	3	48.4 Å²	48.4	2%	0.016	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-66.6	-19	176.6	-66.4	-179.2	0	0	0	113.1	V55 F56 A59 P60 V64 F65 F66 F133 H137 F141	V55-L62 HydrophobicContact CG1-CD1 3.59Å; F56-L62 HydrophobicContact CD1-CB 4.28Å; F56-L62 HydrophobicContact CE1-CB 4.29Å; A59-L62 HydrophobicContact CB-CD1 3.66Å; A59-L62 HydrophobicContact CB-CG 3.78Å; A59-L62 VanDerWaalsContact O-CB 3.3Å; A59-L62 WeakPolarHBondContact O-CB 3.34Å; A59-L62 WeakPolarHBondContact O-CG 3.41Å; A59-L62 PolarHBondContact O-N 2.95Å; P60-L62 PolarHBondContact O-N 3.4Å; P60-L62 VanDerWaalsContact O-N 3.17Å; L62-V64 PolarHBondContact O-N 2.9Å; L62-V64 VanDerWaalsContact O-N 3.1Å; L62-F65 HydrophobicContact CB-CD2 4.32Å; L62-F65 HydrophobicContact CD2-CD2 3.88Å; L62-F65 HydrophobicContact CD2-CE2 3.61Å; L62-F65 WeakPolarHBondContact O-CD2 3.33Å; L62-F65 PolarHBondContact O-N 3.26Å; L62-F65 VanDerWaalsContact O-N 3.1Å; L62-F66 WeakPolarHBondContact O-CD2 3.48Å; L62-F66 WeakPolarHBondContact O-CE2 3.4Å; L62-F133 HydrophobicContact CD2-CD2 4.21Å; L62-H137 HydrophobicContact CD1-CB 4.13Å; L62-H137 HydrophobicContact CD2-CB 4.12Å; L62-H137 WeakPolarHBondContact CD2-ND1 3.38Å; L62-F141 HydrophobicContact CD1-CE2 4.37Å
63	K	95.5	Very high	96	Very high	46 Å²	46	51.9 Å²	51.9	20%	0.2	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-57.7	-27.2	177.5	-67.9	-178.2	-176.1	-179.7	0	112.5	F56 P60 E61 F65 F66 V69 V70 E73	F56-K63 HydrophobicContact CB-CG 4.13Å; F56-K63 HydrophobicContact CD1-CG 3.64Å; F56-K63 HydrophobicContact CD2-CG 4.09Å; F56-K63 HydrophobicContact CE1-CG 4.02Å; F56-K63 HydrophobicContact CE2-CG 4.44Å; F56-K63 HydrophobicContact CG-CD 4.44Å; F56-K63 HydrophobicContact CG-CG 3.69Å; F56-K63 HydrophobicContact CZ-CG 4.42Å; P60-K63 WeakPolarHBondContact O-CB 3.48Å; P60-K63 WeakPolarHBondContact O-CG 3.26Å; P60-K63 PolarHBondContact O-N 3.44Å; P60-K63 VanDerWaalsContact O-N 3.09Å; E61-K63 PolarHBondContact O-N 2.89Å; K63-F65 PolarHBondContact O-N 3.05Å; K63-F65 VanDerWaalsContact O-N 3.13Å; K63-F66 PolarHBondContact O-N 3.33Å; K63-V69 HydrophobicContact CB-CG1 4.15Å; K63-V69 HydrophobicContact CD-CG1 4Å; K63-V69 HydrophobicContact CG-CG1 4.01Å; K63-V70 WeakPolarHBondContact O-CG2 3.37Å; K63-E73 WeakPolarHBondContact CE-OE1 3.31Å; K63-E73 IonicContact NZ-OE1 2.66Å; K63-E73 PolarHBondContact NZ-OE1 3.26Å; K63-E73 IonicContact NZ-OE2 3.85Å
64	V	94.6	Very high	96	Very high	91 Å²	91	59.5 Å²	59.5	55%	0.552	30%	0.297	S	S	*	.	G	3₁₀ helix	trans	-61.3	-22.8	179	78.9	0	0	0	0	113.6	E61 L62 F66	E61-V64 VanDerWaalsContact O-CG1 3.25Å; E61-V64 WeakPolarHBondContact O-CG1 3.48Å; E61-V64 PolarHBondContact O-N 3Å; L62-V64 PolarHBondContact O-N 2.9Å; L62-V64 VanDerWaalsContact O-N 3.1Å; V64-F66 PolarHBondContact O-N 3.27Å
65	F	95.2	Very high	95.9	Very high	32 Å²	32	61.4 Å²	61.4	14%	0.14	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-76.8	-8	176.1	-59	-72.1	0	0	0	113	L62 K63 P67 F128 K131 F133	L62-F65 HydrophobicContact CB-CD2 4.32Å; L62-F65 HydrophobicContact CD2-CD2 3.88Å; L62-F65 HydrophobicContact CD2-CE2 3.61Å; L62-F65 WeakPolarHBondContact O-CD2 3.33Å; L62-F65 PolarHBondContact O-N 3.26Å; L62-F65 VanDerWaalsContact O-N 3.1Å; K63-F65 PolarHBondContact O-N 3.05Å; K63-F65 VanDerWaalsContact O-N 3.13Å; F65-P67 WeakPolarHBondContact O-CD 3.29Å; F65-F128 HydrophobicContact CD1-CB 3.94Å; F65-F128 HydrophobicContact CD1-CD1 4.1Å; F65-F128 HydrophobicContact CD1-CG 4.18Å; F65-F128 HydrophobicContact CE1-CB 3.8Å; F65-K131 HydrophobicContact CD1-CB 4.33Å; F65-K131 HydrophobicContact CE1-CB 3.54Å; F65-K131 HydrophobicContact CZ-CB 4.29Å; F65-K131 WeakPolarHBondContact CZ-O 3.48Å; F65-F133 HydrophobicContact CE1-CB 3.95Å; F65-F133 HydrophobicContact CE2-CB 4.32Å; F65-F133 HydrophobicContact CE2-CD2 4.4Å; F65-F133 HydrophobicContact CZ-CB 3.72Å
66	F	95.7	Very high	95.9	Very high	24 Å²	24	64.8 Å²	64.8	11%	0.105	35%	0.352	C	S	.	.			trans	-123.7	85.3	-173.1	-54.7	-76.2	0	0	0	109.6	Y52 F56 L62 K63 V64 Y68 V69 V70 Q88	Y52-F66 HydrophobicContact CD1-CZ 4.47Å; Y52-F66 HydrophobicContact CE1-CE1 4.07Å; Y52-F66 HydrophobicContact CE1-CE2 4.4Å; Y52-F66 AromaticContact CE1-CZ 3.68Å; Y52-F66 HydrophobicContact CE1-CZ 3.68Å; F56-F66 AromaticContact CE1-CD2 3.52Å; F56-F66 HydrophobicContact CE1-CD2 3.52Å; F56-F66 AromaticContact CE1-CE2 3.51Å; F56-F66 HydrophobicContact CE1-CE2 3.51Å; F56-F66 AromaticContact CZ-CD2 3.4Å; F56-F66 HydrophobicContact CZ-CD2 3.4Å; F56-F66 AromaticContact CZ-CE2 3.67Å; F56-F66 HydrophobicContact CZ-CE2 3.67Å; F56-F66 HydrophobicContact CZ-CG 4.02Å; F56-F66 HydrophobicContact CZ-CZ 4.45Å; L62-F66 WeakPolarHBondContact O-CD2 3.48Å; L62-F66 WeakPolarHBondContact O-CE2 3.4Å; K63-F66 PolarHBondContact O-N 3.33Å; V64-F66 PolarHBondContact O-N 3.27Å; F66-Y68 HydrophobicContact CB-CD2 4.32Å; F66-Y68 HydrophobicContact CB-CE2 3.74Å; F66-Y68 HydrophobicContact CD1-CE2 4.19Å; F66-Y68 AromaticContact CD1-CZ 3.78Å; F66-Y68 WeakPolarHBondContact CD1-OH 3.49Å; F66-Y68 HydrophobicContact CG-CE2 4.36Å; F66-Y68 PolarHBondContact O-N 2.76Å; F66-Y68 VanDerWaalsContact O-N 3.11Å; F66-V69 HydrophobicContact CB-CB 4.04Å; F66-V69 HydrophobicContact CB-CG2 3.66Å; F66-V69 WeakPolarHBondContact O-CB 3.34Å; F66-V69 PolarHBondContact O-N 3.28Å; F66-V70 PolarHBondContact O-N 3.36Å; F66-Q88 HydrophobicContact CD1-CG 4.46Å; F66-Q88 HydrophobicContact CE1-CG 4.02Å
67	P	95.8	Very high	95.9	Very high	76 Å²	76	70.6 Å²	70.6	49%	0.494	38%	0.377	S	S	.	.	H	α-helix	trans	-52.2	-40.1	-175.5	-28.8	35.2	0	0	0	113.3	F65 V69 V70 E71	F65-P67 WeakPolarHBondContact O-CD 3.29Å; P67-V69 VanDerWaalsContact C-N 3.26Å; P67-V69 PolarHBondContact O-N 2.82Å; P67-V70 PolarHBondContact O-N 2.96Å; P67-E71 WeakPolarHBondContact O-CB 3.26Å; P67-E71 VanDerWaalsContact O-CG 3.28Å; P67-E71 WeakPolarHBondContact O-CG 3.48Å; P67-E71 PolarHBondContact O-N 3.36Å
68	Y	95.5	Very high	95.9	Very high	40 Å²	40	67.9 Å²	67.9	16%	0.157	37%	0.366	C	S	.	.	H	α-helix	trans	-66.1	-22.7	178.2	49.1	-106.7	0	0	0	114.6	F66 Y72 S82 F85 Q88	F66-Y68 HydrophobicContact CB-CD2 4.32Å; F66-Y68 HydrophobicContact CB-CE2 3.74Å; F66-Y68 HydrophobicContact CD1-CE2 4.19Å; F66-Y68 AromaticContact CD1-CZ 3.78Å; F66-Y68 WeakPolarHBondContact CD1-OH 3.49Å; F66-Y68 HydrophobicContact CG-CE2 4.36Å; F66-Y68 PolarHBondContact O-N 2.76Å; F66-Y68 VanDerWaalsContact O-N 3.11Å; Y68-Y72 WeakPolarHBondContact O-CD2 3.35Å; Y68-Y72 PolarHBondContact O-N 3.15Å; Y68-S82 VanDerWaalsContact CB-OG 3.31Å; Y68-S82 WeakPolarHBondContact CB-OG 3.33Å; Y68-F85 HydrophobicContact CD2-CB 3.63Å; Y68-F85 HydrophobicContact CE2-CB 3.56Å; Y68-F85 AromaticContact CE2-CD2 3.89Å; Y68-F85 HydrophobicContact CE2-CD2 3.89Å; Y68-F85 HydrophobicContact CE2-CG 4.23Å; Y68-Q88 WeakPolarHBondContact OH-CB 3.26Å; Y68-Q88 VanDerWaalsContact OH-CG 3.28Å; Y68-Q88 WeakPolarHBondContact OH-CG 3.44Å
69	V	96.9	Very high	96	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-74	-51.6	171.5	174.6	0	0	0	0	108.9	F56 K63 F66 P67 E71 Y72 E73 W79 F85	F56-V69 HydrophobicContact CE2-CG1 4.41Å; F56-V69 HydrophobicContact CE2-CG2 3.96Å; F56-V69 HydrophobicContact CZ-CG2 4.23Å; K63-V69 HydrophobicContact CB-CG1 4.15Å; K63-V69 HydrophobicContact CD-CG1 4Å; K63-V69 HydrophobicContact CG-CG1 4.01Å; F66-V69 HydrophobicContact CB-CB 4.04Å; F66-V69 HydrophobicContact CB-CG2 3.66Å; F66-V69 WeakPolarHBondContact O-CB 3.34Å; F66-V69 PolarHBondContact O-N 3.28Å; P67-V69 VanDerWaalsContact C-N 3.26Å; P67-V69 PolarHBondContact O-N 2.82Å; V69-E71 VanDerWaalsContact C-N 3.32Å; V69-E71 PolarHBondContact O-N 3.12Å; V69-Y72 PolarHBondContact O-N 3.02Å; V69-E73 HydrophobicContact CG1-CG 4.45Å; V69-E73 WeakPolarHBondContact O-CG 3.18Å; V69-E73 PolarHBondContact O-N 3.29Å; V69-W79 HydrophobicContact CB-CB 4.25Å; V69-W79 HydrophobicContact CB-CG 4.39Å; V69-W79 HydrophobicContact CG1-CB 4.13Å; V69-W79 HydrophobicContact CG1-CD2 4.14Å; V69-W79 HydrophobicContact CG1-CG 3.82Å; V69-W79 HydrophobicContact CG2-CB 4.28Å; V69-W79 HydrophobicContact CG2-CD2 4.22Å; V69-W79 HydrophobicContact CG2-CE3 4.08Å; V69-W79 HydrophobicContact CG2-CG 4.33Å; V69-F85 HydrophobicContact CG2-CD2 4.38Å
70	V	96.4	Very high	96.1	Very high	40 Å²	40	67.4 Å²	67.4	24%	0.242	36%	0.357	C	S	.	.	H	α-helix	trans	-59.3	-41.9	-178.9	174.2	0	0	0	0	111.8	K63 F66 P67 K74	K63-V70 WeakPolarHBondContact O-CG2 3.37Å; F66-V70 PolarHBondContact O-N 3.36Å; P67-V70 PolarHBondContact O-N 2.96Å; V70-K74 HydrophobicContact CG1-CD 4.16Å; V70-K74 WeakPolarHBondContact O-CB 3.48Å; V70-K74 VanDerWaalsContact O-CG 3.28Å; V70-K74 WeakPolarHBondContact O-CG 3.26Å; V70-K74 PolarHBondContact O-N 3.22Å; V70-K74 VanDerWaalsContact O-N 3.08Å
71	E	96.8	Very high	96.1	Very high	122 Å²	122	70.9 Å²	70.9	57%	0.57	37%	0.367	S	S	*	.	H	α-helix	trans	-64.6	-42.4	179.1	-75.3	168.3	-169.3	0	0	112.4	P67 V69 A75	P67-E71 WeakPolarHBondContact O-CB 3.26Å; P67-E71 VanDerWaalsContact O-CG 3.28Å; P67-E71 WeakPolarHBondContact O-CG 3.48Å; P67-E71 PolarHBondContact O-N 3.36Å; V69-E71 VanDerWaalsContact C-N 3.32Å; V69-E71 PolarHBondContact O-N 3.12Å; E71-A75 WeakPolarHBondContact O-CB 3.34Å; E71-A75 PolarHBondContact O-N 3.05Å
72	Y	97.6	Very high	96.2	Very high	65 Å²	65	65.9 Å²	65.9	26%	0.255	35%	0.345	S	S	.	.	H	α-helix	trans	-70.7	-42.7	179.4	-88.4	-117.9	0	0	0	111.7	Y68 V69 K74 A75 G76 K77 D78 W79 E81	Y68-Y72 WeakPolarHBondContact O-CD2 3.35Å; Y68-Y72 PolarHBondContact O-N 3.15Å; V69-Y72 PolarHBondContact O-N 3.02Å; Y72-K74 VanDerWaalsContact C-N 3.33Å; Y72-K74 PolarHBondContact O-N 3.28Å; Y72-A75 CarbonylContact O-C 3.53Å; Y72-A75 WeakPolarHBondContact O-CA 3.34Å; Y72-A75 PolarHBondContact O-N 2.86Å; Y72-G76 PolarHBondContact O-N 3.42Å; Y72-G76 VanDerWaalsContact O-N 3.12Å; Y72-K77 CarbonylContact C-O 3.58Å; Y72-K77 HydrophobicContact CD1-CB 3.62Å; Y72-K77 HydrophobicContact CD1-CD 4.4Å; Y72-K77 HydrophobicContact CE1-CB 4.36Å; Y72-K77 HydrophobicContact CE1-CD 4.49Å; Y72-K77 HydrophobicContact CG-CB 4.24Å; Y72-K77 PolarHBondContact O-N 3.42Å; Y72-D78 WeakPolarHBondContact CD1-O 3.44Å; Y72-W79 HydrophobicContact CG-CB 4.41Å; Y72-E81 HydrophobicContact CE1-CB 4.24Å
73	E	95.8	Very high	96.2	Very high	81 Å²	81	74.2 Å²	74.2	38%	0.379	38%	0.381	S	S	.	.	H	α-helix	trans	-60.2	-42.8	175.9	-72.1	-172.8	153.4	0	0	111.7	K63 V69 A75 G76	K63-E73 WeakPolarHBondContact CE-OE1 3.31Å; K63-E73 IonicContact NZ-OE1 2.66Å; K63-E73 PolarHBondContact NZ-OE1 3.26Å; K63-E73 IonicContact NZ-OE2 3.85Å; V69-E73 HydrophobicContact CG1-CG 4.45Å; V69-E73 WeakPolarHBondContact O-CG 3.18Å; V69-E73 PolarHBondContact O-N 3.29Å; E73-A75 PolarHBondContact O-N 3.37Å; E73-G76 PolarHBondContact O-N 3.08Å
74	K	96.3	Very high	96.3	Very high	174 Å²	174	73.3 Å²	73.3	76%	0.757	38%	0.384	S	S	*	.	H	α-helix	trans	-62	-30.6	174.7	-76.7	176.3	-180	179.8	0	113.2	V70 Y72 G76	V70-K74 HydrophobicContact CG1-CD 4.16Å; V70-K74 WeakPolarHBondContact O-CB 3.48Å; V70-K74 VanDerWaalsContact O-CG 3.28Å; V70-K74 WeakPolarHBondContact O-CG 3.26Å; V70-K74 PolarHBondContact O-N 3.22Å; V70-K74 VanDerWaalsContact O-N 3.08Å; Y72-K74 VanDerWaalsContact C-N 3.33Å; Y72-K74 PolarHBondContact O-N 3.28Å; K74-G76 VanDerWaalsContact C-N 3.32Å
75	A	96.8	Very high	96.4	Very high	62 Å²	62	69 Å²	69	51%	0.512	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	1.3	177.2	0	0	0	0	0	113.5	E71 Y72 E73 K77	E71-A75 WeakPolarHBondContact O-CB 3.34Å; E71-A75 PolarHBondContact O-N 3.05Å; Y72-A75 CarbonylContact O-C 3.53Å; Y72-A75 WeakPolarHBondContact O-CA 3.34Å; Y72-A75 PolarHBondContact O-N 2.86Å; E73-A75 PolarHBondContact O-N 3.37Å; A75-K77 VanDerWaalsContact C-N 3.25Å; A75-K77 HydrophobicContact CB-CD 4.22Å; A75-K77 HydrophobicContact CB-CG 4.1Å; A75-K77 PolarHBondContact O-N 3.5Å
76	G	96.8	Very high	96.5	Very high	74 Å²	74	72.7 Å²	72.7	76%	0.763	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.9	26.2	-175	0	0	0	0	0	113.7	Y72 E73 K74	Y72-G76 PolarHBondContact O-N 3.42Å; Y72-G76 VanDerWaalsContact O-N 3.12Å; E73-G76 PolarHBondContact O-N 3.08Å; K74-G76 VanDerWaalsContact C-N 3.32Å
77	K	97.1	Very high	96.6	Very high	127 Å²	127	74.3 Å²	74.3	55%	0.552	38%	0.383	S	S	*	.	S	Bend	trans	-106.6	157.5	-179.3	-63.2	-176.3	179.1	-176.2	0	111.2	Y72 A75 W79	Y72-K77 CarbonylContact C-O 3.58Å; Y72-K77 HydrophobicContact CD1-CB 3.62Å; Y72-K77 HydrophobicContact CD1-CD 4.4Å; Y72-K77 HydrophobicContact CE1-CB 4.36Å; Y72-K77 HydrophobicContact CE1-CD 4.49Å; Y72-K77 HydrophobicContact CG-CB 4.24Å; Y72-K77 PolarHBondContact O-N 3.42Å; A75-K77 VanDerWaalsContact C-N 3.25Å; A75-K77 HydrophobicContact CB-CD 4.22Å; A75-K77 HydrophobicContact CB-CG 4.1Å; A75-K77 PolarHBondContact O-N 3.5Å; K77-W79 PolarHBondContact O-N 3.01Å
