A0A5K4FFC2_SCHMA Loading...

UPAR/Ly6 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FFC2, Species SCHMA (Schistosoma mansoni, Blood fluke), 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	51.8	Low	52.4	Low	206 Å²	206	119.2 Å²	119.2	100%	1.015	61%	0.605	S	S	*	*				0	-47.3	0	-88.1	-176.1	-178.1	0	0	113.9	I3 I4 V5	M1-I3 PolarHBondContact O-N 3.48Å; M1-I4 PolarHBondContact O-N 2.9Å; M1-V5 PolarHBondContact O-N 3.47Å
2	R	46.2	Very low	53.3	Low	208 Å²	208	118.6 Å²	118.6	79%	0.785	60%	0.603	S	S	*	*	H	α-helix	trans	-51.8	-44.7	-179.4	-109.3	-179	-179.8	-178.6	-1	115.2	I4 V5 E6	R2-I4 VanDerWaalsContact C-N 3.29Å; R2-I4 PolarHBondContact O-N 3.45Å; R2-V5 PolarHBondContact O-N 2.94Å; R2-E6 PolarHBondContact O-N 3.38Å; R2-E6 VanDerWaalsContact O-N 3.11Å
3	I	45.8	Very low	53.7	Low	131 Å²	131	114.2 Å²	114.2	67%	0.672	59%	0.586	S	S	*	*	H	α-helix	trans	-62.6	-33.7	-177.7	-60.5	173.2	0	0	0	112.4	M1 S7	M1-I3 PolarHBondContact O-N 3.48Å; I3-S7 WeakPolarHBondContact O-CB 3.4Å; I3-S7 PolarHBondContact O-N 2.87Å; I3-S7 VanDerWaalsContact O-N 3.1Å; I3-S7 PolarHBondContact O-OG 3.31Å
4	I	50	Low	54.2	Low	124 Å²	124	110.9 Å²	110.9	64%	0.636	57%	0.573	S	S	*	*	H	α-helix	trans	-72.8	-38.4	-179.1	-63	170.6	0	0	0	110.6	M1 R2 S8	M1-I4 PolarHBondContact O-N 2.9Å; R2-I4 VanDerWaalsContact C-N 3.29Å; R2-I4 PolarHBondContact O-N 3.45Å; I4-S8 PolarHBondContact O-N 2.94Å; I4-S8 VanDerWaalsContact O-N 3.1Å; I4-S8 PolarHBondContact O-OG 2.91Å
5	V	48.9	Very low	54.5	Low	87 Å²	87	110.3 Å²	110.3	53%	0.527	57%	0.571	S	S	.	*	H	α-helix	trans	-70	-41.2	178.8	179.9	0	0	0	0	111.3	M1 R2 S8 L9	M1-V5 PolarHBondContact O-N 3.47Å; R2-V5 PolarHBondContact O-N 2.94Å; V5-S8 WeakPolarHBondContact CA-OG 3.4Å; V5-S8 PolarHBondContact O-N 3.36Å; V5-S8 PolarHBondContact O-OG 2.99Å; V5-S8 VanDerWaalsContact O-OG 3.04Å; V5-L9 PolarHBondContact O-N 3.32Å; V5-L9 VanDerWaalsContact O-N 3.12Å
6	E	47.7	Very low	54.5	Low	117 Å²	117	111.1 Å²	111.1	55%	0.547	57%	0.571	S	S	.	*	H	α-helix	trans	-67.3	-40	177.1	-70.9	176.2	-177.2	0	0	111.8	R2 S8 L9 I10	R2-E6 PolarHBondContact O-N 3.38Å; R2-E6 VanDerWaalsContact O-N 3.11Å; E6-S8 PolarHBondContact O-N 3.37Å; E6-L9 PolarHBondContact O-N 2.75Å; E6-I10 WeakPolarHBondContact O-CG1 3.43Å; E6-I10 PolarHBondContact O-N 2.93Å; E6-I10 VanDerWaalsContact O-N 3.12Å
7	S	49.6	Very low	54.4	Low	55 Å²	55	111.6 Å²	111.6	39%	0.385	58%	0.575	S	S	.	*	H	α-helix	trans	-65	-39.2	177.3	-57.8	0	0	0	0	112.2	I3 I10 I11	I3-S7 WeakPolarHBondContact O-CB 3.4Å; I3-S7 PolarHBondContact O-N 2.87Å; I3-S7 VanDerWaalsContact O-N 3.1Å; I3-S7 PolarHBondContact O-OG 3.31Å; S7-I10 PolarHBondContact O-N 2.89Å; S7-I11 VanDerWaalsContact O-CG1 3.28Å; S7-I11 WeakPolarHBondContact O-CG1 3.19Å; S7-I11 PolarHBondContact O-N 3.5Å
8	S	53.1	Low	54.4	Low	60 Å²	60	110 Å²	110	42%	0.42	57%	0.566	S	S	.	*	H	α-helix	trans	-70.9	-34.3	178.6	37.9	0	0	0	0	112.6	I4 V5 E6 I11 L12	I4-S8 PolarHBondContact O-N 2.94Å; I4-S8 VanDerWaalsContact O-N 3.1Å; I4-S8 PolarHBondContact O-OG 2.91Å; V5-S8 WeakPolarHBondContact CA-OG 3.4Å; V5-S8 PolarHBondContact O-N 3.36Å; V5-S8 PolarHBondContact O-OG 2.99Å; V5-S8 VanDerWaalsContact O-OG 3.04Å; E6-S8 PolarHBondContact O-N 3.37Å; S8-I11 PolarHBondContact O-N 2.91Å; S8-L12 PolarHBondContact O-N 3.47Å
9	L	57.2	Low	54	Low	115 Å²	115	108.5 Å²	108.5	60%	0.602	57%	0.566	S	S	*	*	H	α-helix	trans	-64.2	-42.9	172	-121.1	118.8	0	0	0	111.9	V5 E6 L12 T13	V5-L9 PolarHBondContact O-N 3.32Å; V5-L9 VanDerWaalsContact O-N 3.12Å; E6-L9 PolarHBondContact O-N 2.75Å; L9-L12 PolarHBondContact O-N 3.39Å; L9-T13 WeakPolarHBondContact O-CG2 3.27Å; L9-T13 PolarHBondContact O-N 2.87Å; L9-T13 PolarHBondContact O-OG1 2.93Å
10	I	63.5	Low	53.8	Low	106 Å²	106	112.5 Å²	112.5	54%	0.544	58%	0.575	S	S	.	*	H	α-helix	trans	-62.2	-47.2	176.8	-66.3	165.9	0	0	0	110.1	E6 S7 L12 T13 V14	E6-I10 WeakPolarHBondContact O-CG1 3.43Å; E6-I10 PolarHBondContact O-N 2.93Å; E6-I10 VanDerWaalsContact O-N 3.12Å; S7-I10 PolarHBondContact O-N 2.89Å; I10-L12 VanDerWaalsContact C-N 3.3Å; I10-L12 PolarHBondContact O-N 2.94Å; I10-T13 WeakPolarHBondContact CA-OG1 3.29Å; I10-T13 PolarHBondContact O-N 3.46Å; I10-T13 PolarHBondContact O-OG1 2.89Å; I10-V14 HydrophobicContact CG2-CG2 4.18Å; I10-V14 WeakPolarHBondContact O-CB 3.42Å; I10-V14 VanDerWaalsContact O-CG2 3.26Å; I10-V14 WeakPolarHBondContact O-CG2 3.43Å; I10-V14 PolarHBondContact O-N 3.45Å
11	I	62.2	Low	53.7	Low	102 Å²	102	110.7 Å²	110.7	52%	0.523	58%	0.577	S	S	.	*	H	α-helix	trans	-58.1	-43.2	177.2	-68.4	165.5	0	0	0	111	S7 S8 V14 L15	S7-I11 VanDerWaalsContact O-CG1 3.28Å; S7-I11 WeakPolarHBondContact O-CG1 3.19Å; S7-I11 PolarHBondContact O-N 3.5Å; S8-I11 PolarHBondContact O-N 2.91Å; I11-V14 PolarHBondContact O-N 2.89Å; I11-L15 HydrophobicContact CG2-CD1 3.59Å; I11-L15 WeakPolarHBondContact O-CD1 3.48Å; I11-L15 PolarHBondContact O-N 3.34Å
12	L	63.4	Low	54	Low	112 Å²	112	108.2 Å²	108.2	59%	0.586	56%	0.561	S	S	*	*	H	α-helix	trans	-63.2	-44.4	178.5	-144	91.4	0	0	0	111.9	S8 L9 I10 L15 Q16	S8-L12 PolarHBondContact O-N 3.47Å; L9-L12 PolarHBondContact O-N 3.39Å; I10-L12 VanDerWaalsContact C-N 3.3Å; I10-L12 PolarHBondContact O-N 2.94Å; L12-L15 PolarHBondContact O-N 3.35Å; L12-Q16 WeakPolarHBondContact O-CG 3.42Å; L12-Q16 PolarHBondContact O-N 2.89Å
13	T	59.1	Low	55	Low	62 Å²	62	99.6 Å²	99.6	38%	0.38	53%	0.534	S	S	.	.	H	α-helix	trans	-66.2	-37.7	177.1	58.2	0	0	0	0	112.4	L9 I10 Q16 L17	L9-T13 WeakPolarHBondContact O-CG2 3.27Å; L9-T13 PolarHBondContact O-N 2.87Å; L9-T13 PolarHBondContact O-OG1 2.93Å; I10-T13 WeakPolarHBondContact CA-OG1 3.29Å; I10-T13 PolarHBondContact O-N 3.46Å; I10-T13 PolarHBondContact O-OG1 2.89Å; T13-Q16 PolarHBondContact O-N 3.47Å; T13-L17 WeakPolarHBondContact O-CB 3.26Å; T13-L17 WeakPolarHBondContact O-CD1 3.21Å; T13-L17 PolarHBondContact O-N 3.41Å
14	V	60.9	Low	56.5	Low	67 Å²	67	94 Å²	94	41%	0.406	51%	0.506	S	S	.	.	H	α-helix	trans	-67.2	-42.2	176	171.9	0	0	0	0	110.7	I10 I11 Q16 L17 I18	I10-V14 HydrophobicContact CG2-CG2 4.18Å; I10-V14 WeakPolarHBondContact O-CB 3.42Å; I10-V14 VanDerWaalsContact O-CG2 3.26Å; I10-V14 WeakPolarHBondContact O-CG2 3.43Å; I10-V14 PolarHBondContact O-N 3.45Å; I11-V14 PolarHBondContact O-N 2.89Å; V14-Q16 VanDerWaalsContact C-N 3.34Å; V14-Q16 PolarHBondContact O-N 3.47Å; V14-L17 WeakPolarHBondContact O-CB 3.35Å; V14-L17 PolarHBondContact O-N 3.42Å; V14-I18 HydrophobicContact CG1-CD1 3.84Å; V14-I18 HydrophobicContact CG1-CG1 4.43Å; V14-I18 WeakPolarHBondContact O-CB 3.43Å; V14-I18 WeakPolarHBondContact O-CD1 3.4Å; V14-I18 WeakPolarHBondContact O-CG1 3.22Å; V14-I18 PolarHBondContact O-N 3.04Å