78	D	96.9	Very high	96.7	Very high	75 Å²	75	73 Å²	73	40%	0.401	37%	0.37	S	S	.	.			trans	-74.9	111.7	172.5	-171.8	-6.1	0	0	0	110.3	Y72 K80 E81	Y72-D78 WeakPolarHBondContact CD1-O 3.44Å; D78-K80 PolarHBondContact O-N 3.19Å; D78-K80 VanDerWaalsContact O-N 3.11Å; D78-K80 VanDerWaalsContact OD1-CB 3.27Å; D78-K80 WeakPolarHBondContact OD1-CB 3.45Å; D78-K80 VanDerWaalsContact OD1-CG 3.26Å; D78-K80 WeakPolarHBondContact OD1-CG 3.47Å; D78-K80 PolarHBondContact OD1-N 2.76Å; D78-E81 HydrophobicContact CB-CG 4.25Å; D78-E81 WeakPolarHBondContact O-CB 3.36Å; D78-E81 PolarHBondContact O-N 3.39Å
79	W	97	Very high	96.8	Very high	25 Å²	25	71.1 Å²	71.1	10%	0.095	36%	0.363	C	S	.	.	G	3₁₀ helix	trans	-61.3	-18.4	178.2	54.7	-97.5	0	0	0	113.5	F56 V69 Y72 K77 E81 S82 F85	F56-W79 AromaticContact CD2-CH2 3.93Å; F56-W79 HydrophobicContact CD2-CH2 3.93Å; F56-W79 AromaticContact CD2-CZ2 3.94Å; F56-W79 HydrophobicContact CD2-CZ2 3.94Å; F56-W79 HydrophobicContact CD2-CZ3 4.5Å; F56-W79 HydrophobicContact CE2-CH2 4.1Å; F56-W79 HydrophobicContact CE2-CZ2 4.41Å; F56-W79 HydrophobicContact CE2-CZ3 4.23Å; V69-W79 HydrophobicContact CB-CB 4.25Å; V69-W79 HydrophobicContact CB-CG 4.39Å; V69-W79 HydrophobicContact CG1-CB 4.13Å; V69-W79 HydrophobicContact CG1-CD2 4.14Å; V69-W79 HydrophobicContact CG1-CG 3.82Å; V69-W79 HydrophobicContact CG2-CB 4.28Å; V69-W79 HydrophobicContact CG2-CD2 4.22Å; V69-W79 HydrophobicContact CG2-CE3 4.08Å; V69-W79 HydrophobicContact CG2-CG 4.33Å; Y72-W79 HydrophobicContact CG-CB 4.41Å; K77-W79 PolarHBondContact O-N 3.01Å; W79-E81 PolarHBondContact O-N 3.08Å; W79-S82 WeakPolarHBondContact O-CB 3.31Å; W79-S82 PolarHBondContact O-N 3.36Å; W79-F85 AromaticContact CE3-CD1 3.91Å; W79-F85 HydrophobicContact CE3-CD1 3.91Å; W79-F85 AromaticContact CE3-CD2 3.79Å; W79-F85 HydrophobicContact CE3-CD2 3.79Å; W79-F85 HydrophobicContact CE3-CE1 4.17Å; W79-F85 HydrophobicContact CE3-CE2 4.07Å; W79-F85 AromaticContact CE3-CG 3.75Å; W79-F85 HydrophobicContact CE3-CG 3.75Å; W79-F85 HydrophobicContact CE3-CZ 4.28Å; W79-F85 HydrophobicContact CH2-CE2 4.39Å; W79-F85 HydrophobicContact CH2-CZ 4.27Å; W79-F85 AromaticContact CZ3-CD1 3.8Å; W79-F85 HydrophobicContact CZ3-CD1 3.8Å; W79-F85 AromaticContact CZ3-CD2 3.67Å; W79-F85 HydrophobicContact CZ3-CD2 3.67Å; W79-F85 AromaticContact CZ3-CE1 3.57Å; W79-F85 HydrophobicContact CZ3-CE1 3.57Å; W79-F85 AromaticContact CZ3-CE2 3.44Å; W79-F85 HydrophobicContact CZ3-CE2 3.44Å; W79-F85 VanDerWaalsContact CZ3-CE2 3.44Å; W79-F85 AromaticContact CZ3-CG 3.88Å; W79-F85 HydrophobicContact CZ3-CG 3.88Å; W79-F85 AromaticContact CZ3-CZ 3.42Å; W79-F85 HydrophobicContact CZ3-CZ 3.42Å; W79-F85 VanDerWaalsContact CZ3-CZ 3.42Å; W79-F85 WeakPolarHBondContact O-CB 3.43Å
80	K	96.6	Very high	96.8	Very high	75 Å²	75	73.6 Å²	73.6	33%	0.326	38%	0.376	S	S	.	.	G	3₁₀ helix	trans	-65.5	-19.1	172.8	-61.2	172.4	-179.6	178.2	0	112.3	Y45 T49 S53 D78 S82	Y45-K80 PolarHBondContact OH-O 3.32Å; T49-K80 HydrophobicContact CG2-CB 4.33Å; T49-K80 HydrophobicContact CG2-CD 3.65Å; T49-K80 HydrophobicContact CG2-CG 3.77Å; S53-K80 VanDerWaalsContact OG-CE 3.32Å; S53-K80 WeakPolarHBondContact OG-CE 3.37Å; D78-K80 PolarHBondContact O-N 3.19Å; D78-K80 VanDerWaalsContact O-N 3.11Å; D78-K80 VanDerWaalsContact OD1-CB 3.27Å; D78-K80 WeakPolarHBondContact OD1-CB 3.45Å; D78-K80 VanDerWaalsContact OD1-CG 3.26Å; D78-K80 WeakPolarHBondContact OD1-CG 3.47Å; D78-K80 PolarHBondContact OD1-N 2.76Å; K80-S82 VanDerWaalsContact C-N 3.28Å
81	E	95.2	Very high	96.8	Very high	146 Å²	146	78.7 Å²	78.7	68%	0.682	39%	0.391	S	S	*	.	G	3₁₀ helix	trans	-82.1	-9.3	173.9	-59.8	-177.6	160.3	0	0	112.6	Y72 D78 W79 K83	Y72-E81 HydrophobicContact CE1-CB 4.24Å; D78-E81 HydrophobicContact CB-CG 4.25Å; D78-E81 WeakPolarHBondContact O-CB 3.36Å; D78-E81 PolarHBondContact O-N 3.39Å; W79-E81 PolarHBondContact O-N 3.08Å; E81-K83 PolarHBondContact O-N 3.31Å
82	S	96.4	Very high	96.8	Very high	6 Å²	6	74.8 Å²	74.8	4%	0.042	37%	0.372	C	S	.	.			trans	-67.6	128.5	-179.9	178.5	0	0	0	0	112.2	Y68 W79 K80 G84 F85 R86	Y68-S82 VanDerWaalsContact CB-OG 3.31Å; Y68-S82 WeakPolarHBondContact CB-OG 3.33Å; W79-S82 WeakPolarHBondContact O-CB 3.31Å; W79-S82 PolarHBondContact O-N 3.36Å; K80-S82 VanDerWaalsContact C-N 3.28Å; S82-G84 PolarHBondContact O-N 3.08Å; S82-G84 PolarHBondContact OG-N 3.3Å; S82-G84 VanDerWaalsContact OG-N 3.17Å; S82-F85 PolarHBondContact O-N 3Å; S82-F85 VanDerWaalsContact O-N 3.11Å; S82-R86 PolarHBondContact O-N 3.33Å
83	K	96.1	Very high	96.8	Very high	177 Å²	177	71.8 Å²	71.8	77%	0.77	36%	0.361	S	S	*	.	H	α-helix	trans	-54.6	-36.1	169.9	-174.6	178.4	-179.6	179	0	112.5	E81 T87	E81-K83 PolarHBondContact O-N 3.31Å; K83-T87 PolarHBondContact O-N 3.13Å; K83-T87 VanDerWaalsContact O-N 3.09Å; K83-T87 PolarHBondContact O-OG1 3.4Å
84	G	96.5	Very high	96.9	Very high	27 Å²	27	73.7 Å²	73.7	28%	0.278	37%	0.369	S	S	.	.	H	α-helix	trans	-65.5	-46.1	177.7	0	0	0	0	0	111.7	S82 T87 Q88	S82-G84 PolarHBondContact O-N 3.08Å; S82-G84 PolarHBondContact OG-N 3.3Å; S82-G84 VanDerWaalsContact OG-N 3.17Å; G84-T87 PolarHBondContact O-N 3.37Å; G84-Q88 PolarHBondContact O-N 2.86Å
85	F	97.5	Very high	97	Very high	0 Å²	0	66.6 Å²	66.6	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-65	-45.4	175.8	179.1	-100.7	0	0	0	111.5	Y45 T49 Y52 Y68 V69 W79 S82 T87 Q88 A89	Y45-F85 HydrophobicContact CE2-CE1 4.39Å; T49-F85 HydrophobicContact CG2-CE1 4.02Å; Y52-F85 HydrophobicContact CD1-CE2 4.44Å; Y52-F85 AromaticContact CD2-CE2 3.76Å; Y52-F85 HydrophobicContact CD2-CE2 3.76Å; Y52-F85 AromaticContact CD2-CZ 3.94Å; Y52-F85 HydrophobicContact CD2-CZ 3.94Å; Y52-F85 AromaticContact CG-CE2 3.68Å; Y52-F85 HydrophobicContact CG-CE2 3.68Å; Y52-F85 HydrophobicContact CG-CZ 4.05Å; Y68-F85 HydrophobicContact CD2-CB 3.63Å; Y68-F85 HydrophobicContact CE2-CB 3.56Å; Y68-F85 AromaticContact CE2-CD2 3.89Å; Y68-F85 HydrophobicContact CE2-CD2 3.89Å; Y68-F85 HydrophobicContact CE2-CG 4.23Å; V69-F85 HydrophobicContact CG2-CD2 4.38Å; W79-F85 AromaticContact CE3-CD1 3.91Å; W79-F85 HydrophobicContact CE3-CD1 3.91Å; W79-F85 AromaticContact CE3-CD2 3.79Å; W79-F85 HydrophobicContact CE3-CD2 3.79Å; W79-F85 HydrophobicContact CE3-CE1 4.17Å; W79-F85 HydrophobicContact CE3-CE2 4.07Å; W79-F85 AromaticContact CE3-CG 3.75Å; W79-F85 HydrophobicContact CE3-CG 3.75Å; W79-F85 HydrophobicContact CE3-CZ 4.28Å; W79-F85 HydrophobicContact CH2-CE2 4.39Å; W79-F85 HydrophobicContact CH2-CZ 4.27Å; W79-F85 AromaticContact CZ3-CD1 3.8Å; W79-F85 HydrophobicContact CZ3-CD1 3.8Å; W79-F85 AromaticContact CZ3-CD2 3.67Å; W79-F85 HydrophobicContact CZ3-CD2 3.67Å; W79-F85 AromaticContact CZ3-CE1 3.57Å; W79-F85 HydrophobicContact CZ3-CE1 3.57Å; W79-F85 AromaticContact CZ3-CE2 3.44Å; W79-F85 HydrophobicContact CZ3-CE2 3.44Å; W79-F85 VanDerWaalsContact CZ3-CE2 3.44Å; W79-F85 AromaticContact CZ3-CG 3.88Å; W79-F85 HydrophobicContact CZ3-CG 3.88Å; W79-F85 AromaticContact CZ3-CZ 3.42Å; W79-F85 HydrophobicContact CZ3-CZ 3.42Å; W79-F85 VanDerWaalsContact CZ3-CZ 3.42Å; W79-F85 WeakPolarHBondContact O-CB 3.43Å; S82-F85 PolarHBondContact O-N 3Å; S82-F85 VanDerWaalsContact O-N 3.11Å; F85-T87 VanDerWaalsContact C-N 3.26Å; F85-T87 PolarHBondContact O-N 2.98Å; F85-Q88 WeakPolarHBondContact O-CA 3.34Å; F85-Q88 WeakPolarHBondContact O-CB 3.26Å; F85-Q88 PolarHBondContact O-N 2.96Å; F85-A89 HydrophobicContact CE1-CB 3.99Å; F85-A89 HydrophobicContact CZ-CB 3.94Å; F85-A89 PolarHBondContact O-N 3.09Å
86	R	97.2	Very high	97.1	Very high	111 Å²	111	63.8 Å²	63.8	42%	0.419	32%	0.316	S	S	.	.	H	α-helix	trans	-54	-44.9	177.3	-174.9	170.2	-170.3	173.2	6.8	112.3	E42 Y45 S82 Q88 A89 L90	E42-R86 IonicContact OE1-NH2 3.41Å; E42-R86 PolarHBondContact OE1-NH2 2.9Å; Y45-R86 HydrophobicContact CD2-CG 3.93Å; Y45-R86 HydrophobicContact CE2-CB 3.9Å; Y45-R86 HydrophobicContact CE2-CG 3.62Å; S82-R86 PolarHBondContact O-N 3.33Å; R86-Q88 VanDerWaalsContact C-N 3.31Å; R86-Q88 PolarHBondContact O-N 3.43Å; R86-A89 PolarHBondContact O-N 3.28Å; R86-L90 HydrophobicContact CG-CD1 4.23Å; R86-L90 WeakPolarHBondContact O-CB 3.25Å; R86-L90 WeakPolarHBondContact O-CG 3.32Å; R86-L90 PolarHBondContact O-N 2.93Å; R86-L90 VanDerWaalsContact O-N 3.08Å
87	T	97.2	Very high	97.1	Very high	57 Å²	57	60.6 Å²	60.6	35%	0.35	28%	0.283	S	S	.	.	H	α-helix	trans	-61.4	-40.2	176.2	-55.9	0	0	0	0	111.9	K83 G84 F85 R91	K83-T87 PolarHBondContact O-N 3.13Å; K83-T87 VanDerWaalsContact O-N 3.09Å; K83-T87 PolarHBondContact O-OG1 3.4Å; G84-T87 PolarHBondContact O-N 3.37Å; F85-T87 VanDerWaalsContact C-N 3.26Å; F85-T87 PolarHBondContact O-N 2.98Å; T87-R91 VanDerWaalsContact O-CG 3.29Å; T87-R91 WeakPolarHBondContact O-CG 3.42Å; T87-R91 PolarHBondContact O-N 2.67Å
88	Q	97.3	Very high	97.1	Very high	49 Å²	49	56.8 Å²	56.8	23%	0.229	27%	0.268	C	S	.	.	H	α-helix	trans	-71	-43.4	-179.7	-176.9	60.7	31.5	0	0	112.7	Y52 F66 Y68 G84 F85 R86 L90 R91 F92	Y52-Q88 HydrophobicContact CE2-CG 3.93Å; Y52-Q88 WeakPolarHBondContact OH-CG 3.4Å; Y52-Q88 PolarHBondContact OH-NE2 3.3Å; F66-Q88 HydrophobicContact CD1-CG 4.46Å; F66-Q88 HydrophobicContact CE1-CG 4.02Å; Y68-Q88 WeakPolarHBondContact OH-CB 3.26Å; Y68-Q88 VanDerWaalsContact OH-CG 3.28Å; Y68-Q88 WeakPolarHBondContact OH-CG 3.44Å; G84-Q88 PolarHBondContact O-N 2.86Å; F85-Q88 WeakPolarHBondContact O-CA 3.34Å; F85-Q88 WeakPolarHBondContact O-CB 3.26Å; F85-Q88 PolarHBondContact O-N 2.96Å; R86-Q88 VanDerWaalsContact C-N 3.31Å; R86-Q88 PolarHBondContact O-N 3.43Å; Q88-L90 VanDerWaalsContact C-N 3.31Å; Q88-L90 PolarHBondContact O-N 3.07Å; Q88-R91 PolarHBondContact O-N 2.9Å; Q88-F92 PolarHBondContact O-N 3.24Å
89	A	97.6	Very high	97.1	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-57.3	-46.5	175	0	0	0	0	0	110.8	Y45 F85 R86 R91 F92 V93	Y45-A89 HydrophobicContact CD2-CB 3.99Å; Y45-A89 HydrophobicContact CE2-CB 3.84Å; F85-A89 HydrophobicContact CE1-CB 3.99Å; F85-A89 HydrophobicContact CZ-CB 3.94Å; F85-A89 PolarHBondContact O-N 3.09Å; R86-A89 PolarHBondContact O-N 3.28Å; A89-R91 PolarHBondContact O-N 3.06Å; A89-F92 WeakPolarHBondContact O-CB 3.21Å; A89-F92 PolarHBondContact O-N 3.3Å; A89-V93 PolarHBondContact O-N 2.72Å; A89-V93 VanDerWaalsContact O-N 3.08Å
90	L	97.3	Very high	97.1	Very high	52 Å²	52	52 Å²	52	27%	0.272	24%	0.244	S	C	.	.	H	α-helix	trans	-63.8	-41.3	177.5	-70.5	175.2	0	0	0	112.8	Y45 R86 Q88 F92 V93 Q94	Y45-L90 HydrophobicContact CD2-CG 4.44Å; R86-L90 HydrophobicContact CG-CD1 4.23Å; R86-L90 WeakPolarHBondContact O-CB 3.25Å; R86-L90 WeakPolarHBondContact O-CG 3.32Å; R86-L90 PolarHBondContact O-N 2.93Å; R86-L90 VanDerWaalsContact O-N 3.08Å; Q88-L90 VanDerWaalsContact C-N 3.31Å; Q88-L90 PolarHBondContact O-N 3.07Å; L90-F92 VanDerWaalsContact C-N 3.27Å; L90-F92 PolarHBondContact O-N 2.94Å; L90-V93 HydrophobicContact CD2-CG2 4.39Å; L90-V93 VanDerWaalsContact O-CG2 3.25Å; L90-V93 WeakPolarHBondContact O-CG2 3.48Å; L90-V93 PolarHBondContact O-N 3.26Å; L90-Q94 WeakPolarHBondContact O-CB 3.46Å; L90-Q94 WeakPolarHBondContact O-CG 3.44Å; L90-Q94 PolarHBondContact O-N 3.45Å
91	R	97	Very high	97.1	Very high	148 Å²	148	53 Å²	53	56%	0.558	25%	0.251	S	S	*	.	H	α-helix	trans	-61.6	-37	174.3	-77.2	171.6	176.4	175.9	-0.5	112.3	T87 Q88 A89 I95	T87-R91 VanDerWaalsContact O-CG 3.29Å; T87-R91 WeakPolarHBondContact O-CG 3.42Å; T87-R91 PolarHBondContact O-N 2.67Å; Q88-R91 PolarHBondContact O-N 2.9Å; A89-R91 PolarHBondContact O-N 3.06Å; R91-I95 PolarHBondContact O-N 3.44Å
92	F	97.2	Very high	97.1	Very high	39 Å²	39	46.9 Å²	46.9	17%	0.171	22%	0.222	C	C	.	.	H	α-helix	trans	-66.1	-49.7	178	-173.3	-87.4	0	0	0	111.4	I51 Y52 Q88 A89 L90 Q94 I95 L96 F141 V145	I51-F92 HydrophobicContact CD1-CD1 4.33Å; I51-F92 HydrophobicContact CD1-CE1 3.88Å; I51-F92 HydrophobicContact CG2-CD1 4.39Å; I51-F92 HydrophobicContact CG2-CE1 3.75Å; I51-F92 HydrophobicContact CG2-CZ 4.01Å; Y52-F92 HydrophobicContact CE2-CB 3.9Å; Y52-F92 HydrophobicContact CE2-CD2 4.37Å; Y52-F92 HydrophobicContact CE2-CG 4.19Å; Q88-F92 PolarHBondContact O-N 3.24Å; A89-F92 WeakPolarHBondContact O-CB 3.21Å; A89-F92 PolarHBondContact O-N 3.3Å; L90-F92 VanDerWaalsContact C-N 3.27Å; L90-F92 PolarHBondContact O-N 2.94Å; F92-Q94 VanDerWaalsContact C-N 3.28Å; F92-Q94 PolarHBondContact O-N 2.91Å; F92-I95 WeakPolarHBondContact O-CB 3.48Å; F92-I95 PolarHBondContact O-N 3.43Å; F92-L96 HydrophobicContact CD1-CD1 4.21Å; F92-L96 HydrophobicContact CD1-CG 4.33Å; F92-L96 HydrophobicContact CE1-CD1 3.85Å; F92-L96 HydrophobicContact CE1-CD2 4.28Å; F92-L96 HydrophobicContact CE1-CG 4.02Å; F92-L96 PolarHBondContact O-N 3.39Å; F92-F141 AromaticContact CE2-CD1 3.7Å; F92-F141 HydrophobicContact CE2-CD1 3.7Å; F92-F141 HydrophobicContact CE2-CE1 4.13Å; F92-F141 HydrophobicContact CZ-CD1 4.1Å; F92-V145 HydrophobicContact CE1-CG2 4.14Å; F92-V145 HydrophobicContact CZ-CG2 4.14Å
93	V	97.9	Very high	97.1	Very high	3 Å²	3	47 Å²	47	2%	0.018	22%	0.222	C	C	.	.	H	α-helix	trans	-68.6	-26.4	179	-62.1	0	0	0	0	112.9	W36 L44 V47 A89 L90 I95 L96 G97	W36-V93 HydrophobicContact CH2-CB 3.94Å; W36-V93 WeakPolarHBondContact CH2-O 3.38Å; W36-V93 WeakPolarHBondContact CZ2-O 3.47Å; L44-V93 HydrophobicContact CB-CG2 4.12Å; L44-V93 HydrophobicContact CD2-CB 4.34Å; L44-V93 HydrophobicContact CD2-CG2 4.43Å; L44-V93 WeakPolarHBondContact O-CG1 3.45Å; V47-V93 HydrophobicContact CG1-CG1 4.13Å; A89-V93 PolarHBondContact O-N 2.72Å; A89-V93 VanDerWaalsContact O-N 3.08Å; L90-V93 HydrophobicContact CD2-CG2 4.39Å; L90-V93 VanDerWaalsContact O-CG2 3.25Å; L90-V93 WeakPolarHBondContact O-CG2 3.48Å; L90-V93 PolarHBondContact O-N 3.26Å; V93-I95 VanDerWaalsContact C-N 3.3Å; V93-I95 PolarHBondContact O-N 2.88Å; V93-L96 PolarHBondContact O-N 3.44Å; V93-G97 PolarHBondContact O-N 3.44Å
94	Q	97.3	Very high	97.1	Very high	120 Å²	120	41.9 Å²	41.9	56%	0.561	20%	0.201	S	C	*	.	H	α-helix	trans	-60.8	-38.1	168.1	-77	170.5	-8.4	0	0	112.3	L90 F92 G97 L98	L90-Q94 WeakPolarHBondContact O-CB 3.46Å; L90-Q94 WeakPolarHBondContact O-CG 3.44Å; L90-Q94 PolarHBondContact O-N 3.45Å; F92-Q94 VanDerWaalsContact C-N 3.28Å; F92-Q94 PolarHBondContact O-N 2.91Å; Q94-G97 PolarHBondContact O-N 3.1Å; Q94-L98 VanDerWaalsContact O-CG 3.28Å; Q94-L98 WeakPolarHBondContact O-CG 3.39Å; Q94-L98 PolarHBondContact O-N 3.32Å
95	I	97.9	Very high	97	Very high	26 Å²	26	43.1 Å²	43.1	13%	0.133	21%	0.206	C	C	.	.	H	α-helix	trans	-67.3	-41.1	175	-65.8	-63.3	0	0	0	111.1	R91 F92 V93 L98 A99 R117 L118 L121 I178	R91-I95 PolarHBondContact O-N 3.44Å; F92-I95 WeakPolarHBondContact O-CB 3.48Å; F92-I95 PolarHBondContact O-N 3.43Å; V93-I95 VanDerWaalsContact C-N 3.3Å; V93-I95 PolarHBondContact O-N 2.88Å; I95-L98 PolarHBondContact O-N 3.06Å; I95-A99 PolarHBondContact O-N 3.14Å; I95-R117 HydrophobicContact CD1-CG 4.45Å; I95-L118 HydrophobicContact CG2-CD2 3.71Å; I95-L121 HydrophobicContact CD1-CD2 4.4Å; I95-L121 HydrophobicContact CG1-CD2 4.36Å; I95-I178 HydrophobicContact CG2-CD1 4.32Å; I95-I178 HydrophobicContact CG2-CG2 4.02Å
96	L	98.3	Very high	96.6	Very high	3 Å²	3	49.4 Å²	49.4	2%	0.016	23%	0.233	C	C	.	.	H	α-helix	trans	-60.5	-45.7	173.3	-64.9	-176.2	0	0	0	111.4	W36 I51 F92 V93 L98 A99 V100 V145 W171 I178	W36-L96 HydrophobicContact CH2-CB 3.68Å; W36-L96 HydrophobicContact CH2-CD1 4.4Å; W36-L96 HydrophobicContact CZ2-CB 4.34Å; W36-L96 HydrophobicContact CZ3-CB 4.08Å; W36-L96 HydrophobicContact CZ3-CD1 4.32Å; I51-L96 HydrophobicContact CD1-CD1 3.96Å; F92-L96 HydrophobicContact CD1-CD1 4.21Å; F92-L96 HydrophobicContact CD1-CG 4.33Å; F92-L96 HydrophobicContact CE1-CD1 3.85Å; F92-L96 HydrophobicContact CE1-CD2 4.28Å; F92-L96 HydrophobicContact CE1-CG 4.02Å; F92-L96 PolarHBondContact O-N 3.39Å; V93-L96 PolarHBondContact O-N 3.44Å; L96-L98 PolarHBondContact O-N 3.3Å; L96-A99 CarbonylContact O-C 3.53Å; L96-A99 WeakPolarHBondContact O-CA 3.28Å; L96-A99 WeakPolarHBondContact O-CB 3.41Å; L96-A99 PolarHBondContact O-N 3.03Å; L96-V100 WeakPolarHBondContact O-CG2 3.32Å; L96-V100 PolarHBondContact O-N 3.04Å; L96-V145 HydrophobicContact CD2-CG2 4.43Å; L96-W171 HydrophobicContact CB-CZ3 4.2Å; L96-W171 HydrophobicContact CD1-CZ3 4.14Å; L96-W171 HydrophobicContact CD2-CZ3 4.25Å; L96-W171 HydrophobicContact CG-CZ3 4.44Å; L96-I178 HydrophobicContact CD2-CD1 3.67Å
97	G	97.8	Very high	96.3	Very high	6 Å²	6	47.7 Å²	47.7	6%	0.062	23%	0.232	C	C	.	.	H	α-helix	trans	-59.7	-45.2	178.9	0	0	0	0	0	112.8	V93 Q94 A99 V100 E101	V93-G97 PolarHBondContact O-N 3.44Å; Q94-G97 PolarHBondContact O-N 3.1Å; G97-A99 PolarHBondContact O-N 3.06Å; G97-V100 PolarHBondContact O-N 3.35Å; G97-V100 VanDerWaalsContact O-N 3.13Å; G97-E101 WeakPolarHBondContact O-CG 3.29Å; G97-E101 PolarHBondContact O-N 3.31Å
98	L	96.6	Very high	95.9	Very high	47 Å²	47	48 Å²	48	25%	0.246	24%	0.235	C	C	.	.	H	α-helix	trans	-62	-33.2	174	-68.2	168.5	0	0	0	112.3	Q94 I95 L96 E101 K102 L114 R117	Q94-L98 VanDerWaalsContact O-CG 3.28Å; Q94-L98 WeakPolarHBondContact O-CG 3.39Å; Q94-L98 PolarHBondContact O-N 3.32Å; I95-L98 PolarHBondContact O-N 3.06Å; L96-L98 PolarHBondContact O-N 3.3Å; L98-E101 PolarHBondContact O-N 2.95Å; L98-K102 WeakPolarHBondContact O-CB 3.36Å; L98-K102 PolarHBondContact O-N 2.72Å; L98-L114 HydrophobicContact CB-CD1 3.91Å; L98-R117 VanDerWaalsContact CD1-NH1 3.31Å
99	A	97.1	Very high	95.4	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-70.9	-35.7	174.9	0	0	0	0	0	112.5	I95 L96 G97 K102 A103 L114 L174 I178	I95-A99 PolarHBondContact O-N 3.14Å; L96-A99 CarbonylContact O-C 3.53Å; L96-A99 WeakPolarHBondContact O-CA 3.28Å; L96-A99 WeakPolarHBondContact O-CB 3.41Å; L96-A99 PolarHBondContact O-N 3.03Å; G97-A99 PolarHBondContact O-N 3.06Å; A99-K102 WeakPolarHBondContact O-CB 3.38Å; A99-K102 PolarHBondContact O-N 3.48Å; A99-A103 PolarHBondContact O-N 3.26Å; A99-L114 HydrophobicContact CB-CD2 4Å; A99-L174 HydrophobicContact CB-CD1 3.82Å; A99-L174 HydrophobicContact CB-CD2 4.08Å; A99-L174 HydrophobicContact CB-CG 3.93Å; A99-I178 HydrophobicContact CB-CD1 3.61Å; A99-I178 HydrophobicContact CB-CG1 3.92Å
100	V	97.9	Very high	94.8	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-64.9	-44.7	171.4	-178.8	0	0	0	0	110.4	L32 W36 R38 L96 G97 K102 A103 E104 W171 L174	L32-V100 HydrophobicContact CB-CG1 4.31Å; W36-V100 HydrophobicContact CB-CG1 4.32Å; W36-V100 HydrophobicContact CB-CG2 4.32Å; W36-V100 HydrophobicContact CD2-CG2 4.28Å; W36-V100 HydrophobicContact CG-CB 4.46Å; W36-V100 HydrophobicContact CG-CG1 4.42Å; W36-V100 HydrophobicContact CG-CG2 4.06Å; R38-V100 VanDerWaalsContact NH2-CG1 3.29Å; L96-V100 WeakPolarHBondContact O-CG2 3.32Å; L96-V100 PolarHBondContact O-N 3.04Å; G97-V100 PolarHBondContact O-N 3.35Å; G97-V100 VanDerWaalsContact O-N 3.13Å; V100-K102 VanDerWaalsContact C-N 3.29Å; V100-K102 PolarHBondContact O-N 2.91Å; V100-A103 WeakPolarHBondContact O-CB 3.35Å; V100-A103 PolarHBondContact O-N 3.2Å; V100-A103 VanDerWaalsContact O-N 3.08Å; V100-E104 WeakPolarHBondContact O-CG 3.4Å; V100-E104 PolarHBondContact O-N 3.28Å; V100-W171 HydrophobicContact CG2-CH2 3.76Å; V100-W171 HydrophobicContact CG2-CZ2 4.27Å; V100-W171 HydrophobicContact CG2-CZ3 4.45Å; V100-L174 HydrophobicContact CG2-CD2 3.89Å
101	E	96.1	Very high	94.3	Very high	97 Å²	97	57.7 Å²	57.7	45%	0.453	28%	0.277	S	S	.	.	H	α-helix	trans	-58.9	-41.3	174.9	-68.1	172.5	-167.5	0	0	112	R38 G97 L98 A103 E104 S105	R38-E101 IonicContact NH1-OE1 3.91Å; R38-E101 PolarHBondContact NH1-OE1 3.19Å; G97-E101 WeakPolarHBondContact O-CG 3.29Å; G97-E101 PolarHBondContact O-N 3.31Å; L98-E101 PolarHBondContact O-N 2.95Å; E101-A103 VanDerWaalsContact C-N 3.34Å; E101-A103 PolarHBondContact O-N 3.03Å; E101-E104 PolarHBondContact O-N 2.86Å; E101-S105 WeakPolarHBondContact O-CB 3.37Å; E101-S105 PolarHBondContact O-N 3.48Å; E101-S105 PolarHBondContact O-OG 2.89Å
102	K	95.1	Very high	93.7	Very high	17 Å²	17	52.2 Å²	52.2	7%	0.074	26%	0.261	C	S	.	.	H	α-helix	trans	-56.3	-49	172.8	172.9	66.7	165.8	74.3	0	111.3	L22 L98 A99 V100 S105 L107 D109 S112 L114	L22-K102 HydrophobicContact CD2-CG 4.19Å; L98-K102 WeakPolarHBondContact O-CB 3.36Å; L98-K102 PolarHBondContact O-N 2.72Å; A99-K102 WeakPolarHBondContact O-CB 3.38Å; A99-K102 PolarHBondContact O-N 3.48Å; V100-K102 VanDerWaalsContact C-N 3.29Å; V100-K102 PolarHBondContact O-N 2.91Å; K102-S105 PolarHBondContact O-N 2.69Å; K102-S105 PolarHBondContact O-OG 3.15Å; K102-L107 PolarHBondContact NZ-O 3.43Å; K102-D109 WeakPolarHBondContact CE-OD1 3.44Å; K102-D109 IonicContact NZ-OD1 3.55Å; K102-D109 PolarHBondContact NZ-OD1 2.86Å; K102-S112 WeakPolarHBondContact CD-OG 3.46Å; K102-S112 WeakPolarHBondContact CE-OG 3.29Å; K102-L114 HydrophobicContact CB-CD2 3.66Å; K102-L114 HydrophobicContact CG-CD2 4.05Å
103	A	96.4	Very high	93.3	Very high	7 Å²	7	52.8 Å²	52.8	6%	0.058	28%	0.278	C	S	.	.	H	α-helix	trans	-60	-47.5	-179.2	0	0	0	0	0	111.5	L22 L24 I29 L32 A99 V100 E101 S105 K106 L174	L22-A103 HydrophobicContact CD2-CB 3.94Å; L24-A103 HydrophobicContact CD1-CB 3.63Å; I29-A103 HydrophobicContact CG1-CB 4.48Å; L32-A103 HydrophobicContact CD1-CB 4.23Å; A99-A103 PolarHBondContact O-N 3.26Å; V100-A103 WeakPolarHBondContact O-CB 3.35Å; V100-A103 PolarHBondContact O-N 3.2Å; V100-A103 VanDerWaalsContact O-N 3.08Å; E101-A103 VanDerWaalsContact C-N 3.34Å; E101-A103 PolarHBondContact O-N 3.03Å; A103-S105 PolarHBondContact O-N 3.37Å; A103-K106 PolarHBondContact O-N 3.05Å; A103-L174 HydrophobicContact CB-CD1 4.49Å
104	E	95.9	Very high	93.2	Very high	70 Å²	70	53 Å²	53	33%	0.327	28%	0.279	S	S	.	.	H	α-helix	trans	-64.7	-38.7	-179.9	-70.1	169.7	153.9	0	0	113	I29 S33 R38 V100 E101 K106	I29-E104 HydrophobicContact CG2-CG 4.16Å; S33-E104 VanDerWaalsContact CB-OE1 3.31Å; S33-E104 WeakPolarHBondContact CB-OE1 3.38Å; S33-E104 WeakPolarHBondContact OG-CG 3.35Å; S33-E104 PolarHBondContact OG-OE1 3.33Å; R38-E104 IonicContact CZ-OE1 2.8Å; R38-E104 IonicContact CZ-OE2 3.61Å; R38-E104 IonicContact NH1-OE2 2.82Å; R38-E104 IonicContact NH2-OE1 2.63Å; R38-E104 PolarHBondContact NH2-OE1 2.99Å; R38-E104 IonicContact NH2-OE2 2.73Å; R38-E104 PolarHBondContact NH2-OE2 3.45Å; V100-E104 WeakPolarHBondContact O-CG 3.4Å; V100-E104 PolarHBondContact O-N 3.28Å; E101-E104 PolarHBondContact O-N 2.86Å; E104-K106 PolarHBondContact O-N 3.27Å
105	S	94	Very high	92.9	Very high	54 Å²	54	48.6 Å²	48.6	38%	0.378	26%	0.259	S	S	.	.	H	α-helix	trans	-64.9	-23.1	-178.4	75.5	0	0	0	0	113.3	E101 K102 A103 L107	E101-S105 WeakPolarHBondContact O-CB 3.37Å; E101-S105 PolarHBondContact O-N 3.48Å; E101-S105 PolarHBondContact O-OG 2.89Å; K102-S105 PolarHBondContact O-N 2.69Å; K102-S105 PolarHBondContact O-OG 3.15Å; A103-S105 PolarHBondContact O-N 3.37Å; S105-L107 PolarHBondContact O-N 3.16Å; S105-L107 WeakPolarHBondContact OG-CB 3.41Å; S105-L107 PolarHBondContact OG-N 2.84Å
106	K	89.5	Confident	92.7	Very high	132 Å²	132	54.8 Å²	54.8	57%	0.574	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	49	19.2	-169.2	-55	-172	-172.4	-173.4	0	113.7	D26 I29 A103 E104	D26-K106 IonicContact OD1-NZ 3.78Å; D26-K106 PolarHBondContact OD1-NZ 3.21Å; D26-K106 IonicContact OD2-NZ 3.94Å; I29-K106 HydrophobicContact CD1-CG 4.32Å; A103-K106 PolarHBondContact O-N 3.05Å; E104-K106 PolarHBondContact O-N 3.27Å
107	L	90	Very high	92.6	Very high	75 Å²	75	61.5 Å²	61.5	39%	0.393	31%	0.309	S	S	.	.			trans	-70.7	145.8	179.8	-71.3	174.7	0	0	0	109.7	K102 S105 K111	K102-L107 PolarHBondContact NZ-O 3.43Å; S105-L107 PolarHBondContact O-N 3.16Å; S105-L107 WeakPolarHBondContact OG-CB 3.41Å; S105-L107 PolarHBondContact OG-N 2.84Å; L107-K111 HydrophobicContact CB-CB 4.34Å
108	P	89.2	Confident	92.6	Very high	63 Å²	63	61.2 Å²	61.2	41%	0.409	31%	0.306	S	S	.	.			trans	-62.1	155.3	169.4	29.2	-35.4	0	0	0	110.5	E110 K111	P108-E110 PolarHBondContact O-N 3.37Å; P108-K111 HydrophobicContact CG-CB 4.22Å; P108-K111 HydrophobicContact CG-CD 3.85Å; P108-K111 HydrophobicContact CG-CG 3.95Å; P108-K111 PolarHBondContact O-N 3.1Å
109	D	87.6	Confident	92.5	Very high	11 Å²	11	60.9 Å²	60.9	6%	0.059	30%	0.302	C	S	.	.	H	α-helix	trans	-58.2	-38.5	-171	-76.4	-28	0	0	0	112.6	K102 K111 S112 H115 Y177 R181	K102-D109 WeakPolarHBondContact CE-OD1 3.44Å; K102-D109 IonicContact NZ-OD1 3.55Å; K102-D109 PolarHBondContact NZ-OD1 2.86Å; D109-K111 PolarHBondContact O-N 3.44Å; D109-K111 VanDerWaalsContact O-N 3.11Å; D109-S112 PolarHBondContact O-N 3.03Å; D109-S112 VanDerWaalsContact O-N 3.12Å; D109-S112 PolarHBondContact O-OG 2.69Å; D109-H115 HydrophobicContact CB-CB 4.34Å; D109-Y177 PolarHBondContact OD1-OH 3.05Å; D109-R181 IonicContact OD2-CZ 3.48Å; D109-R181 IonicContact OD2-NE 3.45Å; D109-R181 IonicContact OD2-NH2 2.6Å; D109-R181 PolarHBondContact OD2-NH2 2.93Å
110	E	85	Confident	92.5	Very high	139 Å²	139	66 Å²	66	65%	0.65	33%	0.325	S	S	*	.	H	α-helix	trans	-60.5	-23.4	179.2	-57.7	82.9	178.2	0	0	112.9	P108	P108-E110 PolarHBondContact O-N 3.37Å