15	L	58.9	Low	58.1	Low	103 Å²	103	92.6 Å²	92.6	54%	0.539	50%	0.495	S	S	.	.	H	α-helix	trans	-61.9	-40.3	173.1	-99.6	109.7	0	0	0	112.3	I11 L12 I18 S19	I11-L15 HydrophobicContact CG2-CD1 3.59Å; I11-L15 WeakPolarHBondContact O-CD1 3.48Å; I11-L15 PolarHBondContact O-N 3.34Å; L12-L15 PolarHBondContact O-N 3.35Å; L15-I18 PolarHBondContact O-N 2.98Å; L15-S19 PolarHBondContact O-N 2.86Å; L15-S19 PolarHBondContact O-OG 2.68Å
16	Q	54.3	Low	59.9	Low	123 Å²	123	88.5 Å²	88.5	58%	0.575	47%	0.47	S	S	*	.	H	α-helix	trans	-65.4	-39.2	175.2	-74.2	175.9	-18.3	0	0	112.1	L12 T13 V14 S19 Y20	L12-Q16 WeakPolarHBondContact O-CG 3.42Å; L12-Q16 PolarHBondContact O-N 2.89Å; T13-Q16 PolarHBondContact O-N 3.47Å; V14-Q16 VanDerWaalsContact C-N 3.34Å; V14-Q16 PolarHBondContact O-N 3.47Å; Q16-S19 PolarHBondContact O-N 3.43Å; Q16-Y20 PolarHBondContact O-N 3.46Å
17	L	52.4	Low	61.8	Low	120 Å²	120	85.8 Å²	85.8	63%	0.628	46%	0.455	S	S	*	.	H	α-helix	trans	-64.2	-39.5	173.4	-92	150.1	0	0	0	112.2	T13 V14 Y20 A21	T13-L17 WeakPolarHBondContact O-CB 3.26Å; T13-L17 WeakPolarHBondContact O-CD1 3.21Å; T13-L17 PolarHBondContact O-N 3.41Å; V14-L17 WeakPolarHBondContact O-CB 3.35Å; V14-L17 PolarHBondContact O-N 3.42Å; L17-Y20 PolarHBondContact O-N 3.47Å; L17-A21 WeakPolarHBondContact O-CB 3.35Å; L17-A21 PolarHBondContact O-N 2.9Å
18	I	54.3	Low	63.6	Low	82 Å²	82	84.7 Å²	84.7	42%	0.421	45%	0.446	S	S	.	.	H	α-helix	trans	-63.8	-45	175.9	-71.9	163.9	0	0	0	110.4	V14 L15 Y20 A21 F22	V14-I18 HydrophobicContact CG1-CD1 3.84Å; V14-I18 HydrophobicContact CG1-CG1 4.43Å; V14-I18 WeakPolarHBondContact O-CB 3.43Å; V14-I18 WeakPolarHBondContact O-CD1 3.4Å; V14-I18 WeakPolarHBondContact O-CG1 3.22Å; V14-I18 PolarHBondContact O-N 3.04Å; L15-I18 PolarHBondContact O-N 2.98Å; I18-Y20 VanDerWaalsContact C-N 3.32Å; I18-Y20 PolarHBondContact O-N 3.28Å; I18-A21 WeakPolarHBondContact O-CB 3.44Å; I18-A21 PolarHBondContact O-N 2.77Å; I18-A21 VanDerWaalsContact O-N 3.08Å; I18-F22 HydrophobicContact CG2-CD2 4.1Å; I18-F22 HydrophobicContact CG2-CE2 3.33Å; I18-F22 HydrophobicContact CG2-CZ 4.04Å; I18-F22 WeakPolarHBondContact O-CD2 3.25Å; I18-F22 PolarHBondContact O-N 2.87Å
19	S	46.9	Very low	65.1	Low	82 Å²	82	82 Å²	82	57%	0.573	43%	0.427	S	S	*	.	H	α-helix	trans	-62.5	-38.6	176.4	-61.7	0	0	0	0	112.5	L15 Q16 A21 F22	L15-S19 PolarHBondContact O-N 2.86Å; L15-S19 PolarHBondContact O-OG 2.68Å; Q16-S19 PolarHBondContact O-N 3.43Å; S19-A21 VanDerWaalsContact C-N 3.29Å; S19-A21 PolarHBondContact O-N 2.8Å; S19-F22 PolarHBondContact O-N 2.91Å
20	Y	49.5	Very low	66.1	Low	188 Å²	188	81.5 Å²	81.5	74%	0.737	42%	0.424	S	S	*	.	H	α-helix	trans	-71	-25.7	175.1	-146	-90.1	0	0	0	112.5	Q16 L17 I18 F22	Q16-Y20 PolarHBondContact O-N 3.46Å; L17-Y20 PolarHBondContact O-N 3.47Å; I18-Y20 VanDerWaalsContact C-N 3.32Å; I18-Y20 PolarHBondContact O-N 3.28Å; Y20-F22 VanDerWaalsContact C-N 3.31Å; Y20-F22 PolarHBondContact O-N 2.68Å
21	A	53	Low	66.9	Low	75 Å²	75	76.6 Å²	76.6	62%	0.62	40%	0.399	S	S	*	.	H	α-helix	trans	-73.7	-20	177.4	0	0	0	0	0	113.5	L17 I18 S19	L17-A21 WeakPolarHBondContact O-CB 3.35Å; L17-A21 PolarHBondContact O-N 2.9Å; I18-A21 WeakPolarHBondContact O-CB 3.44Å; I18-A21 PolarHBondContact O-N 2.77Å; I18-A21 VanDerWaalsContact O-N 3.08Å; S19-A21 VanDerWaalsContact C-N 3.29Å; S19-A21 PolarHBondContact O-N 2.8Å
22	F	58	Low	67.6	Low	153 Å²	153	72.4 Å²	72.4	67%	0.671	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-14.1	178.2	-68.9	-61.8	0	0	0	114.1	I18 S19 Y20 I24	I18-F22 HydrophobicContact CG2-CD2 4.1Å; I18-F22 HydrophobicContact CG2-CE2 3.33Å; I18-F22 HydrophobicContact CG2-CZ 4.04Å; I18-F22 WeakPolarHBondContact O-CD2 3.25Å; I18-F22 PolarHBondContact O-N 2.87Å; S19-F22 PolarHBondContact O-N 2.91Å; Y20-F22 VanDerWaalsContact C-N 3.31Å; Y20-F22 PolarHBondContact O-N 2.68Å; F22-I24 PolarHBondContact O-N 3.49Å
23	A	66.4	Low	68.3	Low	28 Å²	28	70.8 Å²	70.8	23%	0.231	37%	0.368	C	S	.	.			trans	-83.1	95	175	0	0	0	0	0	110.1	N50	A23-N50 HydrophobicContact CB-CB 4.41Å; A23-N50 WeakPolarHBondContact CB-OD1 3.19Å
24	I	77.5	Confident	69	Low	14 Å²	14	75.1 Å²	75.1	7%	0.072	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	153.8	176.7	73.4	175.3	0	0	0	110.9	F22 N50 C51 D98	F22-I24 PolarHBondContact O-N 3.49Å; I24-N50 PolarHBondContact O-N 3.36Å; I24-C51 HydrophobicContact CG1-CB 3.76Å; I24-C51 WeakPolarHBondContact CG1-O 3.49Å; I24-C51 PolarHBondContact N-O 2.83Å; I24-C51 VanDerWaalsContact O-CB 3.26Å; I24-C51 WeakPolarHBondContact O-CB 3.43Å; I24-C51 PolarHBondContact O-N 2.83Å; I24-D98 WeakPolarHBondContact CA-OD1 3.27Å
25	K	84.3	Confident	69.7	Low	94 Å²	94	78.8 Å²	78.8	41%	0.409	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	130.5	174.9	-54.4	-178.2	178.8	-179.3	0	109.6	I47 L48 H49 D98 L99	K25-I47 HydrophobicContact CB-CG2 4.27Å; K25-L48 CarbonylContact C-O 3.6Å; K25-L48 WeakPolarHBondContact CA-O 3.09Å; K25-H49 WeakPolarHBondContact CD-ND1 3.36Å; K25-H49 WeakPolarHBondContact CE-ND1 3.25Å; K25-H49 WeakPolarHBondContact CG-ND1 2.87Å; K25-D98 PolarHBondContact N-OD1 2.88Å; K25-D98 CarbonylContact O-C 3.58Å; K25-D98 WeakPolarHBondContact O-CA 3.38Å; K25-L99 PolarHBondContact O-N 2.78Å
26	C	86.7	Confident	70.3	Confident	0 Å²	0	75 Å²	75	0%	0	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	147.8	179.7	-59.7	0	0	0	0	111.2	I47 L48 C51 C54 C71	C26-I47 WeakPolarHBondContact O-CA 3.2Å; C26-L48 PolarHBondContact N-O 2.99Å; C26-L48 PolarHBondContact O-N 2.8Å; C26-C51 HydrophobicContact CB-CB 4.33Å; C26-C51 WeakPolarHBondContact SG-CB 3.11Å; C26-C54 VanDerWaalsContact CA-SG 3.5Å; C26-C54 HydrophobicContact CB-CB 3.73Å; C26-C54 WeakPolarHBondContact CB-SG 3.3Å; C26-C54 WeakPolarHBondContact SG-CA 3.39Å; C26-C54 WeakPolarHBondContact SG-CB 3.36Å; C26-C54 PolarHBondContact SG-N 2.71Å; C26-C54 CovalentContact SG-SG 2.03Å; C26-C54 PolarHBondContact SG-SG 2.84Å; C26-C71 HydrophobicContact CB-CB 4.09Å
27	R	86.5	Confident	71	Confident	60 Å²	60	70.7 Å²	70.7	23%	0.226	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	128.6	168.9	-173	174.5	-177.2	-175.2	-1.4	108.9	D45 R69 N101	R27-D45 IonicContact CZ-OD1 2.71Å; R27-D45 IonicContact CZ-OD2 3.49Å; R27-D45 IonicContact NE-OD1 2.71Å; R27-D45 PolarHBondContact NE-OD1 3.47Å; R27-D45 IonicContact NE-OD2 2.78Å; R27-D45 IonicContact NH2-OD1 3.62Å; R27-D45 PolarHBondContact NH2-OD1 2.67Å; R27-D45 IonicContact NH2-OD2 3.36Å; R27-D45 PolarHBondContact NH2-OD2 2.75Å; R27-R69 VanDerWaalsContact O-CB 3.29Å; R27-R69 WeakPolarHBondContact O-CB 3.34Å; R27-N101 PolarHBondContact N-OD1 2.78Å; R27-N101 VanDerWaalsContact N-OD1 3.13Å; R27-N101 PolarHBondContact O-ND2 3.01Å