111	K	86.9	Confident	92.4	Very high	154 Å²	154	68.4 Å²	68.4	67%	0.67	34%	0.337	S	S	*	.	H	α-helix	trans	-97.5	-12.3	-179	-68.7	-171.3	-179.6	-178.3	0	114.2	L107 P108 D109	L107-K111 HydrophobicContact CB-CB 4.34Å; P108-K111 HydrophobicContact CG-CB 4.22Å; P108-K111 HydrophobicContact CG-CD 3.85Å; P108-K111 HydrophobicContact CG-CG 3.95Å; P108-K111 PolarHBondContact O-N 3.1Å; D109-K111 PolarHBondContact O-N 3.44Å; D109-K111 VanDerWaalsContact O-N 3.11Å
112	S	83.5	Confident	92.5	Very high	33 Å²	33	63.8 Å²	63.8	23%	0.231	32%	0.315	C	S	.	.	H	α-helix	trans	-88.8	-16.5	-169.4	68.6	0	0	0	0	116.1	K102 D109 L114	K102-S112 WeakPolarHBondContact CD-OG 3.46Å; K102-S112 WeakPolarHBondContact CE-OG 3.29Å; D109-S112 PolarHBondContact O-N 3.03Å; D109-S112 VanDerWaalsContact O-N 3.12Å; D109-S112 PolarHBondContact O-OG 2.69Å; S112-L114 PolarHBondContact O-N 2.83Å
113	G	89.4	Confident	92.5	Very high	51 Å²	51	66 Å²	66	53%	0.526	33%	0.326	S	S	.	.	S	Bend	trans	66.6	-24.3	-173	0	0	0	0	0	115.3	H115 K116 R117	G113-H115 PolarHBondContact O-N 3.1Å; G113-K116 PolarHBondContact O-N 3.1Å; G113-R117 PolarHBondContact O-N 3.47Å
114	L	95.1	Very high	92.5	Very high	9 Å²	9	71.1 Å²	71.1	5%	0.047	35%	0.345	C	S	.	.	H	α-helix	trans	-59.9	-44.6	178.7	176.8	60.5	0	0	0	111.5	L98 A99 K102 S112 K116 R117 L118 Y177	L98-L114 HydrophobicContact CB-CD1 3.91Å; A99-L114 HydrophobicContact CB-CD2 4Å; K102-L114 HydrophobicContact CB-CD2 3.66Å; K102-L114 HydrophobicContact CG-CD2 4.05Å; S112-L114 PolarHBondContact O-N 2.83Å; L114-K116 PolarHBondContact O-N 3.46Å; L114-R117 WeakPolarHBondContact O-CA 3.42Å; L114-R117 WeakPolarHBondContact O-CB 3.47Å; L114-R117 PolarHBondContact O-N 2.66Å; L114-L118 HydrophobicContact CD1-CD1 3.91Å; L114-L118 HydrophobicContact CD1-CD2 4.27Å; L114-L118 HydrophobicContact CD1-CG 3.82Å; L114-L118 HydrophobicContact CD2-CD1 4.28Å; L114-L118 HydrophobicContact CG-CD1 3.76Å; L114-L118 HydrophobicContact CG-CG 4.11Å; L114-L118 WeakPolarHBondContact O-CG 3.36Å; L114-L118 PolarHBondContact O-N 2.99Å; L114-Y177 HydrophobicContact CD2-CE1 4.01Å
115	H	92.3	Very high	92.5	Very high	27 Å²	27	69.6 Å²	69.6	13%	0.125	34%	0.337	C	S	.	.	H	α-helix	trans	-54.9	-51.9	179.1	172.3	-152.6	0	0	0	112	D109 G113 R117 L118 Y119 R181 E184 S191	D109-H115 HydrophobicContact CB-CB 4.34Å; G113-H115 PolarHBondContact O-N 3.1Å; H115-R117 VanDerWaalsContact C-N 3.26Å; H115-R117 PolarHBondContact O-N 2.92Å; H115-L118 PolarHBondContact O-N 2.94Å; H115-L118 VanDerWaalsContact O-N 3.16Å; H115-Y119 WeakPolarHBondContact O-CB 3.32Å; H115-Y119 PolarHBondContact O-N 2.58Å; H115-R181 PolarHBondContact NE2-NH1 3.47Å; H115-E184 IonicContact CD2-OE2 2.65Å; H115-E184 IonicContact NE2-OE2 2.62Å; H115-E184 PolarHBondContact NE2-OE2 2.92Å; H115-E184 VanDerWaalsContact NE2-OE2 3.12Å; H115-S191 PolarHBondContact CE1-OG 2.6Å; H115-S191 PolarHBondContact NE2-OG 3.4Å; H115-S191 VanDerWaalsContact NE2-OG 3.08Å
116	K	93.7	Very high	92.5	Very high	156 Å²	156	71.1 Å²	71.1	68%	0.678	34%	0.339	S	S	*	.	H	α-helix	trans	-58.3	-38.8	176.5	-174.8	177	-178.6	177.4	0	112	G113 L114 K120	G113-K116 PolarHBondContact O-N 3.1Å; L114-K116 PolarHBondContact O-N 3.46Å; K116-K120 WeakPolarHBondContact O-CG 3.38Å; K116-K120 PolarHBondContact O-N 2.84Å; K116-K120 VanDerWaalsContact O-N 3.1Å
117	R	96.4	Very high	92.6	Very high	143 Å²	143	73.4 Å²	73.4	54%	0.54	34%	0.344	S	S	.	.	H	α-helix	trans	-65	-45.6	177.1	-179.4	177.7	-72.7	-150.5	-0.7	111.5	I95 L98 G113 L114 H115 K120 L121	I95-R117 HydrophobicContact CD1-CG 4.45Å; L98-R117 VanDerWaalsContact CD1-NH1 3.31Å; G113-R117 PolarHBondContact O-N 3.47Å; L114-R117 WeakPolarHBondContact O-CA 3.42Å; L114-R117 WeakPolarHBondContact O-CB 3.47Å; L114-R117 PolarHBondContact O-N 2.66Å; H115-R117 VanDerWaalsContact C-N 3.26Å; H115-R117 PolarHBondContact O-N 2.92Å; R117-K120 PolarHBondContact O-N 2.9Å; R117-L121 WeakPolarHBondContact O-CB 3.41Å; R117-L121 PolarHBondContact O-N 2.83Å
118	L	96.7	Very high	92.8	Very high	0 Å²	0	72 Å²	72	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-66.3	-39.7	179.2	-68.4	176.3	0	0	0	111.9	I95 L114 H115 K120 L121 G122 Y177 I178 R181 M182	I95-L118 HydrophobicContact CG2-CD2 3.71Å; L114-L118 HydrophobicContact CD1-CD1 3.91Å; L114-L118 HydrophobicContact CD1-CD2 4.27Å; L114-L118 HydrophobicContact CD1-CG 3.82Å; L114-L118 HydrophobicContact CD2-CD1 4.28Å; L114-L118 HydrophobicContact CG-CD1 3.76Å; L114-L118 HydrophobicContact CG-CG 4.11Å; L114-L118 WeakPolarHBondContact O-CG 3.36Å; L114-L118 PolarHBondContact O-N 2.99Å; H115-L118 PolarHBondContact O-N 2.94Å; H115-L118 VanDerWaalsContact O-N 3.16Å; L118-K120 PolarHBondContact O-N 2.8Å; L118-L121 WeakPolarHBondContact O-CB 2.91Å; L118-L121 PolarHBondContact O-N 3.42Å; L118-L121 VanDerWaalsContact O-N 3.16Å; L118-G122 PolarHBondContact O-N 3.04Å; L118-Y177 HydrophobicContact CD1-CE1 4.14Å; L118-I178 HydrophobicContact CD1-CG1 4.38Å; L118-I178 HydrophobicContact CD2-CG2 3.87Å; L118-R181 HydrophobicContact CB-CB 3.64Å; L118-R181 HydrophobicContact CD1-CB 3.73Å; L118-R181 HydrophobicContact CD1-CG 4.16Å; L118-R181 HydrophobicContact CG-CB 4.35Å; L118-M182 HydrophobicContact CB-CG 4.35Å; L118-M182 HydrophobicContact CD2-CG 4.24Å
119	Y	95.7	Very high	93	Very high	41 Å²	41	70.9 Å²	70.9	16%	0.161	33%	0.331	C	S	.	.	H	α-helix	trans	-58.1	-49.9	172.9	-172.5	-81.8	0	0	0	111.3	H115 L121 G122 E123 E184 G185 R189	H115-Y119 WeakPolarHBondContact O-CB 3.32Å; H115-Y119 PolarHBondContact O-N 2.58Å; Y119-L121 VanDerWaalsContact C-N 3.27Å; Y119-L121 PolarHBondContact O-N 3.09Å; Y119-G122 WeakPolarHBondContact O-CA 3.31Å; Y119-G122 PolarHBondContact O-N 2.96Å; Y119-E123 HydrophobicContact CD1-CG 4.21Å; Y119-E123 HydrophobicContact CE1-CG 3.94Å; Y119-E123 VanDerWaalsContact CE1-OE1 3.31Å; Y119-E123 WeakPolarHBondContact CE1-OE1 3.38Å; Y119-E123 PolarHBondContact O-N 3.13Å; Y119-E184 HydrophobicContact CD2-CB 3.93Å; Y119-E184 HydrophobicContact CE2-CB 4.13Å; Y119-G185 WeakPolarHBondContact O-CA 3.36Å; Y119-R189 WeakPolarHBondContact CE2-O 3.28Å
120	K	96.8	Very high	93	Very high	108 Å²	108	78.5 Å²	78.5	47%	0.47	37%	0.37	S	S	.	.	H	α-helix	trans	-63.1	-32.8	176.2	-69.4	-53	-173.3	-171.9	0	113.1	K116 R117 L118 G122 E123 Y124	K116-K120 WeakPolarHBondContact O-CG 3.38Å; K116-K120 PolarHBondContact O-N 2.84Å; K116-K120 VanDerWaalsContact O-N 3.1Å; R117-K120 PolarHBondContact O-N 2.9Å; L118-K120 PolarHBondContact O-N 2.8Å; K120-G122 VanDerWaalsContact C-N 3.35Å; K120-E123 WeakPolarHBondContact CD-OE2 3.23Å; K120-E123 WeakPolarHBondContact CE-OE2 3.48Å; K120-E123 IonicContact NZ-OE1 3.9Å; K120-E123 PolarHBondContact NZ-OE1 3.27Å; K120-E123 IonicContact NZ-OE2 3.7Å; K120-E123 PolarHBondContact NZ-OE2 3.06Å; K120-Y124 PolarHBondContact O-N 3.5Å; K120-Y124 VanDerWaalsContact O-N 3.08Å
121	L	96.3	Very high	93.2	Very high	49 Å²	49	78.9 Å²	78.9	26%	0.257	37%	0.37	S	S	.	.	H	α-helix	trans	-67.2	-38.3	173	-170.1	59.1	0	0	0	111.3	I95 R117 L118 Y119 Y124 H125 M182	I95-L121 HydrophobicContact CD1-CD2 4.4Å; I95-L121 HydrophobicContact CG1-CD2 4.36Å; R117-L121 WeakPolarHBondContact O-CB 3.41Å; R117-L121 PolarHBondContact O-N 2.83Å; L118-L121 WeakPolarHBondContact O-CB 2.91Å; L118-L121 PolarHBondContact O-N 3.42Å; L118-L121 VanDerWaalsContact O-N 3.16Å; Y119-L121 VanDerWaalsContact C-N 3.27Å; Y119-L121 PolarHBondContact O-N 3.09Å; L121-Y124 WeakPolarHBondContact O-CB 3.1Å; L121-Y124 PolarHBondContact O-N 3.43Å; L121-H125 PolarHBondContact O-N 2.96Å; L121-H125 VanDerWaalsContact O-N 3.08Å; L121-H125 PolarHBondContact O-ND1 3.01Å; L121-M182 HydrophobicContact CD2-CE 4.02Å; L121-M182 HydrophobicContact CD2-SD 3.86Å; L121-M182 HydrophobicContact CG-CE 3.89Å; L121-M182 HydrophobicContact CG-SD 4.28Å
122	G	96.5	Very high	93.5	Very high	0 Å²	0	73.4 Å²	73.4	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-58	-50.6	171.1	0	0	0	0	0	113.4	L118 Y119 K120 Y124 H125 Q126 M182	L118-G122 PolarHBondContact O-N 3.04Å; Y119-G122 WeakPolarHBondContact O-CA 3.31Å; Y119-G122 PolarHBondContact O-N 2.96Å; K120-G122 VanDerWaalsContact C-N 3.35Å; G122-Y124 VanDerWaalsContact C-N 3.26Å; G122-Y124 PolarHBondContact O-N 2.94Å; G122-H125 PolarHBondContact O-N 3.42Å; G122-Q126 PolarHBondContact O-N 3.37Å; G122-M182 WeakPolarHBondContact CA-O 3.48Å
123	E	96.4	Very high	94	Very high	63 Å²	63	72.4 Å²	72.4	29%	0.294	35%	0.349	S	S	.	.	H	α-helix	trans	-55.3	-43.3	174.5	-71.1	-178.9	163.5	0	0	111.2	Y119 K120 H125 Q126	Y119-E123 HydrophobicContact CD1-CG 4.21Å; Y119-E123 HydrophobicContact CE1-CG 3.94Å; Y119-E123 VanDerWaalsContact CE1-OE1 3.31Å; Y119-E123 WeakPolarHBondContact CE1-OE1 3.38Å; Y119-E123 PolarHBondContact O-N 3.13Å; K120-E123 WeakPolarHBondContact CD-OE2 3.23Å; K120-E123 WeakPolarHBondContact CE-OE2 3.48Å; K120-E123 IonicContact NZ-OE1 3.9Å; K120-E123 PolarHBondContact NZ-OE1 3.27Å; K120-E123 IonicContact NZ-OE2 3.7Å; K120-E123 PolarHBondContact NZ-OE2 3.06Å; E123-H125 VanDerWaalsContact C-N 3.28Å; E123-H125 PolarHBondContact O-N 3.29Å; E123-Q126 WeakPolarHBondContact O-CB 3.31Å; E123-Q126 PolarHBondContact O-N 3.31Å
124	Y	95.6	Very high	94.1	Very high	116 Å²	116	76.4 Å²	76.4	46%	0.455	35%	0.352	S	S	.	.	H	α-helix	trans	-61.2	-38	177.3	179.5	-101.4	0	0	0	112.1	K120 L121 G122 Q126 R127 F128	K120-Y124 PolarHBondContact O-N 3.5Å; K120-Y124 VanDerWaalsContact O-N 3.08Å; L121-Y124 WeakPolarHBondContact O-CB 3.1Å; L121-Y124 PolarHBondContact O-N 3.43Å; G122-Y124 VanDerWaalsContact C-N 3.26Å; G122-Y124 PolarHBondContact O-N 2.94Å; Y124-Q126 VanDerWaalsContact C-N 3.28Å; Y124-Q126 PolarHBondContact O-N 2.86Å; Y124-R127 WeakPolarHBondContact O-CB 3.42Å; Y124-R127 WeakPolarHBondContact O-CG 3.34Å; Y124-R127 PolarHBondContact O-N 3.08Å; Y124-F128 AromaticContact CD1-CE2 3.88Å; Y124-F128 HydrophobicContact CD1-CE2 3.88Å; Y124-F128 HydrophobicContact CD1-CZ 4.26Å; Y124-F128 AromaticContact CE1-CE2 3.52Å; Y124-F128 HydrophobicContact CE1-CE2 3.52Å; Y124-F128 AromaticContact CE1-CZ 3.48Å; Y124-F128 HydrophobicContact CE1-CZ 3.48Å; Y124-F128 VanDerWaalsContact CE1-CZ 3.48Å; Y124-F128 AromaticContact CZ-CZ 3.83Å
125	H	95.2	Very high	93.9	Very high	37 Å²	37	77.5 Å²	77.5	17%	0.171	36%	0.359	C	S	.	.	H	α-helix	trans	-70.3	-20.1	179.8	-77.7	70.7	0	0	0	113.8	L121 G122 E123 R127 F128 W138 Y186	L121-H125 PolarHBondContact O-N 2.96Å; L121-H125 VanDerWaalsContact O-N 3.08Å; L121-H125 PolarHBondContact O-ND1 3.01Å; G122-H125 PolarHBondContact O-N 3.42Å; E123-H125 VanDerWaalsContact C-N 3.28Å; E123-H125 PolarHBondContact O-N 3.29Å; H125-R127 PolarHBondContact O-N 3.37Å; H125-R127 VanDerWaalsContact O-N 3.15Å; H125-F128 HydrophobicContact CB-CD2 4.33Å; H125-F128 WeakPolarHBondContact O-CB 3.49Å; H125-F128 PolarHBondContact O-N 2.78Å; H125-W138 HydrophobicContact CB-CZ2 4.26Å; H125-Y186 HydrophobicContact CB-CD2 4.16Å
126	Q	94.4	Very high	93.8	Very high	87 Å²	87	79.6 Å²	79.6	41%	0.407	38%	0.381	S	S	.	.	H	α-helix	trans	-56.3	-31.6	172.8	-65.8	179.7	-38.9	0	0	112.1	G122 E123 Y124 F128 A129 Y186	G122-Q126 PolarHBondContact O-N 3.37Å; E123-Q126 WeakPolarHBondContact O-CB 3.31Å; E123-Q126 PolarHBondContact O-N 3.31Å; Y124-Q126 VanDerWaalsContact C-N 3.28Å; Y124-Q126 PolarHBondContact O-N 2.86Å; Q126-F128 PolarHBondContact O-N 3.44Å; Q126-F128 VanDerWaalsContact O-N 3.13Å; Q126-A129 WeakPolarHBondContact O-CB 3.47Å; Q126-A129 PolarHBondContact O-N 3.39Å; Q126-Y186 HydrophobicContact CB-CD2 4.36Å; Q126-Y186 HydrophobicContact CB-CE2 4.47Å; Q126-Y186 HydrophobicContact CG-CD2 3.77Å; Q126-Y186 HydrophobicContact CG-CE2 4.26Å; Q126-Y186 HydrophobicContact CG-CG 4.08Å; Q126-Y186 VanDerWaalsContact CG-O 3.29Å; Q126-Y186 WeakPolarHBondContact CG-O 3.4Å; Q126-Y186 PolarHBondContact NE2-O 2.89Å
127	R	92.6	Very high	93.9	Very high	180 Å²	180	73.5 Å²	73.5	68%	0.679	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-22.7	178.6	-61.3	178.8	177.5	-174.8	-1.2	112.9	Y124 H125	Y124-R127 WeakPolarHBondContact O-CB 3.42Å; Y124-R127 WeakPolarHBondContact O-CG 3.34Å; Y124-R127 PolarHBondContact O-N 3.08Å; H125-R127 PolarHBondContact O-N 3.37Å; H125-R127 VanDerWaalsContact O-N 3.15Å
128	F	94.2	Very high	93.8	Very high	45 Å²	45	67 Å²	67	20%	0.197	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-9.9	178.8	-53.9	-53.6	0	0	0	113	F65 Y124 H125 Q126 L130 K131 G132 F133	F65-F128 HydrophobicContact CD1-CB 3.94Å; F65-F128 HydrophobicContact CD1-CD1 4.1Å; F65-F128 HydrophobicContact CD1-CG 4.18Å; F65-F128 HydrophobicContact CE1-CB 3.8Å; Y124-F128 AromaticContact CD1-CE2 3.88Å; Y124-F128 HydrophobicContact CD1-CE2 3.88Å; Y124-F128 HydrophobicContact CD1-CZ 4.26Å; Y124-F128 AromaticContact CE1-CE2 3.52Å; Y124-F128 HydrophobicContact CE1-CE2 3.52Å; Y124-F128 AromaticContact CE1-CZ 3.48Å; Y124-F128 HydrophobicContact CE1-CZ 3.48Å; Y124-F128 VanDerWaalsContact CE1-CZ 3.48Å; Y124-F128 AromaticContact CZ-CZ 3.83Å; H125-F128 HydrophobicContact CB-CD2 4.33Å; H125-F128 WeakPolarHBondContact O-CB 3.49Å; H125-F128 PolarHBondContact O-N 2.78Å; Q126-F128 PolarHBondContact O-N 3.44Å; Q126-F128 VanDerWaalsContact O-N 3.13Å; F128-L130 VanDerWaalsContact C-N 3.29Å; F128-L130 PolarHBondContact O-N 3.5Å; F128-K131 CarbonylContact O-C 3.57Å; F128-K131 WeakPolarHBondContact O-CA 3.38Å; F128-K131 PolarHBondContact O-N 3Å; F128-G132 PolarHBondContact O-N 3.29Å; F128-F133 HydrophobicContact CB-CB 3.6Å; F128-F133 HydrophobicContact CB-CG 4.18Å; F128-F133 VanDerWaalsContact O-CB 3.29Å; F128-F133 WeakPolarHBondContact O-CB 3.49Å; F128-F133 PolarHBondContact O-N 2.83Å
129	A	92.2	Very high	93.7	Very high	40 Å²	40	70.7 Å²	70.7	33%	0.331	36%	0.357	S	S	.	.	G	3₁₀ helix	trans	-58.6	-41.5	178.8	0	0	0	0	0	111.9	Q126 K131 G132 F133 Y186	Q126-A129 WeakPolarHBondContact O-CB 3.47Å; Q126-A129 PolarHBondContact O-N 3.39Å; A129-K131 PolarHBondContact O-N 3.1Å; A129-G132 PolarHBondContact O-N 3.36Å; A129-F133 WeakPolarHBondContact CA-O 3.43Å; A129-Y186 WeakPolarHBondContact CB-OH 3.34Å
130	L	88.6	Confident	93.6	Very high	170 Å²	170	69.4 Å²	69.4	89%	0.89	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-64.4	-21.3	177.2	-63.4	178.9	0	0	0	113.5	F128	F128-L130 VanDerWaalsContact C-N 3.29Å; F128-L130 PolarHBondContact O-N 3.5Å
131	K	89.8	Confident	93.6	Very high	148 Å²	148	65.4 Å²	65.4	64%	0.643	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-96	9.2	175.9	-73.2	-176.3	-177.8	-172.7	0	112.4	F65 F128 A129	F65-K131 HydrophobicContact CD1-CB 4.33Å; F65-K131 HydrophobicContact CE1-CB 3.54Å; F65-K131 HydrophobicContact CZ-CB 4.29Å; F65-K131 WeakPolarHBondContact CZ-O 3.48Å; F128-K131 CarbonylContact O-C 3.57Å; F128-K131 WeakPolarHBondContact O-CA 3.38Å; F128-K131 PolarHBondContact O-N 3Å; A129-K131 PolarHBondContact O-N 3.1Å
132	G	91.9	Very high	93.6	Very high	39 Å²	39	63.7 Å²	63.7	40%	0.402	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	96.6	6.3	175.9	0	0	0	0	0	115.1	F128 A129 K134 H137	F128-G132 PolarHBondContact O-N 3.29Å; A129-G132 PolarHBondContact O-N 3.36Å; G132-K134 PolarHBondContact O-N 2.91Å; G132-H137 PolarHBondContact O-CE1 2.9Å
133	F	94	Very high	93.6	Very high	12 Å²	12	66.2 Å²	66.2	5%	0.053	35%	0.346	C	S	.	.			trans	-66.5	128.1	173.5	-174.2	-92.9	0	0	0	109.6	L62 F65 F128 A129 H137 W138 Y186	L62-F133 HydrophobicContact CD2-CD2 4.21Å; F65-F133 HydrophobicContact CE1-CB 3.95Å; F65-F133 HydrophobicContact CE2-CB 4.32Å; F65-F133 HydrophobicContact CE2-CD2 4.4Å; F65-F133 HydrophobicContact CZ-CB 3.72Å; F128-F133 HydrophobicContact CB-CB 3.6Å; F128-F133 HydrophobicContact CB-CG 4.18Å; F128-F133 VanDerWaalsContact O-CB 3.29Å; F128-F133 WeakPolarHBondContact O-CB 3.49Å; F128-F133 PolarHBondContact O-N 2.83Å; A129-F133 WeakPolarHBondContact CA-O 3.43Å; F133-H137 AromaticContact CD2-ND1 3.89Å; F133-H137 HydrophobicContact CE2-CB 4.1Å; F133-H137 HydrophobicContact CZ-CB 4.43Å; F133-W138 HydrophobicContact CE1-CD2 4.35Å; F133-W138 AromaticContact CE1-CE2 3.77Å; F133-W138 HydrophobicContact CE1-CH2 4.09Å; F133-W138 AromaticContact CE1-CZ2 3.65Å; F133-W138 HydrophobicContact CE1-CZ2 3.65Å; F133-W138 HydrophobicContact CZ-CD2 4.24Å; F133-W138 AromaticContact CZ-CE2 3.69Å; F133-W138 HydrophobicContact CZ-CG 4.46Å; F133-W138 HydrophobicContact CZ-CZ2 4.03Å; F133-W138 AromaticContact CZ-NE1 3.59Å; F133-Y186 HydrophobicContact CD1-CE2 4.14Å; F133-Y186 HydrophobicContact CE1-CE2 4.42Å
134	K	92.6	Very high	93.7	Very high	134 Å²	134	63.2 Å²	63.2	58%	0.583	33%	0.332	S	S	*	.			trans	-122.2	144.8	179.7	-65.4	175.3	-175.3	175.1	0	109.4	G132 A136 H137	G132-K134 PolarHBondContact O-N 2.91Å; K134-A136 PolarHBondContact O-N 3.46Å; K134-A136 VanDerWaalsContact O-N 3.09Å; K134-H137 PolarHBondContact N-CE1 3.35Å; K134-H137 VanDerWaalsContact N-CE1 3.33Å; K134-H137 PolarHBondContact N-ND1 3.08Å; K134-H137 VanDerWaalsContact O-CB 3.26Å; K134-H137 WeakPolarHBondContact O-CB 3.37Å; K134-H137 VanDerWaalsContact O-CG 3.28Å; K134-H137 PolarHBondContact O-N 2.71Å; K134-H137 PolarHBondContact O-ND1 3.01Å
135	P	89.6	Confident	93.8	Very high	33 Å²	33	57.8 Å²	57.8	21%	0.214	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.8	-33.7	173.9	-31.3	36.9	0	0	0	114.2	H137 W138 Y186 F187	P135-H137 PolarHBondContact O-N 3.4Å; P135-W138 VanDerWaalsContact CA-CE3 3.44Å; P135-W138 HydrophobicContact CB-CE3 3.79Å; P135-W138 HydrophobicContact CB-CZ3 3.65Å; P135-W138 HydrophobicContact CG-CZ3 4.01Å; P135-W138 WeakPolarHBondContact O-CB 3.15Å; P135-W138 PolarHBondContact O-N 3.02Å; P135-Y186 HydrophobicContact CG-CD1 4.05Å; P135-Y186 HydrophobicContact CG-CE1 3.53Å; P135-F187 HydrophobicContact CB-CE2 4.45Å; P135-F187 HydrophobicContact CB-CZ 3.87Å; P135-F187 HydrophobicContact CG-CE1 3.92Å; P135-F187 HydrophobicContact CG-CE2 4.28Å; P135-F187 HydrophobicContact CG-CZ 3.39Å
136	A	91.7	Very high	94	Very high	71 Å²	71	59.5 Å²	59.5	59%	0.587	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-28.9	175.2	0	0	0	0	0	113.5	K134 W138 S139	K134-A136 PolarHBondContact O-N 3.46Å; K134-A136 VanDerWaalsContact O-N 3.09Å; A136-W138 PolarHBondContact O-N 3.38Å; A136-S139 WeakPolarHBondContact O-CB 3.47Å; A136-S139 PolarHBondContact O-N 3.08Å; A136-S139 PolarHBondContact O-OG 3.49Å
137	H	94.2	Very high	94.1	Very high	28 Å²	28	57.3 Å²	57.3	13%	0.13	31%	0.306	C	S	.	.	H	α-helix	trans	-64.8	-25.6	177.3	-57.6	149.2	0	0	0	112.9	E61 L62 G132 F133 K134 P135 S139 G140 F141	E61-H137 IonicContact OE1-NE2 3.12Å; L62-H137 HydrophobicContact CD1-CB 4.13Å; L62-H137 HydrophobicContact CD2-CB 4.12Å; L62-H137 WeakPolarHBondContact CD2-ND1 3.38Å; G132-H137 PolarHBondContact O-CE1 2.9Å; F133-H137 AromaticContact CD2-ND1 3.89Å; F133-H137 HydrophobicContact CE2-CB 4.1Å; F133-H137 HydrophobicContact CZ-CB 4.43Å; K134-H137 PolarHBondContact N-CE1 3.35Å; K134-H137 VanDerWaalsContact N-CE1 3.33Å; K134-H137 PolarHBondContact N-ND1 3.08Å; K134-H137 VanDerWaalsContact O-CB 3.26Å; K134-H137 WeakPolarHBondContact O-CB 3.37Å; K134-H137 VanDerWaalsContact O-CG 3.28Å; K134-H137 PolarHBondContact O-N 2.71Å; K134-H137 PolarHBondContact O-ND1 3.01Å; P135-H137 PolarHBondContact O-N 3.4Å; H137-S139 PolarHBondContact O-N 3.16Å; H137-G140 PolarHBondContact O-N 3.13Å; H137-F141 WeakPolarHBondContact O-CD2 3.36Å
138	W	95.2	Very high	94.4	Very high	6 Å²	6	48.8 Å²	48.8	2%	0.023	27%	0.274	C	S	.	.	H	α-helix	trans	-62.8	-28.3	176.1	-75.1	-48.7	0	0	0	113.7	H125 F133 P135 A136 G140 F141 C142 V179 M182 E183 Y186	H125-W138 HydrophobicContact CB-CZ2 4.26Å; F133-W138 HydrophobicContact CE1-CD2 4.35Å; F133-W138 AromaticContact CE1-CE2 3.77Å; F133-W138 HydrophobicContact CE1-CH2 4.09Å; F133-W138 AromaticContact CE1-CZ2 3.65Å; F133-W138 HydrophobicContact CE1-CZ2 3.65Å; F133-W138 HydrophobicContact CZ-CD2 4.24Å; F133-W138 AromaticContact CZ-CE2 3.69Å; F133-W138 HydrophobicContact CZ-CG 4.46Å; F133-W138 HydrophobicContact CZ-CZ2 4.03Å; F133-W138 AromaticContact CZ-NE1 3.59Å; P135-W138 VanDerWaalsContact CA-CE3 3.44Å; P135-W138 HydrophobicContact CB-CE3 3.79Å; P135-W138 HydrophobicContact CB-CZ3 3.65Å; P135-W138 HydrophobicContact CG-CZ3 4.01Å; P135-W138 WeakPolarHBondContact O-CB 3.15Å; P135-W138 PolarHBondContact O-N 3.02Å; A136-W138 PolarHBondContact O-N 3.38Å; W138-G140 PolarHBondContact O-N 2.91Å; W138-F141 WeakPolarHBondContact O-CB 3.29Å; W138-F141 PolarHBondContact O-N 3.44Å; W138-C142 PolarHBondContact O-N 3.47Å; W138-C142 VanDerWaalsContact O-N 3.1Å; W138-V179 HydrophobicContact CB-CB 4.31Å; W138-V179 HydrophobicContact CB-CG1 3.49Å; W138-V179 VanDerWaalsContact CB-CG1 3.49Å; W138-V179 HydrophobicContact CB-CG2 3.8Å; W138-V179 HydrophobicContact CD2-CG1 4.27Å; W138-V179 HydrophobicContact CE3-CG1 4.4Å; W138-V179 HydrophobicContact CG-CG1 3.93Å; W138-V179 HydrophobicContact CG-CG2 4.13Å; W138-M182 HydrophobicContact CZ2-CB 4.4Å; W138-M182 HydrophobicContact CZ2-CE 4.21Å; W138-E183 HydrophobicContact CD2-CG 4.48Å; W138-E183 HydrophobicContact CE3-CG 3.47Å; W138-E183 VanDerWaalsContact CE3-CG 3.47Å; W138-E183 HydrophobicContact CH2-CG 4.26Å; W138-E183 HydrophobicContact CZ3-CB 4.39Å; W138-E183 HydrophobicContact CZ3-CG 3.37Å; W138-Y186 HydrophobicContact CH2-CD1 4.01Å; W138-Y186 AromaticContact CH2-CD2 3.6Å; W138-Y186 HydrophobicContact CH2-CD2 3.6Å; W138-Y186 HydrophobicContact CH2-CE2 4.26Å; W138-Y186 AromaticContact CH2-CG 3.45Å; W138-Y186 HydrophobicContact CH2-CG 3.45Å; W138-Y186 VanDerWaalsContact CH2-CG 3.45Å; W138-Y186 HydrophobicContact CZ2-CD2 4.24Å; W138-Y186 HydrophobicContact CZ2-CG 4.44Å; W138-Y186 HydrophobicContact CZ3-CD1 4.26Å; W138-Y186 HydrophobicContact CZ3-CG 4.14Å
139	S	93.9	Very high	94.6	Very high	78 Å²	78	46.6 Å²	46.6	55%	0.545	26%	0.264	S	S	.	.	H	α-helix	trans	-61	-33.3	173.5	69.3	0	0	0	0	112.4	A136 H137 F141 C142 T143	A136-S139 WeakPolarHBondContact O-CB 3.47Å; A136-S139 PolarHBondContact O-N 3.08Å; A136-S139 PolarHBondContact O-OG 3.49Å; H137-S139 PolarHBondContact O-N 3.16Å; S139-F141 VanDerWaalsContact C-N 3.35Å; S139-C142 PolarHBondContact O-N 2.95Å; S139-T143 WeakPolarHBondContact O-CB 3.39Å; S139-T143 PolarHBondContact O-N 3.33Å; S139-T143 PolarHBondContact O-OG1 3.5Å
140	G	94.7	Very high	94.8	Very high	13 Å²	13	47.9 Å²	47.9	13%	0.134	26%	0.263	C	S	.	.	H	α-helix	trans	-64.9	-37.8	173.3	0	0	0	0	0	112.3	H137 W138 T143 A144	H137-G140 PolarHBondContact O-N 3.13Å; W138-G140 PolarHBondContact O-N 2.91Å; G140-T143 PolarHBondContact O-N 3.03Å; G140-A144 VanDerWaalsContact O-CB 3.29Å; G140-A144 WeakPolarHBondContact O-CB 3.43Å; G140-A144 PolarHBondContact O-N 2.86Å
141	F	95.5	Very high	95.2	Very high	25 Å²	25	44.3 Å²	44.3	11%	0.11	24%	0.241	C	C	.	.	H	α-helix	trans	-65.6	-46.5	174.5	-72.3	-90.2	0	0	0	112.1	Y52 V55 L62 F92 H137 W138 S139 T143 A144 V145	Y52-F141 AromaticContact CE1-CE1 3.99Å; Y52-F141 HydrophobicContact CE1-CE1 3.99Å; Y52-F141 HydrophobicContact CE1-CZ 4.49Å; V55-F141 HydrophobicContact CG1-CE1 4.08Å; V55-F141 HydrophobicContact CG1-CE2 4.13Å; V55-F141 HydrophobicContact CG1-CZ 3.86Å; V55-F141 HydrophobicContact CG2-CD1 3.64Å; V55-F141 HydrophobicContact CG2-CD2 4.45Å; V55-F141 HydrophobicContact CG2-CE1 3.87Å; V55-F141 HydrophobicContact CG2-CG 3.98Å; V55-F141 HydrophobicContact CG2-CZ 4.39Å; L62-F141 HydrophobicContact CD1-CE2 4.37Å; F92-F141 AromaticContact CE2-CD1 3.7Å; F92-F141 HydrophobicContact CE2-CD1 3.7Å; F92-F141 HydrophobicContact CE2-CE1 4.13Å; F92-F141 HydrophobicContact CZ-CD1 4.1Å; H137-F141 WeakPolarHBondContact O-CD2 3.36Å; W138-F141 WeakPolarHBondContact O-CB 3.29Å; W138-F141 PolarHBondContact O-N 3.44Å; S139-F141 VanDerWaalsContact C-N 3.35Å; F141-T143 VanDerWaalsContact C-N 3.28Å; F141-T143 PolarHBondContact O-N 3.06Å; F141-A144 PolarHBondContact O-N 3.16Å; F141-V145 WeakPolarHBondContact O-CG2 3.37Å; F141-V145 PolarHBondContact O-N 3.41Å
142	C	97.2	Very high	95.6	Very high	12 Å²	12	39 Å²	39	8%	0.081	22%	0.218	C	C	.	.	H	α-helix	trans	-58.8	-43.2	176.1	-63.5	0	0	0	0	111.5	W138 S139 V145 R146 V179	W138-C142 PolarHBondContact O-N 3.47Å; W138-C142 VanDerWaalsContact O-N 3.1Å; S139-C142 PolarHBondContact O-N 2.95Å; C142-V145 PolarHBondContact O-N 2.9Å; C142-R146 WeakPolarHBondContact O-CB 3.44Å; C142-R146 PolarHBondContact O-N 3.28Å; C142-V179 VanDerWaalsContact SG-CG2 3.55Å
143	T	97.1	Very high	95.8	Very high	54 Å²	54	37.2 Å²	37.2	33%	0.331	20%	0.2	S	C	.	.	H	α-helix	trans	-62.8	-45.8	177.3	-58.5	0	0	0	0	111.4	L58 S139 G140 F141 R146 I147	L58-T143 HydrophobicContact CD1-CG2 4.14Å; S139-T143 WeakPolarHBondContact O-CB 3.39Å; S139-T143 PolarHBondContact O-N 3.33Å; S139-T143 PolarHBondContact O-OG1 3.5Å; G140-T143 PolarHBondContact O-N 3.03Å; F141-T143 VanDerWaalsContact C-N 3.28Å; F141-T143 PolarHBondContact O-N 3.06Å; T143-R146 PolarHBondContact O-N 2.93Å; T143-I147 HydrophobicContact CG2-CD1 3.76Å; T143-I147 HydrophobicContact CG2-CG1 4.44Å; T143-I147 WeakPolarHBondContact O-CG1 3.44Å; T143-I147 PolarHBondContact O-N 3.2Å