28	V	87	Confident	71.8	Confident	33 Å²	33	73.9 Å²	73.9	20%	0.2	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	121.3	176.2	-176.7	0	0	0	0	107.6	D45 E46 L48 R69 C71	V28-D45 WeakPolarHBondContact O-CA 3.21Å; V28-E46 HydrophobicContact CB-CG 4.07Å; V28-E46 PolarHBondContact N-O 2.72Å; V28-E46 PolarHBondContact O-N 2.7Å; V28-L48 HydrophobicContact CG2-CB 3.9Å; V28-L48 HydrophobicContact CG2-CD2 4.47Å; V28-R69 WeakPolarHBondContact CA-O 3.42Å; V28-C71 HydrophobicContact CG2-CB 4.03Å
29	C	84.7	Confident	72.4	Confident	2 Å²	2	75 Å²	75	1%	0.014	37%	0.368	C	S	.	.	B	Isolated β-bridge	trans	-153.7	142.8	175.2	47.9	0	0	0	0	111.1	C32 D45 G68 R69	C29-C32 VanDerWaalsContact C-SG 3.58Å; C29-C32 HydrophobicContact CB-CB 4.03Å; C29-C32 WeakPolarHBondContact CB-SG 3.49Å; C29-C32 PolarHBondContact O-SG 2.77Å; C29-C32 WeakPolarHBondContact SG-CB 3.34Å; C29-C32 CovalentContact SG-SG 2.04Å; C29-C32 PolarHBondContact SG-SG 2.85Å; C29-D45 HydrophobicContact CB-CB 4.49Å; C29-G68 CarbonylContact O-C 3.55Å; C29-G68 WeakPolarHBondContact O-CA 3.15Å; C29-R69 PolarHBondContact N-O 2.83Å; C29-R69 PolarHBondContact O-N 2.97Å
30	L	79.8	Confident	73.3	Confident	105 Å²	105	74.7 Å²	74.7	55%	0.55	36%	0.356	S	S	.	.	S	Bend	trans	-154.5	117.5	175	-175	70	0	0	0	109.4	I42	L30-I42 WeakPolarHBondContact O-CB 3.27Å; L30-I42 WeakPolarHBondContact O-CG2 3.13Å
31	P	78.2	Confident	73.9	Confident	3 Å²	3	74.2 Å²	74.2	2%	0.019	36%	0.361	C	S	.	.	S	Bend	cis	-66.7	150.3	-23.3	31.1	-34	0	0	0	111.2	K37 F40	P31-K37 HydrophobicContact CG-CG 4.24Å; P31-K37 WeakPolarHBondContact O-CE 3.35Å; P31-K37 WeakPolarHBondContact O-CG 3.26Å; P31-F40 HydrophobicContact CG-CD2 4.17Å
32	C	77.9	Confident	74.3	Confident	14 Å²	14	74.5 Å²	74.5	10%	0.095	35%	0.351	C	S	.	.			trans	-78.3	-28.1	-179.8	-64.5	0	0	0	0	113.2	C29 K37 E67 R69	C29-C32 VanDerWaalsContact C-SG 3.58Å; C29-C32 HydrophobicContact CB-CB 4.03Å; C29-C32 WeakPolarHBondContact CB-SG 3.49Å; C29-C32 PolarHBondContact O-SG 2.77Å; C29-C32 WeakPolarHBondContact SG-CB 3.34Å; C29-C32 CovalentContact SG-SG 2.04Å; C29-C32 PolarHBondContact SG-SG 2.85Å; C32-K37 WeakPolarHBondContact O-CE 3.31Å; C32-E67 PolarHBondContact N-O 3.1Å; C32-R69 VanDerWaalsContact SG-CG 3.5Å
33	E	77.3	Confident	74.3	Confident	78 Å²	78	72.7 Å²	72.7	36%	0.364	35%	0.353	S	S	.	.	S	Bend	trans	-76.6	131	178.1	-65	-177.6	-153.1	0	0	112.2	K35 Y36 K37	E33-K35 PolarHBondContact O-N 2.6Å; E33-Y36 HydrophobicContact CB-CD2 3.8Å; E33-Y36 HydrophobicContact CB-CE2 4.3Å; E33-Y36 HydrophobicContact CG-CD2 4.4Å; E33-Y36 PolarHBondContact O-N 2.75Å; E33-Y36 VanDerWaalsContact O-N 3.12Å; E33-Y36 WeakPolarHBondContact OE2-CE2 3.37Å; E33-K37 WeakPolarHBondContact O-CG 3.41Å; E33-K37 PolarHBondContact O-N 3.45Å
34	E	75.1	Confident	74.3	Confident	153 Å²	153	78.6 Å²	78.6	72%	0.715	37%	0.373	S	S	*	.	H	α-helix	trans	-60.6	-31.6	-178.9	-66.8	-174.5	176.2	0	0	113.6	Y36 K37 K38	E34-Y36 VanDerWaalsContact C-N 3.26Å; E34-Y36 PolarHBondContact O-N 2.78Å; E34-K37 PolarHBondContact O-N 2.68Å; E34-K38 PolarHBondContact O-N 2.71Å
35	K	74.6	Confident	74.4	Confident	145 Å²	145	80.9 Å²	80.9	63%	0.63	39%	0.386	S	S	*	.	H	α-helix	trans	-57.7	-41.1	177.1	-172.7	-177.1	179	-173.5	0	111.4	E33	E33-K35 PolarHBondContact O-N 2.6Å
36	Y	71.6	Confident	74.5	Confident	23 Å²	23	80.6 Å²	80.6	9%	0.09	39%	0.386	C	S	.	.	H	α-helix	trans	-87.7	-27.5	-179.7	-55.6	-55.1	0	0	0	112.6	E33 E34 K38 L39 F40 Y64 Q65 M66	E33-Y36 HydrophobicContact CB-CD2 3.8Å; E33-Y36 HydrophobicContact CB-CE2 4.3Å; E33-Y36 HydrophobicContact CG-CD2 4.4Å; E33-Y36 PolarHBondContact O-N 2.75Å; E33-Y36 VanDerWaalsContact O-N 3.12Å; E33-Y36 WeakPolarHBondContact OE2-CE2 3.37Å; E34-Y36 VanDerWaalsContact C-N 3.26Å; E34-Y36 PolarHBondContact O-N 2.78Å; Y36-K38 PolarHBondContact O-N 2.78Å; Y36-L39 HydrophobicContact CD1-CD1 3.9Å; Y36-L39 WeakPolarHBondContact O-CB 3.49Å; Y36-L39 PolarHBondContact O-N 2.74Å; Y36-F40 VanDerWaalsContact O-CD2 3.25Å; Y36-F40 WeakPolarHBondContact O-CD2 3.5Å; Y36-F40 PolarHBondContact O-N 2.69Å; Y36-Y64 HydrophobicContact CD1-CD1 4.43Å; Y36-Y64 AromaticContact CE1-CD1 3.61Å; Y36-Y64 HydrophobicContact CE1-CD1 3.61Å; Y36-Y64 HydrophobicContact CE1-CE1 4.45Å; Y36-Y64 HydrophobicContact CE1-CG 4.14Å; Y36-Q65 WeakPolarHBondContact CE2-O 3.19Å; Y36-Q65 PolarHBondContact OH-O 2.67Å; Y36-M66 HydrophobicContact CD2-CG 4.49Å
37	K	70.2	Confident	74.4	Confident	33 Å²	33	85.1 Å²	85.1	14%	0.143	41%	0.409	C	S	.	.	H	α-helix	trans	-54.9	-39.7	175.7	-73.7	-177.9	-178.9	179.9	0	112.4	P31 C32 E33 E34 L39 Q41 D45	P31-K37 HydrophobicContact CG-CG 4.24Å; P31-K37 WeakPolarHBondContact O-CE 3.35Å; P31-K37 WeakPolarHBondContact O-CG 3.26Å; C32-K37 WeakPolarHBondContact O-CE 3.31Å; E33-K37 WeakPolarHBondContact O-CG 3.41Å; E33-K37 PolarHBondContact O-N 3.45Å; E34-K37 PolarHBondContact O-N 2.68Å; K37-L39 VanDerWaalsContact C-N 3.31Å; K37-L39 PolarHBondContact O-N 2.73Å; K37-Q41 PolarHBondContact O-N 2.66Å; K37-Q41 VanDerWaalsContact O-N 3.11Å; K37-D45 IonicContact NZ-OD2 3.12Å; K37-D45 PolarHBondContact NZ-OD2 2.79Å
38	K	68.5	Low	74.3	Confident	186 Å²	186	85.9 Å²	85.9	81%	0.809	42%	0.417	S	S	*	.	H	α-helix	trans	-66.9	-31	176.3	-65.8	-174.4	-178.1	-178.8	0	113.3	E34 Y36	E34-K38 PolarHBondContact O-N 2.71Å; Y36-K38 PolarHBondContact O-N 2.78Å
39	L	66.5	Low	74.1	Confident	107 Å²	107	89.2 Å²	89.2	56%	0.56	43%	0.43	S	S	*	.	H	α-helix	trans	-77.1	-37	-179.3	-73.5	161.8	0	0	0	112.1	Y36 K37	Y36-L39 HydrophobicContact CD1-CD1 3.9Å; Y36-L39 WeakPolarHBondContact O-CB 3.49Å; Y36-L39 PolarHBondContact O-N 2.74Å; K37-L39 VanDerWaalsContact C-N 3.31Å; K37-L39 PolarHBondContact O-N 2.73Å
40	F	66	Low	74	Confident	75 Å²	75	94.8 Å²	94.8	33%	0.329	46%	0.46	S	S	.	.	H	α-helix	trans	-99.5	-8.4	-173.9	-66.5	-76.7	0	0	0	114.7	P31 Y36 I42 M66	P31-F40 HydrophobicContact CG-CD2 4.17Å; Y36-F40 VanDerWaalsContact O-CD2 3.25Å; Y36-F40 WeakPolarHBondContact O-CD2 3.5Å; Y36-F40 PolarHBondContact O-N 2.69Å; F40-I42 HydrophobicContact CB-CD1 4.22Å; F40-I42 HydrophobicContact CB-CG1 4.21Å; F40-I42 WeakPolarHBondContact O-CG1 2.98Å; F40-I42 PolarHBondContact O-N 3.47Å; F40-I42 VanDerWaalsContact O-N 3.07Å; F40-M66 HydrophobicContact CD2-CE 4.36Å; F40-M66 HydrophobicContact CE1-CE 4.13Å; F40-M66 HydrophobicContact CE2-CE 3.29Å; F40-M66 HydrophobicContact CE2-SD 3.95Å; F40-M66 HydrophobicContact CZ-CE 3.16Å; F40-M66 HydrophobicContact CZ-SD 4.17Å
41	Q	62	Low	74.1	Confident	177 Å²	177	90 Å²	90	83%	0.827	44%	0.435	S	S	*	.			trans	55.2	19.9	-174.2	-58.4	-178	4	0	0	114.2	K37	K37-Q41 PolarHBondContact O-N 2.66Å; K37-Q41 VanDerWaalsContact O-N 3.11Å