144	A	98.1	Very high	95.9	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-63.1	-41.2	178.3	0	0	0	0	0	112.5	I51 H54 V55 G140 F141 T148	I51-A144 HydrophobicContact CG2-CB 4.02Å; H54-A144 HydrophobicContact CB-CB 3.71Å; V55-A144 HydrophobicContact CG2-CB 3.79Å; G140-A144 VanDerWaalsContact O-CB 3.29Å; G140-A144 WeakPolarHBondContact O-CB 3.43Å; G140-A144 PolarHBondContact O-N 2.86Å; F141-A144 PolarHBondContact O-N 3.16Å; A144-T148 VanDerWaalsContact O-CB 3.28Å; A144-T148 WeakPolarHBondContact O-CB 3.41Å; A144-T148 PolarHBondContact O-N 2.73Å; A144-T148 PolarHBondContact O-OG1 3.06Å
145	V	98.4	Very high	96.1	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.006	22%	0.222	C	C	.	.	H	α-helix	trans	-61.1	-49.9	173.9	170.7	0	0	0	0	110.4	I51 F92 L96 F141 C142 I147 T148 M149 W171	I51-V145 HydrophobicContact CD1-CG2 4.06Å; I51-V145 HydrophobicContact CG1-CG2 4.48Å; I51-V145 HydrophobicContact CG2-CG2 4.32Å; F92-V145 HydrophobicContact CE1-CG2 4.14Å; F92-V145 HydrophobicContact CZ-CG2 4.14Å; L96-V145 HydrophobicContact CD2-CG2 4.43Å; F141-V145 WeakPolarHBondContact O-CG2 3.37Å; F141-V145 PolarHBondContact O-N 3.41Å; C142-V145 PolarHBondContact O-N 2.9Å; V145-I147 PolarHBondContact O-N 3.42Å; V145-T148 PolarHBondContact O-N 3.21Å; V145-M149 HydrophobicContact CG1-CG 4.35Å; V145-M149 WeakPolarHBondContact O-CB 3.47Å; V145-M149 WeakPolarHBondContact O-CG 3.43Å; V145-M149 PolarHBondContact O-N 3.46Å; V145-W171 HydrophobicContact CG1-CB 4.32Å; V145-W171 HydrophobicContact CG1-CE3 3.78Å
146	R	97.6	Very high	96.4	Very high	73 Å²	73	38.9 Å²	38.9	28%	0.275	21%	0.214	S	C	.	.	H	α-helix	trans	-57.1	-49.8	179.2	-172.3	-167.6	63.4	69.6	0.2	111.6	C142 T143 Q150	C142-R146 WeakPolarHBondContact O-CB 3.44Å; C142-R146 PolarHBondContact O-N 3.28Å; T143-R146 PolarHBondContact O-N 2.93Å; R146-Q150 VanDerWaalsContact O-CB 3.23Å; R146-Q150 WeakPolarHBondContact O-CB 3.38Å; R146-Q150 PolarHBondContact O-N 3.23Å
147	I	97.6	Very high	96.7	Very high	41 Å²	41	42.7 Å²	42.7	21%	0.21	22%	0.224	C	C	.	.	H	α-helix	trans	-62.7	-45.5	179.9	-68.9	169.7	0	0	0	110.9	T143 V145 Q150 K151	T143-I147 HydrophobicContact CG2-CD1 3.76Å; T143-I147 HydrophobicContact CG2-CG1 4.44Å; T143-I147 WeakPolarHBondContact O-CG1 3.44Å; T143-I147 PolarHBondContact O-N 3.2Å; V145-I147 PolarHBondContact O-N 3.42Å; I147-Q150 PolarHBondContact O-N 3.48Å; I147-K151 HydrophobicContact CG2-CD 4.26Å; I147-K151 WeakPolarHBondContact O-CG 3.5Å; I147-K151 PolarHBondContact O-N 3.31Å
148	T	98.2	Very high	96.8	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.006	25%	0.245	C	C	.	.	H	α-helix	trans	-61.6	-49.3	-179	-57.8	0	0	0	0	110.3	V47 T50 I51 A144 V145 Q150 K151 Q152	V47-T148 HydrophobicContact CG1-CG2 4.21Å; T50-T148 HydrophobicContact CG2-CG2 3.87Å; I51-T148 HydrophobicContact CD1-CG2 4.49Å; I51-T148 HydrophobicContact CG1-CG2 3.97Å; I51-T148 WeakPolarHBondContact CG1-OG1 3.47Å; A144-T148 VanDerWaalsContact O-CB 3.28Å; A144-T148 WeakPolarHBondContact O-CB 3.41Å; A144-T148 PolarHBondContact O-N 2.73Å; A144-T148 PolarHBondContact O-OG1 3.06Å; V145-T148 PolarHBondContact O-N 3.21Å; T148-Q150 PolarHBondContact O-N 3.06Å; T148-K151 PolarHBondContact O-N 3.42Å; T148-Q152 HydrophobicContact CG2-CG 4.42Å; T148-Q152 WeakPolarHBondContact O-CG 3.43Å; T148-Q152 PolarHBondContact O-N 3.39Å
149	M	98.2	Very high	96.9	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-72.6	-29	-176.7	-63.4	-51.6	-55.3	0	0	112.9	W43 V47 V145 Q152 S153 W171	W43-M149 HydrophobicContact CH2-CE 3.9Å; W43-M149 HydrophobicContact CH2-SD 4.38Å; W43-M149 HydrophobicContact CZ2-CE 4.03Å; V47-M149 HydrophobicContact CG1-SD 4.24Å; V145-M149 HydrophobicContact CG1-CG 4.35Å; V145-M149 WeakPolarHBondContact O-CB 3.47Å; V145-M149 WeakPolarHBondContact O-CG 3.43Å; V145-M149 PolarHBondContact O-N 3.46Å; M149-Q152 HydrophobicContact CE-CB 4.37Å; M149-Q152 PolarHBondContact O-N 3.45Å; M149-Q152 HydrophobicContact SD-CG 4.49Å; M149-S153 WeakPolarHBondContact O-CB 3.5Å; M149-S153 PolarHBondContact O-N 3.33Å; M149-W171 HydrophobicContact CB-CB 4.11Å; M149-W171 HydrophobicContact CB-CD2 4.01Å; M149-W171 HydrophobicContact CB-CG 3.61Å; M149-W171 HydrophobicContact CE-CD2 4.36Å; M149-W171 HydrophobicContact CE-CH2 4.46Å; M149-W171 HydrophobicContact CE-CZ2 3.62Å; M149-W171 HydrophobicContact CG-CB 4.33Å; M149-W171 HydrophobicContact CG-CD2 3.51Å; M149-W171 HydrophobicContact CG-CE3 3.94Å; M149-W171 HydrophobicContact CG-CG 3.66Å; M149-W171 HydrophobicContact CG-CZ2 4.34Å; M149-W171 HydrophobicContact SD-CD2 4.48Å; M149-W171 HydrophobicContact SD-CZ2 4.28Å
150	Q	97.1	Very high	97	Very high	66 Å²	66	46.6 Å²	46.6	31%	0.308	24%	0.239	S	C	.	.	H	α-helix	trans	-59.2	-53.5	168.2	-179.9	174.4	1.5	0	0	110.9	R146 I147 T148 Q152 S153 E154 C168	R146-Q150 VanDerWaalsContact O-CB 3.23Å; R146-Q150 WeakPolarHBondContact O-CB 3.38Å; R146-Q150 PolarHBondContact O-N 3.23Å; I147-Q150 PolarHBondContact O-N 3.48Å; T148-Q150 PolarHBondContact O-N 3.06Å; Q150-Q152 VanDerWaalsContact C-N 3.32Å; Q150-Q152 PolarHBondContact O-N 3.4Å; Q150-S153 WeakPolarHBondContact O-CB 3.48Å; Q150-S153 PolarHBondContact O-N 3.42Å; Q150-S153 VanDerWaalsContact O-N 3.1Å; Q150-S153 PolarHBondContact O-OG 3.37Å; Q150-E154 PolarHBondContact O-N 3.32Å; Q150-E154 VanDerWaalsContact O-N 3.1Å; Q150-C168 VanDerWaalsContact CB-SG 3.6Å; Q150-C168 VanDerWaalsContact CG-SG 3.55Å
151	K	97.3	Very high	97	Very high	96 Å²	96	52.5 Å²	52.5	42%	0.417	27%	0.267	S	S	.	.	H	α-helix	trans	-61.5	-39.2	177.7	-71	175.8	179	174.5	0	112.6	H54 I147 T148 S153 E154	H54-K151 PolarHBondContact NE2-NZ 3.3Å; I147-K151 HydrophobicContact CG2-CD 4.26Å; I147-K151 WeakPolarHBondContact O-CG 3.5Å; I147-K151 PolarHBondContact O-N 3.31Å; T148-K151 PolarHBondContact O-N 3.42Å; K151-S153 VanDerWaalsContact C-N 3.31Å; K151-S153 PolarHBondContact O-N 3.25Å; K151-E154 WeakPolarHBondContact O-CB 3.35Å; K151-E154 PolarHBondContact O-N 3.06Å
152	Q	97.1	Very high	97.1	Very high	36 Å²	36	58.4 Å²	58.4	17%	0.168	29%	0.293	C	S	.	.	H	α-helix	trans	-62.4	-42.3	174.6	-71.2	-57.7	-43.9	0	0	111	W43 V47 T148 M149 Q150 E154 T155 M156	W43-Q152 HydrophobicContact CZ2-CB 4.39Å; W43-Q152 HydrophobicContact CZ2-CG 4.16Å; V47-Q152 HydrophobicContact CG2-CG 4.18Å; T148-Q152 HydrophobicContact CG2-CG 4.42Å; T148-Q152 WeakPolarHBondContact O-CG 3.43Å; T148-Q152 PolarHBondContact O-N 3.39Å; M149-Q152 HydrophobicContact CE-CB 4.37Å; M149-Q152 PolarHBondContact O-N 3.45Å; M149-Q152 HydrophobicContact SD-CG 4.49Å; Q150-Q152 VanDerWaalsContact C-N 3.32Å; Q150-Q152 PolarHBondContact O-N 3.4Å; Q152-E154 VanDerWaalsContact C-N 3.28Å; Q152-E154 PolarHBondContact O-N 2.91Å; Q152-T155 PolarHBondContact O-N 2.95Å; Q152-T155 VanDerWaalsContact O-N 3.14Å; Q152-T155 PolarHBondContact O-OG1 2.83Å; Q152-M156 HydrophobicContact CB-CE 4.48Å
153	S	97.1	Very high	97.1	Very high	2 Å²	2	61.1 Å²	61.1	1%	0.014	30%	0.304	C	S	.	.	H	α-helix	trans	-58.3	-42.2	176.6	85.2	0	0	0	0	111.3	M149 Q150 K151 T155 M156 R164	M149-S153 WeakPolarHBondContact O-CB 3.5Å; M149-S153 PolarHBondContact O-N 3.33Å; Q150-S153 WeakPolarHBondContact O-CB 3.48Å; Q150-S153 PolarHBondContact O-N 3.42Å; Q150-S153 VanDerWaalsContact O-N 3.1Å; Q150-S153 PolarHBondContact O-OG 3.37Å; K151-S153 VanDerWaalsContact C-N 3.31Å; K151-S153 PolarHBondContact O-N 3.25Å; S153-T155 PolarHBondContact O-N 2.98Å; S153-M156 VanDerWaalsContact O-CB 3.31Å; S153-M156 WeakPolarHBondContact O-CB 3.47Å; S153-M156 PolarHBondContact O-N 3.01Å; S153-R164 PolarHBondContact O-NH1 2.82Å
154	E	96.5	Very high	97.1	Very high	113 Å²	113	60.8 Å²	60.8	53%	0.528	30%	0.297	S	S	.	.	H	α-helix	trans	-52.2	-28.4	177.9	-70.7	165.2	-170.8	0	0	113.4	Q150 K151 Q152 R164	Q150-E154 PolarHBondContact O-N 3.32Å; Q150-E154 VanDerWaalsContact O-N 3.1Å; K151-E154 WeakPolarHBondContact O-CB 3.35Å; K151-E154 PolarHBondContact O-N 3.06Å; Q152-E154 VanDerWaalsContact C-N 3.28Å; Q152-E154 PolarHBondContact O-N 2.91Å; E154-R164 PolarHBondContact O-NH1 3.12Å
155	T	95.9	Very high	97	Very high	94 Å²	94	65.9 Å²	65.9	58%	0.577	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-3.4	177.7	70.7	0	0	0	0	114.8	Q152 S153	Q152-T155 PolarHBondContact O-N 2.95Å; Q152-T155 VanDerWaalsContact O-N 3.14Å; Q152-T155 PolarHBondContact O-OG1 2.83Å; S153-T155 PolarHBondContact O-N 2.98Å
156	M	96.8	Very high	96.9	Very high	7 Å²	7	67 Å²	67	3%	0.034	33%	0.328	C	S	.	.			trans	-102.1	94.9	-175.7	-63.2	176.8	-175.8	0	0	110.7	T35 Q152 S153 F158 L159 R164	T35-M156 HydrophobicContact CG2-CE 4.43Å; T35-M156 HydrophobicContact CG2-SD 3.75Å; Q152-M156 HydrophobicContact CB-CE 4.48Å; S153-M156 VanDerWaalsContact O-CB 3.31Å; S153-M156 WeakPolarHBondContact O-CB 3.47Å; S153-M156 PolarHBondContact O-N 3.01Å; M156-F158 HydrophobicContact CB-CD1 4.07Å; M156-F158 HydrophobicContact CB-CE1 3.57Å; M156-F158 HydrophobicContact CB-CE2 4.43Å; M156-F158 HydrophobicContact CB-CZ 3.78Å; M156-F158 HydrophobicContact CG-CE1 3.86Å; M156-F158 HydrophobicContact CG-CZ 3.96Å; M156-F158 PolarHBondContact O-N 3.36Å; M156-F158 VanDerWaalsContact O-N 3.13Å; M156-F158 HydrophobicContact SD-CE1 4.21Å; M156-F158 HydrophobicContact SD-CZ 3.7Å; M156-L159 HydrophobicContact CB-CD1 3.87Å; M156-L159 HydrophobicContact CB-CG 4.02Å; M156-L159 PolarHBondContact O-N 2.85Å; M156-L159 VanDerWaalsContact O-N 3.09Å; M156-L159 HydrophobicContact SD-CD1 4.04Å; M156-R164 PolarHBondContact O-NH2 2.76Å
157	D	96.4	Very high	97	Very high	151 Å²	151	63.6 Å²	63.6	81%	0.807	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-20.9	-175.7	-64.8	-27.2	0	0	0	114.3	L159	D157-L159 PolarHBondContact O-N 2.89Å
158	F	96.6	Very high	96.9	Very high	129 Å²	129	62.6 Å²	62.6	57%	0.566	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-6.9	177.6	63.9	-96.9	0	0	0	113.7	A34 M156	A34-F158 HydrophobicContact CB-CE2 4.2Å; M156-F158 HydrophobicContact CB-CD1 4.07Å; M156-F158 HydrophobicContact CB-CE1 3.57Å; M156-F158 HydrophobicContact CB-CE2 4.43Å; M156-F158 HydrophobicContact CB-CZ 3.78Å; M156-F158 HydrophobicContact CG-CE1 3.86Å; M156-F158 HydrophobicContact CG-CZ 3.96Å; M156-F158 PolarHBondContact O-N 3.36Å; M156-F158 VanDerWaalsContact O-N 3.13Å; M156-F158 HydrophobicContact SD-CE1 4.21Å; M156-F158 HydrophobicContact SD-CZ 3.7Å
159	L	97.3	Very high	96.8	Very high	7 Å²	7	67.2 Å²	67.2	4%	0.037	33%	0.331	C	S	.	.			trans	-94.6	127.1	176.9	-61.9	178.8	0	0	0	111.3	T35 M156 D157 Q163 R164 V167	T35-L159 HydrophobicContact CG2-CD1 3.96Å; M156-L159 HydrophobicContact CB-CD1 3.87Å; M156-L159 HydrophobicContact CB-CG 4.02Å; M156-L159 PolarHBondContact O-N 2.85Å; M156-L159 VanDerWaalsContact O-N 3.09Å; M156-L159 HydrophobicContact SD-CD1 4.04Å; D157-L159 PolarHBondContact O-N 2.89Å; L159-Q163 HydrophobicContact CB-CB 4.33Å; L159-Q163 HydrophobicContact CD2-CB 4.06Å; L159-R164 HydrophobicContact CB-CG 4.04Å; L159-R164 PolarHBondContact O-NE 3.33Å; L159-R164 PolarHBondContact O-NH2 3.3Å; L159-V167 HydrophobicContact CD1-CG2 4.15Å
160	S	96.9	Very high	96.8	Very high	58 Å²	58	67.2 Å²	67.2	41%	0.406	33%	0.331	S	S	.	.			trans	-69.7	161.3	164.8	63.1	0	0	0	0	112	K162 Q163 R164	S160-K162 VanDerWaalsContact C-N 3.25Å; S160-K162 PolarHBondContact O-N 3.38Å; S160-Q163 WeakPolarHBondContact O-CA 3.25Å; S160-Q163 WeakPolarHBondContact O-CB 3.36Å; S160-Q163 PolarHBondContact O-N 3.43Å; S160-Q163 WeakPolarHBondContact OG-CG 3.48Å; S160-Q163 PolarHBondContact OG-N 2.93Å; S160-Q163 PolarHBondContact OG-OE1 3.41Å; S160-R164 WeakPolarHBondContact O-CG 3.26Å; S160-R164 PolarHBondContact O-N 3.44Å
161	D	95	Very high	96.9	Very high	136 Å²	136	64 Å²	64	73%	0.727	32%	0.317	S	S	*	.	H	α-helix	trans	-56.1	-40.5	177.1	-64.4	-19.1	0	0	0	112.5	Q163 R164 E165	D161-Q163 VanDerWaalsContact C-N 3.34Å; D161-Q163 PolarHBondContact O-N 3.33Å; D161-R164 WeakPolarHBondContact O-CB 3.31Å; D161-R164 PolarHBondContact O-N 2.95Å; D161-E165 PolarHBondContact O-N 3.49Å
162	K	96	Very high	96.9	Very high	149 Å²	149	62.4 Å²	62.4	65%	0.648	31%	0.31	S	S	*	.	H	α-helix	trans	-61.7	-42.2	175	-174.8	178.7	177.8	-173.2	0	111.5	S160 E165 T166	S160-K162 VanDerWaalsContact C-N 3.25Å; S160-K162 PolarHBondContact O-N 3.38Å; K162-E165 PolarHBondContact O-N 3.08Å; K162-T166 PolarHBondContact O-N 2.58Å; K162-T166 VanDerWaalsContact O-N 3.11Å; K162-T166 PolarHBondContact O-OG1 2.94Å; K162-T166 VanDerWaalsContact O-OG1 3.11Å
163	Q	97.7	Very high	96.9	Very high	70 Å²	70	64.8 Å²	64.8	33%	0.327	32%	0.32	S	S	.	.	H	α-helix	trans	-66	-38.9	176.4	-73.7	165.5	-59.1	0	0	111.5	V31 L159 S160 D161 E165 T166 V167	V31-Q163 HydrophobicContact CG1-CB 4.24Å; V31-Q163 HydrophobicContact CG1-CG 4.35Å; L159-Q163 HydrophobicContact CB-CB 4.33Å; L159-Q163 HydrophobicContact CD2-CB 4.06Å; S160-Q163 WeakPolarHBondContact O-CA 3.25Å; S160-Q163 WeakPolarHBondContact O-CB 3.36Å; S160-Q163 PolarHBondContact O-N 3.43Å; S160-Q163 WeakPolarHBondContact OG-CG 3.48Å; S160-Q163 PolarHBondContact OG-N 2.93Å; S160-Q163 PolarHBondContact OG-OE1 3.41Å; D161-Q163 VanDerWaalsContact C-N 3.34Å; D161-Q163 PolarHBondContact O-N 3.33Å; Q163-E165 VanDerWaalsContact C-N 3.32Å; Q163-E165 PolarHBondContact O-N 2.98Å; Q163-T166 CarbonylContact O-C 3.55Å; Q163-T166 WeakPolarHBondContact O-CB 3.45Å; Q163-T166 PolarHBondContact O-N 2.62Å; Q163-T166 VanDerWaalsContact O-N 3.12Å; Q163-V167 VanDerWaalsContact O-CG2 3.31Å; Q163-V167 WeakPolarHBondContact O-CG2 3.36Å; Q163-V167 PolarHBondContact O-N 3.08Å
164	R	97.4	Very high	96.9	Very high	46 Å²	46	64.7 Å²	64.7	17%	0.174	32%	0.32	C	S	.	.	H	α-helix	trans	-61	-38.9	176	-64.1	169.2	-165.6	-76.3	-6.4	112.2	S153 E154 M156 L159 S160 D161 V167 C168	S153-R164 PolarHBondContact O-NH1 2.82Å; E154-R164 PolarHBondContact O-NH1 3.12Å; M156-R164 PolarHBondContact O-NH2 2.76Å; L159-R164 HydrophobicContact CB-CG 4.04Å; L159-R164 PolarHBondContact O-NE 3.33Å; L159-R164 PolarHBondContact O-NH2 3.3Å; S160-R164 WeakPolarHBondContact O-CG 3.26Å; S160-R164 PolarHBondContact O-N 3.44Å; D161-R164 WeakPolarHBondContact O-CB 3.31Å; D161-R164 PolarHBondContact O-N 2.95Å; R164-V167 WeakPolarHBondContact O-CB 3.45Å; R164-V167 PolarHBondContact O-N 3.16Å; R164-C168 PolarHBondContact O-N 3.1Å; R164-C168 PolarHBondContact O-SG 3.39Å
165	E	95.8	Very high	97	Very high	108 Å²	108	59.5 Å²	59.5	51%	0.505	30%	0.296	S	S	.	.	H	α-helix	trans	-63.6	-44.1	172.7	-166.6	-168.1	159.7	0	0	111.4	D161 K162 Q163 V167 C168 K169	D161-E165 PolarHBondContact O-N 3.49Å; K162-E165 PolarHBondContact O-N 3.08Å; Q163-E165 VanDerWaalsContact C-N 3.32Å; Q163-E165 PolarHBondContact O-N 2.98Å; E165-V167 VanDerWaalsContact C-N 3.33Å; E165-V167 PolarHBondContact O-N 3.32Å; E165-C168 PolarHBondContact O-N 3.02Å; E165-K169 PolarHBondContact O-N 3Å; E165-K169 VanDerWaalsContact OE1-CE 3.27Å; E165-K169 WeakPolarHBondContact OE1-CE 3.31Å; E165-K169 IonicContact OE1-NZ 3.72Å; E165-K169 PolarHBondContact OE1-NZ 2.71Å
166	T	97.7	Very high	97	Very high	25 Å²	25	61.9 Å²	61.9	15%	0.153	30%	0.295	C	S	.	.	H	α-helix	trans	-62.6	-37.8	175.9	-54.6	0	0	0	0	111.9	E28 V31 K162 Q163 C168 K169 A170	E28-T166 HydrophobicContact CB-CG2 4.44Å; E28-T166 HydrophobicContact CG-CG2 3.73Å; V31-T166 HydrophobicContact CG1-CG2 4.25Å; V31-T166 HydrophobicContact CG2-CG2 3.74Å; K162-T166 PolarHBondContact O-N 2.58Å; K162-T166 VanDerWaalsContact O-N 3.11Å; K162-T166 PolarHBondContact O-OG1 2.94Å; K162-T166 VanDerWaalsContact O-OG1 3.11Å; Q163-T166 CarbonylContact O-C 3.55Å; Q163-T166 WeakPolarHBondContact O-CB 3.45Å; Q163-T166 PolarHBondContact O-N 2.62Å; Q163-T166 VanDerWaalsContact O-N 3.12Å; T166-C168 VanDerWaalsContact C-N 3.32Å; T166-C168 PolarHBondContact O-N 3.47Å; T166-K169 PolarHBondContact O-N 2.77Å; T166-A170 VanDerWaalsContact O-CB 3.31Å; T166-A170 WeakPolarHBondContact O-CB 3.36Å; T166-A170 PolarHBondContact O-N 2.91Å
167	V	98	Very high	97	Very high	0 Å²	0	62 Å²	62	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-55.8	-48.1	175.7	171.4	0	0	0	0	110.5	V31 T35 L159 Q163 R164 E165 K169 A170 W171	V31-V167 HydrophobicContact CB-CG2 3.76Å; V31-V167 HydrophobicContact CG1-CG2 4.34Å; V31-V167 HydrophobicContact CG2-CG2 4.12Å; T35-V167 HydrophobicContact CG2-CG1 4.13Å; T35-V167 HydrophobicContact CG2-CG2 3.64Å; L159-V167 HydrophobicContact CD1-CG2 4.15Å; Q163-V167 VanDerWaalsContact O-CG2 3.31Å; Q163-V167 WeakPolarHBondContact O-CG2 3.36Å; Q163-V167 PolarHBondContact O-N 3.08Å; R164-V167 WeakPolarHBondContact O-CB 3.45Å; R164-V167 PolarHBondContact O-N 3.16Å; E165-V167 VanDerWaalsContact C-N 3.33Å; E165-V167 PolarHBondContact O-N 3.32Å; V167-K169 VanDerWaalsContact C-N 3.35Å; V167-K169 PolarHBondContact O-N 3.46Å; V167-A170 PolarHBondContact O-N 3.11Å; V167-W171 VanDerWaalsContact O-CD1 3.31Å; V167-W171 PolarHBondContact O-N 3.12Å
168	C	95.8	Very high	97.1	Very high	21 Å²	21	55.5 Å²	55.5	14%	0.142	26%	0.259	C	S	.	.	H	α-helix	trans	-59	-46.8	-179.9	-65.3	0	0	0	0	111.7	Q150 R164 E165 T166 E172	Q150-C168 VanDerWaalsContact CB-SG 3.6Å; Q150-C168 VanDerWaalsContact CG-SG 3.55Å; R164-C168 PolarHBondContact O-N 3.1Å; R164-C168 PolarHBondContact O-SG 3.39Å; E165-C168 PolarHBondContact O-N 3.02Å; T166-C168 VanDerWaalsContact C-N 3.32Å; T166-C168 PolarHBondContact O-N 3.47Å; C168-E172 WeakPolarHBondContact O-CB 3.41Å; C168-E172 PolarHBondContact O-N 3.36Å
169	K	96.6	Very high	97.1	Very high	97 Å²	97	50.2 Å²	50.2	42%	0.422	24%	0.238	S	C	.	.	H	α-helix	trans	-65.1	-44.5	179.5	-67	174.9	-174.4	169.1	0	111.9	E165 T166 V167 E172 K173	E165-K169 PolarHBondContact O-N 3Å; E165-K169 VanDerWaalsContact OE1-CE 3.27Å; E165-K169 WeakPolarHBondContact OE1-CE 3.31Å; E165-K169 IonicContact OE1-NZ 3.72Å; E165-K169 PolarHBondContact OE1-NZ 2.71Å; T166-K169 PolarHBondContact O-N 2.77Å; V167-K169 VanDerWaalsContact C-N 3.35Å; V167-K169 PolarHBondContact O-N 3.46Å; K169-E172 PolarHBondContact O-N 3.49Å; K169-K173 WeakPolarHBondContact O-CG 3.35Å; K169-K173 PolarHBondContact O-N 3.26Å
170	A	98.3	Very high	97	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-64.7	-46.5	-177.9	0	0	0	0	0	111.7	E28 V31 L32 T166 V167 E172 K173 L174	E28-A170 HydrophobicContact CB-CB 3.84Å; E28-A170 HydrophobicContact CG-CB 4.07Å; V31-A170 HydrophobicContact CG2-CB 3.94Å; L32-A170 HydrophobicContact CD1-CB 4.31Å; L32-A170 HydrophobicContact CD2-CB 3.96Å; L32-A170 HydrophobicContact CG-CB 3.85Å; T166-A170 VanDerWaalsContact O-CB 3.31Å; T166-A170 WeakPolarHBondContact O-CB 3.36Å; T166-A170 PolarHBondContact O-N 2.91Å; V167-A170 PolarHBondContact O-N 3.11Å; A170-E172 VanDerWaalsContact C-N 3.35Å; A170-E172 PolarHBondContact O-N 2.8Å; A170-K173 PolarHBondContact O-N 3.11Å; A170-L174 WeakPolarHBondContact O-CB 3.16Å; A170-L174 PolarHBondContact O-N 2.78Å
171	W	98.3	Very high	96.9	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-68.1	-32.5	177.1	-81.5	103.5	0	0	0	113.2	L32 T35 W36 L96 V100 V145 M149 V167 L174 S175	L32-W171 HydrophobicContact CD2-CD2 3.63Å; L32-W171 VanDerWaalsContact CD2-CE2 3.49Å; L32-W171 HydrophobicContact CD2-CE3 4.27Å; L32-W171 HydrophobicContact CD2-CG 3.82Å; L32-W171 HydrophobicContact CD2-CZ2 3.99Å; T35-W171 PolarHBondContact OG1-NE1 3.38Å; T35-W171 VanDerWaalsContact OG1-NE1 3.08Å; W36-W171 HydrophobicContact CB-CZ2 4.41Å; W36-W171 HydrophobicContact CD2-CH2 4.14Å; W36-W171 AromaticContact CE3-CH2 3.36Å; W36-W171 HydrophobicContact CE3-CH2 3.36Å; W36-W171 AromaticContact CE3-CZ2 3.77Å; W36-W171 HydrophobicContact CE3-CZ2 3.77Å; W36-W171 HydrophobicContact CE3-CZ3 4.49Å; W36-W171 AromaticContact CZ3-CH2 3.71Å; W36-W171 HydrophobicContact CZ3-CH2 3.71Å; W36-W171 HydrophobicContact CZ3-CZ2 4.44Å; W36-W171 HydrophobicContact CZ3-CZ3 4.48Å; L96-W171 HydrophobicContact CB-CZ3 4.2Å; L96-W171 HydrophobicContact CD1-CZ3 4.14Å; L96-W171 HydrophobicContact CD2-CZ3 4.25Å; L96-W171 HydrophobicContact CG-CZ3 4.44Å; V100-W171 HydrophobicContact CG2-CH2 3.76Å; V100-W171 HydrophobicContact CG2-CZ2 4.27Å; V100-W171 HydrophobicContact CG2-CZ3 4.45Å; V145-W171 HydrophobicContact CG1-CB 4.32Å; V145-W171 HydrophobicContact CG1-CE3 3.78Å; M149-W171 HydrophobicContact CB-CB 4.11Å; M149-W171 HydrophobicContact CB-CD2 4.01Å; M149-W171 HydrophobicContact CB-CG 3.61Å; M149-W171 HydrophobicContact CE-CD2 4.36Å; M149-W171 HydrophobicContact CE-CH2 4.46Å; M149-W171 HydrophobicContact CE-CZ2 3.62Å; M149-W171 HydrophobicContact CG-CB 4.33Å; M149-W171 HydrophobicContact CG-CD2 3.51Å; M149-W171 HydrophobicContact CG-CE3 3.94Å; M149-W171 HydrophobicContact CG-CG 3.66Å; M149-W171 HydrophobicContact CG-CZ2 4.34Å; M149-W171 HydrophobicContact SD-CD2 4.48Å; M149-W171 HydrophobicContact SD-CZ2 4.28Å; V167-W171 VanDerWaalsContact O-CD1 3.31Å; V167-W171 PolarHBondContact O-N 3.12Å; W171-L174 HydrophobicContact CE3-CD2 3.85Å; W171-L174 HydrophobicContact CH2-CD2 4.25Å; W171-L174 HydrophobicContact CZ3-CD2 3.64Å; W171-S175 WeakPolarHBondContact O-CB 3.03Å; W171-S175 PolarHBondContact O-N 2.97Å; W171-S175 PolarHBondContact O-OG 2.82Å
172	E	97.1	Very high	96.9	Very high	61 Å²	61	44.4 Å²	44.4	29%	0.285	20%	0.199	S	C	.	.	H	α-helix	trans	-64	-49.4	170.9	-179.2	172.7	-178.2	0	0	111.4	C168 K169 A170 L174 S175 R176	C168-E172 WeakPolarHBondContact O-CB 3.41Å; C168-E172 PolarHBondContact O-N 3.36Å; K169-E172 PolarHBondContact O-N 3.49Å; A170-E172 VanDerWaalsContact C-N 3.35Å; A170-E172 PolarHBondContact O-N 2.8Å; E172-L174 VanDerWaalsContact C-N 3.33Å; E172-L174 PolarHBondContact O-N 2.81Å; E172-S175 PolarHBondContact O-N 2.96Å; E172-S175 PolarHBondContact O-OG 3.1Å; E172-R176 HydrophobicContact CG-CG 4.43Å; E172-R176 WeakPolarHBondContact O-CB 3.31Å; E172-R176 VanDerWaalsContact O-CG 3.25Å; E172-R176 WeakPolarHBondContact O-CG 3.35Å; E172-R176 PolarHBondContact O-N 2.92Å; E172-R176 IonicContact OE1-CZ 2.76Å; E172-R176 VanDerWaalsContact OE1-CZ 3.26Å; E172-R176 IonicContact OE1-NE 3.54Å; E172-R176 PolarHBondContact OE1-NE 2.65Å; E172-R176 IonicContact OE1-NH2 3.8Å; E172-R176 PolarHBondContact OE1-NH2 2.91Å
173	K	97.3	Very high	96.9	Very high	86 Å²	86	39.5 Å²	39.5	37%	0.374	18%	0.179	S	C	.	.	H	α-helix	trans	-59.4	-44.3	176.6	-74.5	177.4	175.6	-176.6	0	111.8	L24 E28 K169 A170 R176 Y177	L24-K173 HydrophobicContact CD2-CB 3.86Å; L24-K173 HydrophobicContact CD2-CD 3.84Å; E28-K173 WeakPolarHBondContact OE1-CD 3.34Å; E28-K173 VanDerWaalsContact OE1-CE 3.26Å; E28-K173 WeakPolarHBondContact OE1-CE 3.32Å; E28-K173 IonicContact OE1-NZ 2.91Å; E28-K173 PolarHBondContact OE1-NZ 3.12Å; E28-K173 IonicContact OE2-NZ 3.26Å; E28-K173 PolarHBondContact OE2-NZ 3.11Å; K169-K173 WeakPolarHBondContact O-CG 3.35Å; K169-K173 PolarHBondContact O-N 3.26Å; A170-K173 PolarHBondContact O-N 3.11Å; K173-R176 PolarHBondContact O-N 3.48Å; K173-Y177 PolarHBondContact O-N 2.81Å
174	L	98.1	Very high	96.7	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-62.6	-48.3	179.8	-167.8	75.1	0	0	0	111.7	L22 L32 A99 V100 A103 A170 W171 E172 R176 Y177 I178	L22-L174 HydrophobicContact CD1-CD1 4.12Å; L22-L174 HydrophobicContact CD2-CD1 3.76Å; L32-L174 HydrophobicContact CD1-CD1 4.29Å; L32-L174 HydrophobicContact CD1-CD2 4.4Å; L32-L174 HydrophobicContact CD2-CD2 4.12Å; A99-L174 HydrophobicContact CB-CD1 3.82Å; A99-L174 HydrophobicContact CB-CD2 4.08Å; A99-L174 HydrophobicContact CB-CG 3.93Å; V100-L174 HydrophobicContact CG2-CD2 3.89Å; A103-L174 HydrophobicContact CB-CD1 4.49Å; A170-L174 WeakPolarHBondContact O-CB 3.16Å; A170-L174 PolarHBondContact O-N 2.78Å; W171-L174 HydrophobicContact CE3-CD2 3.85Å; W171-L174 HydrophobicContact CH2-CD2 4.25Å; W171-L174 HydrophobicContact CZ3-CD2 3.64Å; E172-L174 VanDerWaalsContact C-N 3.33Å; E172-L174 PolarHBondContact O-N 2.81Å; L174-R176 PolarHBondContact O-N 2.72Å; L174-Y177 WeakPolarHBondContact O-CB 3.25Å; L174-Y177 PolarHBondContact O-N 3.32Å; L174-I178 WeakPolarHBondContact O-CG1 3.48Å; L174-I178 PolarHBondContact O-N 3.39Å
175	S	97.9	Very high	96.6	Very high	5 Å²	5	34.7 Å²	34.7	4%	0.035	16%	0.158	C	C	.	.	H	α-helix	trans	-66.5	-37.1	179.2	57.8	0	0	0	0	112.3	W171 E172 I178 V179	W171-S175 WeakPolarHBondContact O-CB 3.03Å; W171-S175 PolarHBondContact O-N 2.97Å; W171-S175 PolarHBondContact O-OG 2.82Å; E172-S175 PolarHBondContact O-N 2.96Å; E172-S175 PolarHBondContact O-OG 3.1Å; S175-I178 WeakPolarHBondContact O-CB 3.05Å; S175-I178 PolarHBondContact O-N 3.37Å; S175-V179 WeakPolarHBondContact O-CG2 3.41Å; S175-V179 PolarHBondContact O-N 2.69Å
176	R	96.8	Very high	96.6	Very high	144 Å²	144	30.9 Å²	30.9	54%	0.543	14%	0.139	S	C	.	.	H	α-helix	trans	-63.5	-40.7	172.6	-74.1	177.3	-178.8	-87.9	2.9	112.5	E172 K173 L174 I178 V179 H180	E172-R176 HydrophobicContact CG-CG 4.43Å; E172-R176 WeakPolarHBondContact O-CB 3.31Å; E172-R176 VanDerWaalsContact O-CG 3.25Å; E172-R176 WeakPolarHBondContact O-CG 3.35Å; E172-R176 PolarHBondContact O-N 2.92Å; E172-R176 IonicContact OE1-CZ 2.76Å; E172-R176 VanDerWaalsContact OE1-CZ 3.26Å; E172-R176 IonicContact OE1-NE 3.54Å; E172-R176 PolarHBondContact OE1-NE 2.65Å; E172-R176 IonicContact OE1-NH2 3.8Å; E172-R176 PolarHBondContact OE1-NH2 2.91Å; K173-R176 PolarHBondContact O-N 3.48Å; L174-R176 PolarHBondContact O-N 2.72Å; R176-I178 VanDerWaalsContact C-N 3.34Å; R176-V179 PolarHBondContact O-N 3.2Å; R176-H180 WeakPolarHBondContact O-CB 2.9Å; R176-H180 PolarHBondContact O-N 3.1Å