42	I	61.6	Low	74.3	Confident	82 Å²	82	91.2 Å²	91.2	42%	0.421	45%	0.448	S	S	.	.			trans	-98.1	113.1	177.1	-54.1	171.6	0	0	0	108.1	L30 F40	L30-I42 WeakPolarHBondContact O-CB 3.27Å; L30-I42 WeakPolarHBondContact O-CG2 3.13Å; F40-I42 HydrophobicContact CB-CD1 4.22Å; F40-I42 HydrophobicContact CB-CG1 4.21Å; F40-I42 WeakPolarHBondContact O-CG1 2.98Å; F40-I42 PolarHBondContact O-N 3.47Å; F40-I42 VanDerWaalsContact O-N 3.07Å
43	T	57.5	Low	74.8	Confident	115 Å²	115	90.5 Å²	90.5	71%	0.706	44%	0.443	S	S	*	.			trans	-129.3	45.9	-173.8	48.1	0	0	0	0	112.9
44	K	66	Low	75.3	Confident	152 Å²	152	86.8 Å²	86.8	66%	0.661	43%	0.426	S	S	*	.			trans	-100.6	91.9	165.9	-69	-167.7	178.8	-174.6	0	109.1
45	D	79.8	Confident	75.9	Confident	62 Å²	62	80.1 Å²	80.1	33%	0.332	40%	0.395	S	S	.	.			trans	-104.6	98.8	165.9	-163	-24.2	0	0	0	106.8	R27 V28 C29 K37	R27-D45 IonicContact CZ-OD1 2.71Å; R27-D45 IonicContact CZ-OD2 3.49Å; R27-D45 IonicContact NE-OD1 2.71Å; R27-D45 PolarHBondContact NE-OD1 3.47Å; R27-D45 IonicContact NE-OD2 2.78Å; R27-D45 IonicContact NH2-OD1 3.62Å; R27-D45 PolarHBondContact NH2-OD1 2.67Å; R27-D45 IonicContact NH2-OD2 3.36Å; R27-D45 PolarHBondContact NH2-OD2 2.75Å; V28-D45 WeakPolarHBondContact O-CA 3.21Å; C29-D45 HydrophobicContact CB-CB 4.49Å; K37-D45 IonicContact NZ-OD2 3.12Å; K37-D45 PolarHBondContact NZ-OD2 2.79Å
46	E	86.3	Confident	76.6	Confident	88 Å²	88	73.8 Å²	73.8	41%	0.411	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	155.7	-172.8	64	-172.8	-177.1	0	0	111	V28	V28-E46 HydrophobicContact CB-CG 4.07Å; V28-E46 PolarHBondContact N-O 2.72Å; V28-E46 PolarHBondContact O-N 2.7Å
47	I	86	Confident	77.3	Confident	95 Å²	95	73.8 Å²	73.8	49%	0.487	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	111.2	172.2	-63.2	174.1	0	0	0	106.5	K25 C26 L99	K25-I47 HydrophobicContact CB-CG2 4.27Å; C26-I47 WeakPolarHBondContact O-CA 3.2Å; I47-L99 HydrophobicContact CD1-CD2 4.39Å; I47-L99 HydrophobicContact CG1-CD2 4.35Å; I47-L99 HydrophobicContact CG2-CD2 4.07Å
48	L	84.9	Confident	77.9	Confident	76 Å²	76	76.7 Å²	76.7	40%	0.398	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	138.2	177.2	-161.4	61.6	0	0	0	110	K25 C26 V28 C71	K25-L48 CarbonylContact C-O 3.6Å; K25-L48 WeakPolarHBondContact CA-O 3.09Å; C26-L48 PolarHBondContact N-O 2.99Å; C26-L48 PolarHBondContact O-N 2.8Å; V28-L48 HydrophobicContact CG2-CB 3.9Å; V28-L48 HydrophobicContact CG2-CD2 4.47Å; L48-C71 HydrophobicContact CB-CB 4.33Å; L48-C71 HydrophobicContact CD2-CB 3.82Å
49	H	82.8	Confident	78.4	Confident	102 Å²	102	68.6 Å²	68.6	47%	0.472	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	162.9	175.5	-58.7	-56.8	0	0	0	110.3	K25	K25-H49 WeakPolarHBondContact CD-ND1 3.36Å; K25-H49 WeakPolarHBondContact CE-ND1 3.25Å; K25-H49 WeakPolarHBondContact CG-ND1 2.87Å
50	N	81.5	Confident	78.9	Confident	120 Å²	120	66.2 Å²	66.2	64%	0.642	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	64.5	39.1	176.8	-54.1	-19.9	0	0	0	114.8	A23 I24	A23-N50 HydrophobicContact CB-CB 4.41Å; A23-N50 WeakPolarHBondContact CB-OD1 3.19Å; I24-N50 PolarHBondContact O-N 3.36Å
51	C	82.6	Confident	79.2	Confident	4 Å²	4	66.6 Å²	66.6	3%	0.027	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	152.2	171.9	-55.1	0	0	0	0	110.8	I24 C26 C71	I24-C51 HydrophobicContact CG1-CB 3.76Å; I24-C51 WeakPolarHBondContact CG1-O 3.49Å; I24-C51 PolarHBondContact N-O 2.83Å; I24-C51 VanDerWaalsContact O-CB 3.26Å; I24-C51 WeakPolarHBondContact O-CB 3.43Å; I24-C51 PolarHBondContact O-N 2.83Å; C26-C51 HydrophobicContact CB-CB 4.33Å; C26-C51 WeakPolarHBondContact SG-CB 3.11Å; C51-C71 WeakPolarHBondContact CA-SG 2.92Å; C51-C71 HydrophobicContact CB-CB 4.07Å; C51-C71 WeakPolarHBondContact CB-SG 3.47Å; C51-C71 WeakPolarHBondContact SG-CB 3.19Å; C51-C71 CovalentContact SG-SG 2.01Å; C51-C71 PolarHBondContact SG-SG 2.77Å
52	G	82.1	Confident	79.8	Confident	28 Å²	28	65.5 Å²	65.5	29%	0.289	34%	0.337	S	S	.	.	S	Bend	trans	-90.8	-35.7	166.8	0	0	0	0	0	112.2	L72	G52-L72 CarbonylContact C-O 3.55Å; G52-L72 WeakPolarHBondContact CA-O 2.97Å; G52-L72 PolarHBondContact N-O 3.47Å
53	V	87.4	Confident	80.5	Confident	0 Å²	0	64.8 Å²	64.8	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	145.7	177.7	73	0	0	0	0	110.4	L72 Q74 C75 C94 C95 Y96	V53-L72 HydrophobicContact CG1-CB 3.71Å; V53-L72 PolarHBondContact N-O 3.35Å; V53-L72 PolarHBondContact O-N 2.71Å; V53-Q74 VanDerWaalsContact CG1-C 3.46Å; V53-C75 HydrophobicContact CG1-CB 4.39Å; V53-C75 HydrophobicContact CG2-CB 4.27Å; V53-C94 HydrophobicContact CG2-CB 3.8Å; V53-C95 VanDerWaalsContact CG2-O 3.27Å; V53-C95 WeakPolarHBondContact CG2-O 3.18Å; V53-Y96 HydrophobicContact CB-CD1 4.02Å; V53-Y96 HydrophobicContact CB-CE1 3.84Å; V53-Y96 HydrophobicContact CG2-CD1 3.73Å; V53-Y96 HydrophobicContact CG2-CD2 4.49Å; V53-Y96 HydrophobicContact CG2-CE1 3.52Å; V53-Y96 HydrophobicContact CG2-CE2 4.32Å; V53-Y96 HydrophobicContact CG2-CG 4.22Å
54	C	88.5	Confident	81.3	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	137.2	167.5	-47.4	0	0	0	0	109.6	C26 C94 C95 C100 N101	C26-C54 VanDerWaalsContact CA-SG 3.5Å; C26-C54 HydrophobicContact CB-CB 3.73Å; C26-C54 WeakPolarHBondContact CB-SG 3.3Å; C26-C54 WeakPolarHBondContact SG-CA 3.39Å; C26-C54 WeakPolarHBondContact SG-CB 3.36Å; C26-C54 PolarHBondContact SG-N 2.71Å; C26-C54 CovalentContact SG-SG 2.03Å; C26-C54 PolarHBondContact SG-SG 2.84Å; C54-C94 CarbonylContact O-C 3.55Å; C54-C94 WeakPolarHBondContact O-CA 3.43Å; C54-C95 PolarHBondContact N-O 2.68Å; C54-C95 PolarHBondContact O-N 3.31Å; C54-C100 WeakPolarHBondContact CB-SG 3.47Å; C54-N101 HydrophobicContact CB-CB 3.96Å
55	I	88	Confident	82	Confident	13 Å²	13	64 Å²	64	7%	0.067	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	143.4	177.6	-170.4	166.9	0	0	0	110.2	R69 G70 L72 P76 L84 Y92 N101	I55-R69 VanDerWaalsContact O-CA 3.3Å; I55-R69 WeakPolarHBondContact O-CA 3.11Å; I55-G70 PolarHBondContact N-O 3.23Å; I55-G70 PolarHBondContact O-N 3.46Å; I55-L72 HydrophobicContact CB-CD1 4.14Å; I55-L72 HydrophobicContact CD1-CD1 3.75Å; I55-L72 HydrophobicContact CG2-CD1 3.88Å; I55-L72 HydrophobicContact CG2-CG 4.15Å; I55-P76 HydrophobicContact CD1-CG 4.03Å; I55-L84 HydrophobicContact CD1-CD2 4.47Å; I55-Y92 HydrophobicContact CD1-CD2 3.97Å; I55-Y92 HydrophobicContact CD1-CG 4.14Å; I55-Y92 HydrophobicContact CG1-CD2 4.38Å; I55-N101 PolarHBondContact O-ND2 2.94Å
56	T	88.7	Confident	82	Confident	12 Å²	12	62 Å²	62	7%	0.074	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	118.1	166.5	-49.7	0	0	0	0	107.1	Y58 E67 G68 R69 Y92 D93 N101	T56-Y58 HydrophobicContact CG2-CE1 4.48Å; T56-Y58 HydrophobicContact CG2-CE2 4.04Å; T56-E67 HydrophobicContact CG2-CG 3.86Å; T56-E67 WeakPolarHBondContact CG2-OE1 3.44Å; T56-G68 CarbonylContact C-O 3.57Å; T56-G68 WeakPolarHBondContact CA-O 3.2Å; T56-R69 HydrophobicContact CG2-CG 4.2Å; T56-Y92 CarbonylContact O-C 3.59Å; T56-Y92 WeakPolarHBondContact O-CA 3Å; T56-Y92 WeakPolarHBondContact O-CB 3.38Å; T56-D93 PolarHBondContact N-O 3.27Å; T56-D93 PolarHBondContact O-N 3.32Å; T56-N101 WeakPolarHBondContact OG1-CB 3.16Å
57	A	85.9	Confident	81.9	Confident	22 Å²	22	59 Å²	59	18%	0.182	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	137.7	-178.4	0	0	0	0	0	110	E67 G68 V89	A57-E67 WeakPolarHBondContact O-CA 3.35Å; A57-G68 PolarHBondContact N-O 3.3Å; A57-G68 PolarHBondContact O-N 2.83Å; A57-V89 HydrophobicContact CB-CG1 4.05Å
58	Y	83.5	Confident	81.9	Confident	94 Å²	94	54.9 Å²	54.9	37%	0.369	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	124.5	176.3	-57.3	-86	0	0	0	108.6	T56 M66 E67 N90 K91	T56-Y58 HydrophobicContact CG2-CE1 4.48Å; T56-Y58 HydrophobicContact CG2-CE2 4.04Å; Y58-M66 WeakPolarHBondContact CA-O 3.01Å; Y58-E67 HydrophobicContact CD1-CB 4.33Å; Y58-E67 HydrophobicContact CD1-CG 4.15Å; Y58-E67 HydrophobicContact CE1-CB 4.35Å; Y58-E67 HydrophobicContact CE1-CG 3.83Å; Y58-N90 PolarHBondContact O-N 2.8Å; Y58-K91 HydrophobicContact CD2-CB 4.37Å; Y58-K91 HydrophobicContact CD2-CG 4.43Å; Y58-K91 PolarHBondContact N-O 3.47Å; Y58-K91 PolarHBondContact O-N 3.29Å
59	S	79	Confident	82.1	Confident	16 Å²	16	52 Å²	52	11%	0.112	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	147.1	-178.3	162	0	0	0	0	109.7	Q65 M66 L88	S59-Q65 CarbonylContact O-C 3.58Å; S59-Q65 WeakPolarHBondContact O-CA 3.2Å; S59-M66 PolarHBondContact N-O 3.38Å; S59-M66 PolarHBondContact O-N 2.89Å; S59-L88 WeakPolarHBondContact CA-O 3.21Å; S59-L88 WeakPolarHBondContact CB-O 3.11Å; S59-L88 PolarHBondContact OG-O 2.91Å
60	T	77.9	Confident	82.3	Confident	58 Å²	58	47.9 Å²	47.9	36%	0.356	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	108.8	167.3	-55.5	0	0	0	0	108.3	Y64 N90	T60-Y64 CarbonylContact C-O 3.6Å; T60-Y64 WeakPolarHBondContact CA-O 3.39Å; T60-N90 VanDerWaalsContact CB-ND2 3.33Å; T60-N90 WeakPolarHBondContact CB-ND2 3.07Å; T60-N90 PolarHBondContact N-ND2 2.79Å; T60-N90 PolarHBondContact OG1-ND2 2.83Å
61	F	72.3	Confident	82.6	Confident	82 Å²	82	43.8 Å²	43.8	36%	0.36	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	123.3	179.2	-177.2	-99.6	0	0	0	109.8	G63 Y64 M66 L88	F61-G63 PolarHBondContact O-N 3.39Å; F61-G63 VanDerWaalsContact O-N 3.15Å; F61-Y64 PolarHBondContact N-O 3.31Å; F61-Y64 WeakPolarHBondContact O-CB 3.05Å; F61-Y64 PolarHBondContact O-N 2.78Å; F61-M66 HydrophobicContact CB-CE 3.88Å; F61-M66 HydrophobicContact CB-SD 4.5Å; F61-M66 HydrophobicContact CD1-CE 4.11Å; F61-M66 HydrophobicContact CG-CE 4.46Å; F61-L88 HydrophobicContact CB-CD1 4.15Å; F61-L88 HydrophobicContact CD2-CD1 3.68Å; F61-L88 HydrophobicContact CG-CD1 4.26Å
62	Q	74.5	Confident	82.8	Confident	154 Å²	154	46.5 Å²	46.5	72%	0.72	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.8	35.7	-178.8	-62.5	179.8	-11.9	0	0	113.9	Y64	Q62-Y64 VanDerWaalsContact C-N 3.28Å; Q62-Y64 HydrophobicContact CB-CD2 4.41Å; Q62-Y64 PolarHBondContact O-N 3.35Å
63	G	75.5	Confident	82.9	Confident	68 Å²	68	52.2 Å²	52.2	70%	0.701	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.5	-7.2	-178	0	0	0	0	0	115.2	F61	F61-G63 PolarHBondContact O-N 3.39Å; F61-G63 VanDerWaalsContact O-N 3.15Å
64	Y	75.3	Confident	82.8	Confident	108 Å²	108	59.9 Å²	59.9	42%	0.424	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	126.1	175	-60.7	-76.2	0	0	0	110.9	Y36 T60 F61 Q62	Y36-Y64 HydrophobicContact CD1-CD1 4.43Å; Y36-Y64 AromaticContact CE1-CD1 3.61Å; Y36-Y64 HydrophobicContact CE1-CD1 3.61Å; Y36-Y64 HydrophobicContact CE1-CE1 4.45Å; Y36-Y64 HydrophobicContact CE1-CG 4.14Å; T60-Y64 CarbonylContact C-O 3.6Å; T60-Y64 WeakPolarHBondContact CA-O 3.39Å; F61-Y64 PolarHBondContact N-O 3.31Å; F61-Y64 WeakPolarHBondContact O-CB 3.05Å; F61-Y64 PolarHBondContact O-N 2.78Å; Q62-Y64 VanDerWaalsContact C-N 3.28Å; Q62-Y64 HydrophobicContact CB-CD2 4.41Å; Q62-Y64 PolarHBondContact O-N 3.35Å
65	Q	79.2	Confident	82.6	Confident	142 Å²	142	61.7 Å²	61.7	66%	0.664	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.4	124.3	169.7	-67	-177.3	-6.7	0	0	108.9	Y36 S59	Y36-Q65 WeakPolarHBondContact CE2-O 3.19Å; Y36-Q65 PolarHBondContact OH-O 2.67Å; S59-Q65 CarbonylContact O-C 3.58Å; S59-Q65 WeakPolarHBondContact O-CA 3.2Å
66	M	81.2	Confident	82.3	Confident	21 Å²	21	62.1 Å²	62.1	10%	0.103	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	133	-179.8	-60.9	-177.4	-161.2	0	0	110	Y36 F40 Y58 S59 F61	Y36-M66 HydrophobicContact CD2-CG 4.49Å; F40-M66 HydrophobicContact CD2-CE 4.36Å; F40-M66 HydrophobicContact CE1-CE 4.13Å; F40-M66 HydrophobicContact CE2-CE 3.29Å; F40-M66 HydrophobicContact CE2-SD 3.95Å; F40-M66 HydrophobicContact CZ-CE 3.16Å; F40-M66 HydrophobicContact CZ-SD 4.17Å; Y58-M66 WeakPolarHBondContact CA-O 3.01Å; S59-M66 PolarHBondContact N-O 3.38Å; S59-M66 PolarHBondContact O-N 2.89Å; F61-M66 HydrophobicContact CB-CE 3.88Å; F61-M66 HydrophobicContact CB-SD 4.5Å; F61-M66 HydrophobicContact CD1-CE 4.11Å; F61-M66 HydrophobicContact CG-CE 4.46Å
67	E	83.8	Confident	81.8	Confident	23 Å²	23	65.6 Å²	65.6	11%	0.107	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	125.3	169.3	-169.7	-171.1	151.8	0	0	109.5	C32 T56 A57 Y58 R69	C32-E67 PolarHBondContact N-O 3.1Å; T56-E67 HydrophobicContact CG2-CG 3.86Å; T56-E67 WeakPolarHBondContact CG2-OE1 3.44Å; A57-E67 WeakPolarHBondContact O-CA 3.35Å; Y58-E67 HydrophobicContact CD1-CB 4.33Å; Y58-E67 HydrophobicContact CD1-CG 4.15Å; Y58-E67 HydrophobicContact CE1-CB 4.35Å; Y58-E67 HydrophobicContact CE1-CG 3.83Å; E67-R69 IonicContact OE1-CZ 2.86Å; E67-R69 IonicContact OE1-NE 3.59Å; E67-R69 PolarHBondContact OE1-NE 2.86Å; E67-R69 IonicContact OE1-NH2 3.53Å; E67-R69 PolarHBondContact OE1-NH2 2.88Å; E67-R69 IonicContact OE2-NH2 2.68Å
68	G	85.3	Confident	80.9	Confident	10 Å²	10	73 Å²	73	10%	0.103	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	146.4	170.1	0	0	0	0	0	110.6	C29 T56 A57	C29-G68 CarbonylContact O-C 3.55Å; C29-G68 WeakPolarHBondContact O-CA 3.15Å; T56-G68 CarbonylContact C-O 3.57Å; T56-G68 WeakPolarHBondContact CA-O 3.2Å; A57-G68 PolarHBondContact N-O 3.3Å; A57-G68 PolarHBondContact O-N 2.83Å