177	Y	96.6	Very high	96.4	Very high	10 Å²	10	33.9 Å²	33.9	4%	0.039	15%	0.151	C	C	.	.	H	α-helix	trans	-58.9	-46.8	172.7	166.4	-95.2	0	0	0	111.1	L22 D109 L114 L118 K173 L174 V179 H180 R181	L22-Y177 HydrophobicContact CB-CD2 3.73Å; L22-Y177 HydrophobicContact CB-CE2 3.9Å; L22-Y177 HydrophobicContact CB-CG 4.04Å; L22-Y177 HydrophobicContact CD1-CD1 4.47Å; L22-Y177 HydrophobicContact CD1-CD2 4.45Å; L22-Y177 HydrophobicContact CD1-CG 3.99Å; L22-Y177 HydrophobicContact CD2-CD1 4.45Å; L22-Y177 HydrophobicContact CG-CG 4.44Å; D109-Y177 PolarHBondContact OD1-OH 3.05Å; L114-Y177 HydrophobicContact CD2-CE1 4.01Å; L118-Y177 HydrophobicContact CD1-CE1 4.14Å; K173-Y177 PolarHBondContact O-N 2.81Å; L174-Y177 WeakPolarHBondContact O-CB 3.25Å; L174-Y177 PolarHBondContact O-N 3.32Å; Y177-V179 PolarHBondContact O-N 2.97Å; Y177-H180 PolarHBondContact O-N 3.35Å; Y177-R181 HydrophobicContact CD2-CG 4.21Å; Y177-R181 HydrophobicContact CE1-CG 4.24Å; Y177-R181 HydrophobicContact CE2-CG 3.89Å; Y177-R181 WeakPolarHBondContact O-CG 3.45Å; Y177-R181 PolarHBondContact O-N 2.63Å
178	I	97.3	Very high	96.1	Very high	13 Å²	13	36 Å²	36	7%	0.067	17%	0.172	C	C	.	.	H	α-helix	trans	-57.6	-50.1	178.1	-67.6	168.4	0	0	0	110.9	I95 L96 A99 L118 L174 S175 R176 R181 M182	I95-I178 HydrophobicContact CG2-CD1 4.32Å; I95-I178 HydrophobicContact CG2-CG2 4.02Å; L96-I178 HydrophobicContact CD2-CD1 3.67Å; A99-I178 HydrophobicContact CB-CD1 3.61Å; A99-I178 HydrophobicContact CB-CG1 3.92Å; L118-I178 HydrophobicContact CD1-CG1 4.38Å; L118-I178 HydrophobicContact CD2-CG2 3.87Å; L174-I178 WeakPolarHBondContact O-CG1 3.48Å; L174-I178 PolarHBondContact O-N 3.39Å; S175-I178 WeakPolarHBondContact O-CB 3.05Å; S175-I178 PolarHBondContact O-N 3.37Å; R176-I178 VanDerWaalsContact C-N 3.34Å; I178-R181 PolarHBondContact O-N 2.81Å; I178-M182 HydrophobicContact CG2-SD 4.15Å; I178-M182 WeakPolarHBondContact O-CG 3.36Å; I178-M182 PolarHBondContact O-N 2.88Å
179	V	96.7	Very high	95.5	Very high	18 Å²	18	40.1 Å²	40.1	11%	0.109	19%	0.185	C	C	.	.	H	α-helix	trans	-60.8	-46.7	178.8	164.9	0	0	0	0	111.4	W138 C142 S175 R176 Y177 R181 M182 E183	W138-V179 HydrophobicContact CB-CB 4.31Å; W138-V179 HydrophobicContact CB-CG1 3.49Å; W138-V179 VanDerWaalsContact CB-CG1 3.49Å; W138-V179 HydrophobicContact CB-CG2 3.8Å; W138-V179 HydrophobicContact CD2-CG1 4.27Å; W138-V179 HydrophobicContact CE3-CG1 4.4Å; W138-V179 HydrophobicContact CG-CG1 3.93Å; W138-V179 HydrophobicContact CG-CG2 4.13Å; C142-V179 VanDerWaalsContact SG-CG2 3.55Å; S175-V179 WeakPolarHBondContact O-CG2 3.41Å; S175-V179 PolarHBondContact O-N 2.69Å; R176-V179 PolarHBondContact O-N 3.2Å; Y177-V179 PolarHBondContact O-N 2.97Å; V179-R181 VanDerWaalsContact C-N 3.33Å; V179-R181 PolarHBondContact O-N 3.42Å; V179-M182 CarbonylContact O-C 3.47Å; V179-M182 WeakPolarHBondContact O-CA 3.37Å; V179-M182 WeakPolarHBondContact O-CB 3.27Å; V179-M182 PolarHBondContact O-N 3.4Å; V179-M182 VanDerWaalsContact O-N 3.08Å; V179-E183 HydrophobicContact CG1-CG 4.23Å; V179-E183 WeakPolarHBondContact O-CG 3.37Å; V179-E183 PolarHBondContact O-N 2.97Å
180	H	95.2	Very high	94	Very high	58 Å²	58	42.1 Å²	42.1	27%	0.269	20%	0.2	S	C	.	.	H	α-helix	trans	-58.4	-45.8	179.4	-179.1	93.2	0	0	0	111.6	A20 R176 Y177 M182 E183 E184	A20-H180 HydrophobicContact CB-CB 4.4Å; A20-H180 WeakPolarHBondContact CB-CD2 3.12Å; A20-H180 WeakPolarHBondContact CB-NE2 3.42Å; R176-H180 WeakPolarHBondContact O-CB 2.9Å; R176-H180 PolarHBondContact O-N 3.1Å; Y177-H180 PolarHBondContact O-N 3.35Å; H180-M182 VanDerWaalsContact C-N 3.27Å; H180-M182 PolarHBondContact O-N 3.39Å; H180-E183 WeakPolarHBondContact O-CB 3.23Å; H180-E183 PolarHBondContact O-N 2.8Å; H180-E183 VanDerWaalsContact O-N 3.1Å; H180-E184 IonicContact CD2-OE1 2.83Å; H180-E184 IonicContact NE2-OE1 2.69Å; H180-E184 PolarHBondContact O-N 3.43Å
181	R	94.8	Very high	92	Very high	7 Å²	7	45.7 Å²	45.7	3%	0.026	23%	0.225	C	C	.	.	H	α-helix	trans	-65.4	-30.9	177.3	-64.1	-50.5	-170.7	176.2	-1	112.8	A20 D109 H115 L118 Y177 I178 V179 E184	A20-R181 VanDerWaalsContact O-CZ 3.27Å; A20-R181 PolarHBondContact O-NE 3.33Å; A20-R181 PolarHBondContact O-NH2 2.99Å; D109-R181 IonicContact OD2-CZ 3.48Å; D109-R181 IonicContact OD2-NE 3.45Å; D109-R181 IonicContact OD2-NH2 2.6Å; D109-R181 PolarHBondContact OD2-NH2 2.93Å; H115-R181 PolarHBondContact NE2-NH1 3.47Å; L118-R181 HydrophobicContact CB-CB 3.64Å; L118-R181 HydrophobicContact CD1-CB 3.73Å; L118-R181 HydrophobicContact CD1-CG 4.16Å; L118-R181 HydrophobicContact CG-CB 4.35Å; Y177-R181 HydrophobicContact CD2-CG 4.21Å; Y177-R181 HydrophobicContact CE1-CG 4.24Å; Y177-R181 HydrophobicContact CE2-CG 3.89Å; Y177-R181 WeakPolarHBondContact O-CG 3.45Å; Y177-R181 PolarHBondContact O-N 2.63Å; I178-R181 PolarHBondContact O-N 2.81Å; V179-R181 VanDerWaalsContact C-N 3.33Å; V179-R181 PolarHBondContact O-N 3.42Å; R181-E184 WeakPolarHBondContact CD-OE2 3.36Å; R181-E184 IonicContact CZ-OE1 2.96Å; R181-E184 IonicContact CZ-OE2 2.71Å; R181-E184 IonicContact NE-OE2 3.81Å; R181-E184 IonicContact NH1-OE1 2.69Å; R181-E184 PolarHBondContact NH1-OE1 3.22Å; R181-E184 IonicContact NH1-OE2 3.85Å; R181-E184 PolarHBondContact NH1-OE2 3.19Å
182	M	95.4	Very high	91.7	Very high	14 Å²	14	48 Å²	48	7%	0.069	24%	0.236	C	C	.	.	H	α-helix	trans	-72.1	-36.9	170.8	-71.4	-179.3	58.8	0	0	112.2	L118 L121 G122 W138 I178 V179 H180 E184 G185 Y186	L118-M182 HydrophobicContact CB-CG 4.35Å; L118-M182 HydrophobicContact CD2-CG 4.24Å; L121-M182 HydrophobicContact CD2-CE 4.02Å; L121-M182 HydrophobicContact CD2-SD 3.86Å; L121-M182 HydrophobicContact CG-CE 3.89Å; L121-M182 HydrophobicContact CG-SD 4.28Å; G122-M182 WeakPolarHBondContact CA-O 3.48Å; W138-M182 HydrophobicContact CZ2-CB 4.4Å; W138-M182 HydrophobicContact CZ2-CE 4.21Å; I178-M182 HydrophobicContact CG2-SD 4.15Å; I178-M182 WeakPolarHBondContact O-CG 3.36Å; I178-M182 PolarHBondContact O-N 2.88Å; V179-M182 CarbonylContact O-C 3.47Å; V179-M182 WeakPolarHBondContact O-CA 3.37Å; V179-M182 WeakPolarHBondContact O-CB 3.27Å; V179-M182 PolarHBondContact O-N 3.4Å; V179-M182 VanDerWaalsContact O-N 3.08Å; H180-M182 VanDerWaalsContact C-N 3.27Å; H180-M182 PolarHBondContact O-N 3.39Å; M182-E184 VanDerWaalsContact C-N 3.34Å; M182-E184 PolarHBondContact O-N 3.22Å; M182-G185 PolarHBondContact O-N 2.71Å; M182-Y186 WeakPolarHBondContact O-CB 3.49Å; M182-Y186 PolarHBondContact O-N 3Å
183	E	95.4	Very high	91.4	Very high	47 Å²	47	47.3 Å²	47.3	22%	0.22	23%	0.234	C	C	.	.	H	α-helix	trans	-62.1	-40.9	175.4	-78.2	-178.1	149.9	0	0	111.6	W138 V179 H180 G185 Y186 F187	W138-E183 HydrophobicContact CD2-CG 4.48Å; W138-E183 HydrophobicContact CE3-CG 3.47Å; W138-E183 VanDerWaalsContact CE3-CG 3.47Å; W138-E183 HydrophobicContact CH2-CG 4.26Å; W138-E183 HydrophobicContact CZ3-CB 4.39Å; W138-E183 HydrophobicContact CZ3-CG 3.37Å; V179-E183 HydrophobicContact CG1-CG 4.23Å; V179-E183 WeakPolarHBondContact O-CG 3.37Å; V179-E183 PolarHBondContact O-N 2.97Å; H180-E183 WeakPolarHBondContact O-CB 3.23Å; H180-E183 PolarHBondContact O-N 2.8Å; H180-E183 VanDerWaalsContact O-N 3.1Å; E183-G185 VanDerWaalsContact C-N 3.32Å; E183-G185 PolarHBondContact O-N 2.79Å; E183-Y186 PolarHBondContact O-N 2.85Å; E183-Y186 VanDerWaalsContact O-N 3.15Å; E183-F187 HydrophobicContact CB-CD2 4.02Å; E183-F187 HydrophobicContact CB-CE2 4Å; E183-F187 HydrophobicContact CG-CE2 4.06Å; E183-F187 WeakPolarHBondContact O-CB 3.44Å; E183-F187 WeakPolarHBondContact O-CD2 3.46Å; E183-F187 PolarHBondContact O-N 2.82Å
184	E	94.4	Very high	91	Very high	15 Å²	15	45.1 Å²	45.1	7%	0.07	23%	0.226	C	C	.	.	H	α-helix	trans	-52.9	-50.8	173.6	-69.5	176.6	145.7	0	0	111.3	H115 Y119 H180 R181 M182 F187 G188 R189 S191	H115-E184 IonicContact CD2-OE2 2.65Å; H115-E184 IonicContact NE2-OE2 2.62Å; H115-E184 PolarHBondContact NE2-OE2 2.92Å; H115-E184 VanDerWaalsContact NE2-OE2 3.12Å; Y119-E184 HydrophobicContact CD2-CB 3.93Å; Y119-E184 HydrophobicContact CE2-CB 4.13Å; H180-E184 IonicContact CD2-OE1 2.83Å; H180-E184 IonicContact NE2-OE1 2.69Å; H180-E184 PolarHBondContact O-N 3.43Å; R181-E184 WeakPolarHBondContact CD-OE2 3.36Å; R181-E184 IonicContact CZ-OE1 2.96Å; R181-E184 IonicContact CZ-OE2 2.71Å; R181-E184 IonicContact NE-OE2 3.81Å; R181-E184 IonicContact NH1-OE1 2.69Å; R181-E184 PolarHBondContact NH1-OE1 3.22Å; R181-E184 IonicContact NH1-OE2 3.85Å; R181-E184 PolarHBondContact NH1-OE2 3.19Å; M182-E184 VanDerWaalsContact C-N 3.34Å; M182-E184 PolarHBondContact O-N 3.22Å; E184-F187 PolarHBondContact O-N 3.09Å; E184-G188 WeakPolarHBondContact O-CA 3.49Å; E184-G188 PolarHBondContact O-N 3.28Å; E184-R189 PolarHBondContact O-N 2.98Å; E184-S191 WeakPolarHBondContact OE1-CB 3.26Å
185	G	94.5	Very high	90.6	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-66.8	-36.4	176.8	0	0	0	0	0	113.8	Y119 M182 E183	Y119-G185 WeakPolarHBondContact O-CA 3.36Å; M182-G185 PolarHBondContact O-N 2.71Å; E183-G185 VanDerWaalsContact C-N 3.32Å; E183-G185 PolarHBondContact O-N 2.79Å
186	Y	95.7	Very high	90.2	Very high	27 Å²	27	50.4 Å²	50.4	11%	0.106	25%	0.252	C	S	.	.	H	α-helix	trans	-71.7	-29.5	179.3	-178.5	-88.3	0	0	0	113.5	H125 Q126 A129 F133 P135 W138 M182 E183	H125-Y186 HydrophobicContact CB-CD2 4.16Å; Q126-Y186 HydrophobicContact CB-CD2 4.36Å; Q126-Y186 HydrophobicContact CB-CE2 4.47Å; Q126-Y186 HydrophobicContact CG-CD2 3.77Å; Q126-Y186 HydrophobicContact CG-CE2 4.26Å; Q126-Y186 HydrophobicContact CG-CG 4.08Å; Q126-Y186 VanDerWaalsContact CG-O 3.29Å; Q126-Y186 WeakPolarHBondContact CG-O 3.4Å; Q126-Y186 PolarHBondContact NE2-O 2.89Å; A129-Y186 WeakPolarHBondContact CB-OH 3.34Å; F133-Y186 HydrophobicContact CD1-CE2 4.14Å; F133-Y186 HydrophobicContact CE1-CE2 4.42Å; P135-Y186 HydrophobicContact CG-CD1 4.05Å; P135-Y186 HydrophobicContact CG-CE1 3.53Å; W138-Y186 HydrophobicContact CH2-CD1 4.01Å; W138-Y186 AromaticContact CH2-CD2 3.6Å; W138-Y186 HydrophobicContact CH2-CD2 3.6Å; W138-Y186 HydrophobicContact CH2-CE2 4.26Å; W138-Y186 AromaticContact CH2-CG 3.45Å; W138-Y186 HydrophobicContact CH2-CG 3.45Å; W138-Y186 VanDerWaalsContact CH2-CG 3.45Å; W138-Y186 HydrophobicContact CZ2-CD2 4.24Å; W138-Y186 HydrophobicContact CZ2-CG 4.44Å; W138-Y186 HydrophobicContact CZ3-CD1 4.26Å; W138-Y186 HydrophobicContact CZ3-CG 4.14Å; M182-Y186 WeakPolarHBondContact O-CB 3.49Å; M182-Y186 PolarHBondContact O-N 3Å; E183-Y186 PolarHBondContact O-N 2.85Å; E183-Y186 VanDerWaalsContact O-N 3.15Å
187	F	94.8	Very high	89.7	Confident	89 Å²	89	44.2 Å²	44.2	39%	0.39	23%	0.232	S	C	.	.	H	α-helix	trans	-99.1	-7.9	177.4	-64.9	-62.5	0	0	0	113	P135 E183 E184 R189	P135-F187 HydrophobicContact CB-CE2 4.45Å; P135-F187 HydrophobicContact CB-CZ 3.87Å; P135-F187 HydrophobicContact CG-CE1 3.92Å; P135-F187 HydrophobicContact CG-CE2 4.28Å; P135-F187 HydrophobicContact CG-CZ 3.39Å; E183-F187 HydrophobicContact CB-CD2 4.02Å; E183-F187 HydrophobicContact CB-CE2 4Å; E183-F187 HydrophobicContact CG-CE2 4.06Å; E183-F187 WeakPolarHBondContact O-CB 3.44Å; E183-F187 WeakPolarHBondContact O-CD2 3.46Å; E183-F187 PolarHBondContact O-N 2.82Å; E184-F187 PolarHBondContact O-N 3.09Å; F187-R189 HydrophobicContact CB-CG 3.97Å
188	G	91.3	Very high	89.2	Confident	44 Å²	44	46.6 Å²	46.6	45%	0.454	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.7	35.4	-174.5	0	0	0	0	0	112.8	E184	E184-G188 WeakPolarHBondContact O-CA 3.49Å; E184-G188 PolarHBondContact O-N 3.28Å
189	R	82.3	Confident	88.6	Confident	108 Å²	108	49.2 Å²	49.2	41%	0.408	26%	0.26	S	S	.	.			trans	-82.8	121.6	176	-63.6	177.1	-174.8	159.4	1.2	108.6	Y119 E184 F187 S191	Y119-R189 WeakPolarHBondContact CE2-O 3.28Å; E184-R189 PolarHBondContact O-N 2.98Å; F187-R189 HydrophobicContact CB-CG 3.97Å; R189-S191 PolarHBondContact O-N 3.28Å
190	N	65.9	Low	88	Confident	139 Å²	139	51.8 Å²	51.8	74%	0.743	27%	0.273	S	S	*	.			trans	-70.6	118.8	176.1	-74.9	-20.9	0	0	0	109.5
191	S	55.8	Low	87.3	Confident	74 Å²	74	51.3 Å²	51.3	52%	0.517	27%	0.273	S	S	.	.			trans	-92.2	0	170.5	55.1	0	0	0	0	112.8	H115 E184 R189	H115-S191 PolarHBondContact CE1-OG 2.6Å; H115-S191 PolarHBondContact NE2-OG 3.4Å; H115-S191 VanDerWaalsContact NE2-OG 3.08Å; E184-S191 WeakPolarHBondContact OE1-CB 3.26Å; R189-S191 PolarHBondContact O-N 3.28Å

Retrieved 191 of 191 residues in 179.2 ms (Link to these results)

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