69	R	88.8	Confident	79.8	Confident	16 Å²	16	76.8 Å²	76.8	6%	0.06	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	142.6	176.7	-66.5	175.4	-168.8	172.2	9	109.8	R27 V28 C29 C32 I55 T56 E67 N101 T103	R27-R69 VanDerWaalsContact O-CB 3.29Å; R27-R69 WeakPolarHBondContact O-CB 3.34Å; V28-R69 WeakPolarHBondContact CA-O 3.42Å; C29-R69 PolarHBondContact N-O 2.83Å; C29-R69 PolarHBondContact O-N 2.97Å; C32-R69 VanDerWaalsContact SG-CG 3.5Å; I55-R69 VanDerWaalsContact O-CA 3.3Å; I55-R69 WeakPolarHBondContact O-CA 3.11Å; T56-R69 HydrophobicContact CG2-CG 4.2Å; E67-R69 IonicContact OE1-CZ 2.86Å; E67-R69 IonicContact OE1-NE 3.59Å; E67-R69 PolarHBondContact OE1-NE 2.86Å; E67-R69 IonicContact OE1-NH2 3.53Å; E67-R69 PolarHBondContact OE1-NH2 2.88Å; E67-R69 IonicContact OE2-NH2 2.68Å; R69-N101 WeakPolarHBondContact CD-O 3.45Å; R69-N101 HydrophobicContact CG-CB 4.47Å; R69-N101 PolarHBondContact NE-O 3.03Å; R69-N101 PolarHBondContact NH1-O 3.25Å; R69-T103 PolarHBondContact NH2-OG1 3.37Å
70	G	87.4	Confident	78.8	Confident	14 Å²	14	76.3 Å²	76.3	14%	0.144	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	174	-174.1	0	0	0	0	0	113.8	I55	I55-G70 PolarHBondContact N-O 3.23Å; I55-G70 PolarHBondContact O-N 3.46Å
71	C	87.8	Confident	77.8	Confident	34 Å²	34	76.1 Å²	76.1	23%	0.23	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	122.9	175.7	170.8	0	0	0	0	107.4	C26 V28 L48 C51	C26-C71 HydrophobicContact CB-CB 4.09Å; V28-C71 HydrophobicContact CG2-CB 4.03Å; L48-C71 HydrophobicContact CB-CB 4.33Å; L48-C71 HydrophobicContact CD2-CB 3.82Å; C51-C71 WeakPolarHBondContact CA-SG 2.92Å; C51-C71 HydrophobicContact CB-CB 4.07Å; C51-C71 WeakPolarHBondContact CB-SG 3.47Å; C51-C71 WeakPolarHBondContact SG-CB 3.19Å; C51-C71 CovalentContact SG-SG 2.01Å; C51-C71 PolarHBondContact SG-SG 2.77Å
72	L	86.4	Confident	76.7	Confident	61 Å²	61	75.7 Å²	75.7	32%	0.319	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	161.4	177.2	-67.6	171.8	0	0	0	109.7	G52 V53 I55 P76	G52-L72 CarbonylContact C-O 3.55Å; G52-L72 WeakPolarHBondContact CA-O 2.97Å; G52-L72 PolarHBondContact N-O 3.47Å; V53-L72 HydrophobicContact CG1-CB 3.71Å; V53-L72 PolarHBondContact N-O 3.35Å; V53-L72 PolarHBondContact O-N 2.71Å; I55-L72 HydrophobicContact CB-CD1 4.14Å; I55-L72 HydrophobicContact CD1-CD1 3.75Å; I55-L72 HydrophobicContact CG2-CD1 3.88Å; I55-L72 HydrophobicContact CG2-CG 4.15Å; L72-P76 HydrophobicContact CD1-CG 4.49Å
73	L	84.3	Confident	75.4	Confident	148 Å²	148	75.5 Å²	75.5	78%	0.775	41%	0.405	S	S	*	.	S	Bend	trans	-75.4	-37	172.6	-71.2	171.2	0	0	0	111.6
74	Q	84.9	Confident	74.4	Confident	161 Å²	161	75.5 Å²	75.5	75%	0.752	39%	0.388	S	S	*	.	S	Bend	trans	-141.8	150.4	-179	-64.6	-179.1	9.8	0	0	109.7	V53	V53-Q74 VanDerWaalsContact CG1-C 3.46Å
75	C	84.5	Confident	73.5	Confident	39 Å²	39	73.4 Å²	73.4	26%	0.264	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-73.6	130	176.2	-175.8	0	0	0	0	108.6	V53 C94 Y96	V53-C75 HydrophobicContact CG1-CB 4.39Å; V53-C75 HydrophobicContact CG2-CB 4.27Å; C75-C94 HydrophobicContact CB-CB 3.68Å; C75-C94 WeakPolarHBondContact CB-SG 3.4Å; C75-C94 WeakPolarHBondContact SG-CB 3.16Å; C75-C94 CovalentContact SG-SG 2.04Å; C75-C94 PolarHBondContact SG-SG 2.86Å; C75-Y96 WeakPolarHBondContact CB-OH 3.06Å
76	P	82.4	Confident	72	Confident	22 Å²	22	71.7 Å²	71.7	14%	0.143	39%	0.388	C	S	.	.	P	Polyproline II helix	trans	-60.3	151.9	175	21.5	-29.2	0	0	0	111.2	I55 L72 L84 Y92	I55-P76 HydrophobicContact CD1-CG 4.03Å; L72-P76 HydrophobicContact CD1-CG 4.49Å; P76-L84 HydrophobicContact CB-CD1 3.59Å; P76-L84 HydrophobicContact CG-CD1 3.67Å; P76-L84 HydrophobicContact CG-CD2 4.17Å; P76-Y92 HydrophobicContact CG-CD2 4.23Å; P76-Y92 HydrophobicContact CG-CE1 4.44Å; P76-Y92 HydrophobicContact CG-CE2 3.7Å; P76-Y92 PolarHBondContact O-OH 3.34Å
77	P	78.5	Confident	70.6	Confident	84 Å²	84	74.2 Å²	74.2	55%	0.545	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-68.2	139.7	176.9	25.7	-31.4	0	0	0	110.7	H79 S80 Y92	P77-H79 PolarHBondContact O-N 2.85Å; P77-S80 WeakPolarHBondContact CD-OG 3.37Å; P77-S80 PolarHBondContact O-N 3.46Å; P77-S80 PolarHBondContact O-OG 3.47Å; P77-Y92 PolarHBondContact O-OH 2.89Å
78	K	66.2	Low	69.6	Low	179 Å²	179	76.2 Å²	76.2	78%	0.778	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.7	-21.7	-173.4	-73	-174.9	178.1	179.6	0	115.3	Y92	K78-Y92 WeakPolarHBondContact CA-OH 3.44Å; K78-Y92 PolarHBondContact N-OH 3.45Å
79	H	60.2	Low	68.5	Low	173 Å²	173	76.8 Å²	76.8	80%	0.801	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.5	-1.9	-178.3	-56.6	-64.8	0	0	0	114.3	P77 T81	P77-H79 PolarHBondContact O-N 2.85Å; H79-T81 VanDerWaalsContact C-N 3.34Å; H79-T81 PolarHBondContact O-N 3.18Å
80	S	57.5	Low	67.4	Low	5 Å²	5	80.6 Å²	80.6	4%	0.035	45%	0.453	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	23.5	179	70.8	0	0	0	0	114	P77 S82 E83 L84	P77-S80 WeakPolarHBondContact CD-OG 3.37Å; P77-S80 PolarHBondContact O-N 3.46Å; P77-S80 PolarHBondContact O-OG 3.47Å; S80-S82 PolarHBondContact O-N 2.86Å; S80-E83 VanDerWaalsContact CB-OE2 3.29Å; S80-E83 WeakPolarHBondContact CB-OE2 3.2Å; S80-E83 PolarHBondContact O-N 2.88Å; S80-L84 PolarHBondContact O-N 2.77Å
81	T	57.1	Low	67.1	Low	55 Å²	55	85.4 Å²	85.4	34%	0.337	47%	0.47	S	S	.	.	H	α-helix	trans	-53.9	-26	169.6	45.2	0	0	0	0	111.8	H79 Y92	H79-T81 VanDerWaalsContact C-N 3.34Å; H79-T81 PolarHBondContact O-N 3.18Å; T81-Y92 HydrophobicContact CG2-CD1 4.22Å; T81-Y92 HydrophobicContact CG2-CE1 3.94Å
82	S	49	Very low	66.9	Low	72 Å²	72	85 Å²	85	50%	0.503	46%	0.464	S	S	.	.	H	α-helix	trans	-71.3	-22.8	170.5	53.2	0	0	0	0	115.3	S80 P86	S80-S82 PolarHBondContact O-N 2.86Å; S82-P86 WeakPolarHBondContact O-CB 3.07Å; S82-P86 VanDerWaalsContact O-CD 3.23Å; S82-P86 WeakPolarHBondContact O-CD 3.42Å; S82-P86 WeakPolarHBondContact O-CG 3.15Å
83	E	48.6	Very low	66.9	Low	151 Å²	151	85.5 Å²	85.5	71%	0.706	47%	0.467	S	S	*	.	H	α-helix	trans	-94.7	-30.4	-175.6	-61	-178.2	159.9	0	0	112.8	S80	S80-E83 VanDerWaalsContact CB-OE2 3.29Å; S80-E83 WeakPolarHBondContact CB-OE2 3.2Å; S80-E83 PolarHBondContact O-N 2.88Å
84	L	54.5	Low	67.1	Low	67 Å²	67	80.2 Å²	80.2	35%	0.351	44%	0.442	S	S	.	.	H	α-helix	trans	-71.6	-31.3	-177.5	-83	114.5	0	0	0	113.4	I55 P76 S80 Y92	I55-L84 HydrophobicContact CD1-CD2 4.47Å; P76-L84 HydrophobicContact CB-CD1 3.59Å; P76-L84 HydrophobicContact CG-CD1 3.67Å; P76-L84 HydrophobicContact CG-CD2 4.17Å; S80-L84 PolarHBondContact O-N 2.77Å; L84-Y92 HydrophobicContact CD1-CE1 4.37Å
85	T	56.1	Low	67.1	Low	64 Å²	64	73.5 Å²	73.5	39%	0.393	41%	0.412	S	S	.	.			trans	173.3	101.1	163.9	10.4	0	0	0	0	106.1	G87 L88	T85-G87 PolarHBondContact O-N 3.43Å; T85-G87 VanDerWaalsContact O-N 3.16Å; T85-L88 PolarHBondContact O-N 3.47Å; T85-L88 VanDerWaalsContact O-N 3.07Å
86	P	47	Very low	67.1	Low	107 Å²	107	79 Å²	79	70%	0.695	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	123.6	-173.5	18.5	-24.8	0	0	0	110.2	S82	S82-P86 WeakPolarHBondContact O-CB 3.07Å; S82-P86 VanDerWaalsContact O-CD 3.23Å; S82-P86 WeakPolarHBondContact O-CD 3.42Å; S82-P86 WeakPolarHBondContact O-CG 3.15Å
87	G	52.8	Low	67	Low	73 Å²	73	83.6 Å²	83.6	75%	0.753	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	90	-4.2	179.7	0	0	0	0	0	116	T85	T85-G87 PolarHBondContact O-N 3.43Å; T85-G87 VanDerWaalsContact O-N 3.16Å
88	L	61.5	Low	67.1	Low	66 Å²	66	82 Å²	82	35%	0.346	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.3	-50.3	177.5	-157.8	66.6	0	0	0	111.2	S59 F61 T85	S59-L88 WeakPolarHBondContact CA-O 3.21Å; S59-L88 WeakPolarHBondContact CB-O 3.11Å; S59-L88 PolarHBondContact OG-O 2.91Å; F61-L88 HydrophobicContact CB-CD1 4.15Å; F61-L88 HydrophobicContact CD2-CD1 3.68Å; F61-L88 HydrophobicContact CG-CD1 4.26Å; T85-L88 PolarHBondContact O-N 3.47Å; T85-L88 VanDerWaalsContact O-N 3.07Å
89	V	62.3	Low	67.8	Low	21 Å²	21	75 Å²	75	13%	0.127	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	116	-176	-175.7	0	0	0	0	111.7	A57	A57-V89 HydrophobicContact CB-CG1 4.05Å
90	N	66.7	Low	69	Low	97 Å²	97	67.5 Å²	67.5	52%	0.519	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	-38.8	178.6	-70.5	-28.3	0	0	0	112.5	Y58 T60	Y58-N90 PolarHBondContact O-N 2.8Å; T60-N90 VanDerWaalsContact CB-ND2 3.33Å; T60-N90 WeakPolarHBondContact CB-ND2 3.07Å; T60-N90 PolarHBondContact N-ND2 2.79Å; T60-N90 PolarHBondContact OG1-ND2 2.83Å
91	K	80.4	Confident	70.2	Confident	115 Å²	115	67.5 Å²	67.5	50%	0.5	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	146.6	-177	-179.6	179.8	174.6	-170.3	0	109.3	Y58 D93	Y58-K91 HydrophobicContact CD2-CB 4.37Å; Y58-K91 HydrophobicContact CD2-CG 4.43Å; Y58-K91 PolarHBondContact N-O 3.47Å; Y58-K91 PolarHBondContact O-N 3.29Å; K91-D93 WeakPolarHBondContact CE-OD2 3.17Å; K91-D93 IonicContact NZ-OD2 3.69Å
92	Y	84.7	Confident	71.1	Confident	24 Å²	24	70.4 Å²	70.4	9%	0.094	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	153	166.1	66.3	-91.8	0	0	0	111	I55 T56 P76 P77 K78 T81 L84	I55-Y92 HydrophobicContact CD1-CD2 3.97Å; I55-Y92 HydrophobicContact CD1-CG 4.14Å; I55-Y92 HydrophobicContact CG1-CD2 4.38Å; T56-Y92 CarbonylContact O-C 3.59Å; T56-Y92 WeakPolarHBondContact O-CA 3Å; T56-Y92 WeakPolarHBondContact O-CB 3.38Å; P76-Y92 HydrophobicContact CG-CD2 4.23Å; P76-Y92 HydrophobicContact CG-CE1 4.44Å; P76-Y92 HydrophobicContact CG-CE2 3.7Å; P76-Y92 PolarHBondContact O-OH 3.34Å; P77-Y92 PolarHBondContact O-OH 2.89Å; K78-Y92 WeakPolarHBondContact CA-OH 3.44Å; K78-Y92 PolarHBondContact N-OH 3.45Å; T81-Y92 HydrophobicContact CG2-CD1 4.22Å; T81-Y92 HydrophobicContact CG2-CE1 3.94Å; L84-Y92 HydrophobicContact CD1-CE1 4.37Å
93	D	86.1	Confident	71.8	Confident	72 Å²	72	72 Å²	72	39%	0.385	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	136.5	175.8	-65.6	-50.8	0	0	0	108.7	T56 K91	T56-D93 PolarHBondContact N-O 3.27Å; T56-D93 PolarHBondContact O-N 3.32Å; K91-D93 WeakPolarHBondContact CE-OD2 3.17Å; K91-D93 IonicContact NZ-OD2 3.69Å
94	C	87.7	Confident	72.1	Confident	37 Å²	37	68.9 Å²	68.9	25%	0.25	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	148.4	179.7	-67.5	0	0	0	0	111.4	V53 C54 C75	V53-C94 HydrophobicContact CG2-CB 3.8Å; C54-C94 CarbonylContact O-C 3.55Å; C54-C94 WeakPolarHBondContact O-CA 3.43Å; C75-C94 HydrophobicContact CB-CB 3.68Å; C75-C94 WeakPolarHBondContact CB-SG 3.4Å; C75-C94 WeakPolarHBondContact SG-CB 3.16Å; C75-C94 CovalentContact SG-SG 2.04Å; C75-C94 PolarHBondContact SG-SG 2.86Å
95	C	86.2	Confident	71.9	Confident	20 Å²	20	74 Å²	74	14%	0.135	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	148.6	176.2	52.9	0	0	0	0	112.2	V53 C54 Y97 C100	V53-C95 VanDerWaalsContact CG2-O 3.27Å; V53-C95 WeakPolarHBondContact CG2-O 3.18Å; C54-C95 PolarHBondContact N-O 2.68Å; C54-C95 PolarHBondContact O-N 3.31Å; C95-Y97 HydrophobicContact CB-CD1 4.35Å; C95-Y97 HydrophobicContact CB-CE1 3.9Å; C95-C100 HydrophobicContact CB-CB 3.55Å; C95-C100 WeakPolarHBondContact CB-SG 3.05Å; C95-C100 PolarHBondContact O-SG 2.86Å; C95-C100 VanDerWaalsContact O-SG 3.36Å; C95-C100 VanDerWaalsContact SG-C 3.54Å; C95-C100 WeakPolarHBondContact SG-CB 3.13Å; C95-C100 CovalentContact SG-SG 2Å; C95-C100 PolarHBondContact SG-SG 3.47Å
96	Y	83.6	Confident	71.6	Confident	154 Å²	154	75 Å²	75	60%	0.604	39%	0.39	S	S	*	.			trans	-113.1	33.2	-165.8	-61	-86.9	0	0	0	113.4	V53 C75	V53-Y96 HydrophobicContact CB-CD1 4.02Å; V53-Y96 HydrophobicContact CB-CE1 3.84Å; V53-Y96 HydrophobicContact CG2-CD1 3.73Å; V53-Y96 HydrophobicContact CG2-CD2 4.49Å; V53-Y96 HydrophobicContact CG2-CE1 3.52Å; V53-Y96 HydrophobicContact CG2-CE2 4.32Å; V53-Y96 HydrophobicContact CG2-CG 4.22Å; C75-Y96 WeakPolarHBondContact CB-OH 3.06Å
97	Y	80.4	Confident	71.4	Confident	120 Å²	120	74 Å²	74	47%	0.471	38%	0.375	S	S	.	.	S	Bend	trans	-140.5	155.9	179.3	56.4	-84	0	0	0	111.2	C95 L99 C100 V108	C95-Y97 HydrophobicContact CB-CD1 4.35Å; C95-Y97 HydrophobicContact CB-CE1 3.9Å; Y97-L99 PolarHBondContact O-N 2.96Å; Y97-C100 HydrophobicContact CD1-CB 3.72Å; Y97-C100 HydrophobicContact CD2-CB 3.29Å; Y97-C100 HydrophobicContact CE1-CB 3.51Å; Y97-C100 HydrophobicContact CE2-CB 3.05Å; Y97-C100 HydrophobicContact CG-CB 3.61Å; Y97-C100 WeakPolarHBondContact O-CB 3.48Å; Y97-C100 PolarHBondContact O-N 3.43Å; Y97-C100 PolarHBondContact O-SG 3.44Å; Y97-V108 HydrophobicContact CD2-CG2 4.34Å; Y97-V108 HydrophobicContact CE2-CG2 3.67Å
98	D	81.1	Confident	71.3	Confident	49 Å²	49	74 Å²	74	26%	0.262	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.4	127.5	-178.3	-71	-30	0	0	0	112.7	I24 K25 C100 K111	I24-D98 WeakPolarHBondContact CA-OD1 3.27Å; K25-D98 PolarHBondContact N-OD1 2.88Å; K25-D98 CarbonylContact O-C 3.58Å; K25-D98 WeakPolarHBondContact O-CA 3.38Å; D98-C100 PolarHBondContact O-N 3.42Å; D98-C100 VanDerWaalsContact O-N 3.09Å; D98-K111 IonicContact OD2-NZ 3.86Å; D98-K111 PolarHBondContact OD2-NZ 3.24Å
99	L	80.9	Confident	70.9	Confident	33 Å²	33	77.1 Å²	77.1	17%	0.173	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.7	26.6	172.9	-58.7	171.5	0	0	0	112.7	K25 I47 Y97 N101 R102 F107	K25-L99 PolarHBondContact O-N 2.78Å; I47-L99 HydrophobicContact CD1-CD2 4.39Å; I47-L99 HydrophobicContact CG1-CD2 4.35Å; I47-L99 HydrophobicContact CG2-CD2 4.07Å; Y97-L99 PolarHBondContact O-N 2.96Å; L99-N101 PolarHBondContact O-N 3.34Å; L99-R102 WeakPolarHBondContact O-CB 3.43Å; L99-R102 PolarHBondContact O-N 2.9Å; L99-F107 HydrophobicContact CD1-CE1 4.47Å
100	C	84.3	Confident	70.5	Confident	16 Å²	16	82.8 Å²	82.8	11%	0.108	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-30.5	-179.9	62.1	0	0	0	0	113.5	C54 C95 Y97 D98 R102	C54-C100 WeakPolarHBondContact CB-SG 3.47Å; C95-C100 HydrophobicContact CB-CB 3.55Å; C95-C100 WeakPolarHBondContact CB-SG 3.05Å; C95-C100 PolarHBondContact O-SG 2.86Å; C95-C100 VanDerWaalsContact O-SG 3.36Å; C95-C100 VanDerWaalsContact SG-C 3.54Å; C95-C100 WeakPolarHBondContact SG-CB 3.13Å; C95-C100 CovalentContact SG-SG 2Å; C95-C100 PolarHBondContact SG-SG 3.47Å; Y97-C100 HydrophobicContact CD1-CB 3.72Å; Y97-C100 HydrophobicContact CD2-CB 3.29Å; Y97-C100 HydrophobicContact CE1-CB 3.51Å; Y97-C100 HydrophobicContact CE2-CB 3.05Å; Y97-C100 HydrophobicContact CG-CB 3.61Å; Y97-C100 WeakPolarHBondContact O-CB 3.48Å; Y97-C100 PolarHBondContact O-N 3.43Å; Y97-C100 PolarHBondContact O-SG 3.44Å; D98-C100 PolarHBondContact O-N 3.42Å; D98-C100 VanDerWaalsContact O-N 3.09Å; C100-R102 PolarHBondContact O-N 2.91Å; C100-R102 VanDerWaalsContact O-N 3.15Å
101	N	83.4	Confident	69.9	Low	5 Å²	5	82.4 Å²	82.4	3%	0.027	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	13.2	174.9	67.5	-8.7	0	0	0	112.5	R27 C54 I55 T56 R69 L99	R27-N101 PolarHBondContact N-OD1 2.78Å; R27-N101 VanDerWaalsContact N-OD1 3.13Å; R27-N101 PolarHBondContact O-ND2 3.01Å; C54-N101 HydrophobicContact CB-CB 3.96Å; I55-N101 PolarHBondContact O-ND2 2.94Å; T56-N101 WeakPolarHBondContact OG1-CB 3.16Å; R69-N101 WeakPolarHBondContact CD-O 3.45Å; R69-N101 HydrophobicContact CG-CB 4.47Å; R69-N101 PolarHBondContact NE-O 3.03Å; R69-N101 PolarHBondContact NH1-O 3.25Å; L99-N101 PolarHBondContact O-N 3.34Å
102	R	75.6	Confident	68.9	Low	116 Å²	116	81.9 Å²	81.9	44%	0.438	39%	0.389	S	S	.	.			trans	-85.4	131.2	170.9	-163.7	177.2	-176.9	174.4	1.5	109.3	L99 C100 N104	L99-R102 WeakPolarHBondContact O-CB 3.43Å; L99-R102 PolarHBondContact O-N 2.9Å; C100-R102 PolarHBondContact O-N 2.91Å; C100-R102 VanDerWaalsContact O-N 3.15Å; R102-N104 HydrophobicContact CG-CB 4.22Å; R102-N104 PolarHBondContact O-N 2.92Å
103	T	63.7	Low	67.8	Low	106 Å²	106	86.2 Å²	86.2	65%	0.65	41%	0.413	S	S	*	.	S	Bend	trans	-57.1	-15	172.4	31.5	0	0	0	0	114.3	R69 K105	R69-T103 PolarHBondContact NH2-OG1 3.37Å; T103-K105 PolarHBondContact O-N 3.29Å
104	N	54.5	Low	66.6	Low	85 Å²	85	89 Å²	89	46%	0.455	43%	0.426	S	S	.	.			trans	-95	90.7	-176.2	-148.3	-10.6	0	0	0	111.3	R102 L106	R102-N104 HydrophobicContact CG-CB 4.22Å; R102-N104 PolarHBondContact O-N 2.92Å; N104-L106 PolarHBondContact O-N 2.9Å
105	K	51.9	Low	65.6	Low	173 Å²	173	92.1 Å²	92.1	75%	0.752	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-15.2	177.4	-72	-176.2	178.5	178.3	0	114.1	T103 F107 V108	T103-K105 PolarHBondContact O-N 3.29Å; K105-F107 VanDerWaalsContact C-N 3.26Å; K105-F107 PolarHBondContact O-N 3.23Å; K105-V108 PolarHBondContact O-N 3.45Å
106	L	49	Very low	64.6	Low	87 Å²	87	95.3 Å²	95.3	46%	0.455	45%	0.453	S	S	.	.	H	α-helix	trans	-56.6	-37.2	-178	-126.4	78.7	0	0	0	112.9	N104 V108 Q109 Y110	N104-L106 PolarHBondContact O-N 2.9Å; L106-V108 VanDerWaalsContact C-N 3.35Å; L106-V108 PolarHBondContact O-N 2.79Å; L106-Q109 PolarHBondContact O-N 3.39Å; L106-Y110 HydrophobicContact CD2-CE2 3.96Å; L106-Y110 HydrophobicContact CG-CE2 4.13Å; L106-Y110 VanDerWaalsContact O-CD2 3.23Å; L106-Y110 WeakPolarHBondContact O-CD2 3.11Å; L106-Y110 PolarHBondContact O-N 3.37Å
107	F	43.7	Very low	63.6	Low	85 Å²	85	90.4 Å²	90.4	37%	0.373	44%	0.442	S	S	.	.	H	α-helix	trans	-68.6	-31.2	-172.3	-168.6	-107.7	0	0	0	113.7	L99 K105 Q109 Y110 K111	L99-F107 HydrophobicContact CD1-CE1 4.47Å; K105-F107 VanDerWaalsContact C-N 3.26Å; K105-F107 PolarHBondContact O-N 3.23Å; F107-Q109 VanDerWaalsContact C-N 3.34Å; F107-Y110 PolarHBondContact O-N 3.48Å; F107-K111 HydrophobicContact CE1-CD 4.1Å; F107-K111 HydrophobicContact CE1-CG 4.38Å; F107-K111 PolarHBondContact O-N 3.46Å
108	V	49.8	Very low	62.8	Low	72 Å²	72	88.5 Å²	88.5	44%	0.436	45%	0.445	S	S	.	.	H	α-helix	trans	-68.3	-37.2	177.3	-179.2	0	0	0	0	110.7	Y97 K105 L106 K111 L112	Y97-V108 HydrophobicContact CD2-CG2 4.34Å; Y97-V108 HydrophobicContact CE2-CG2 3.67Å; K105-V108 PolarHBondContact O-N 3.45Å; L106-V108 VanDerWaalsContact C-N 3.35Å; L106-V108 PolarHBondContact O-N 2.79Å; V108-K111 PolarHBondContact O-N 3.07Å; V108-L112 PolarHBondContact O-N 3.39Å; V108-L112 VanDerWaalsContact O-N 3.16Å
109	Q	53.1	Low	62	Low	132 Å²	132	91.2 Å²	91.2	62%	0.617	46%	0.459	S	S	*	.	H	α-helix	trans	-65.5	-39.5	177.6	-66.1	178.7	-27.6	0	0	111.5	L106 F107 L112 L113	L106-Q109 PolarHBondContact O-N 3.39Å; F107-Q109 VanDerWaalsContact C-N 3.34Å; Q109-L112 PolarHBondContact O-N 3.22Å; Q109-L113 WeakPolarHBondContact O-CB 3.12Å; Q109-L113 PolarHBondContact O-N 2.95Å
110	Y	54.1	Low	61.3	Low	140 Å²	140	93.8 Å²	93.8	55%	0.549	48%	0.476	S	S	.	.	H	α-helix	trans	-66.4	-42.1	176.6	-79.1	-74.7	0	0	0	113.2	L106 F107 L112 L113 M114	L106-Y110 HydrophobicContact CD2-CE2 3.96Å; L106-Y110 HydrophobicContact CG-CE2 4.13Å; L106-Y110 VanDerWaalsContact O-CD2 3.23Å; L106-Y110 WeakPolarHBondContact O-CD2 3.11Å; L106-Y110 PolarHBondContact O-N 3.37Å; F107-Y110 PolarHBondContact O-N 3.48Å; Y110-L112 VanDerWaalsContact C-N 3.35Å; Y110-L112 PolarHBondContact O-N 3.43Å; Y110-L113 PolarHBondContact O-N 3.32Å; Y110-M114 WeakPolarHBondContact O-CB 3.16Å; Y110-M114 VanDerWaalsContact O-CG 3.29Å; Y110-M114 WeakPolarHBondContact O-CG 3.42Å; Y110-M114 PolarHBondContact O-N 2.96Å
111	K	53.8	Low	60	Low	89 Å²	89	98.3 Å²	98.3	39%	0.387	50%	0.495	S	S	.	.	H	α-helix	trans	-61.6	-43.3	176.3	-83	-170.5	170.5	-175.8	0	111.5	D98 F107 V108 M114 I115	D98-K111 IonicContact OD2-NZ 3.86Å; D98-K111 PolarHBondContact OD2-NZ 3.24Å; F107-K111 HydrophobicContact CE1-CD 4.1Å; F107-K111 HydrophobicContact CE1-CG 4.38Å; F107-K111 PolarHBondContact O-N 3.46Å; V108-K111 PolarHBondContact O-N 3.07Å; K111-M114 PolarHBondContact O-N 3.41Å; K111-I115 WeakPolarHBondContact O-CG1 3.18Å; K111-I115 PolarHBondContact O-N 3.48Å
112	L	59.2	Low	58.9	Low	105 Å²	105	101 Å²	101	55%	0.55	51%	0.514	S	S	.	.	H	α-helix	trans	-64.6	-44.1	177.4	-173.6	66.7	0	0	0	111.8	V108 Q109 Y110 M114 I115 I116	V108-L112 PolarHBondContact O-N 3.39Å; V108-L112 VanDerWaalsContact O-N 3.16Å; Q109-L112 PolarHBondContact O-N 3.22Å; Y110-L112 VanDerWaalsContact C-N 3.35Å; Y110-L112 PolarHBondContact O-N 3.43Å; L112-M114 VanDerWaalsContact C-N 3.31Å; L112-M114 PolarHBondContact O-N 3.16Å; L112-I115 PolarHBondContact O-N 3.12Å; L112-I116 HydrophobicContact CD1-CD1 4.48Å; L112-I116 HydrophobicContact CG-CD1 4Å; L112-I116 WeakPolarHBondContact O-CG1 3.13Å; L112-I116 PolarHBondContact O-N 3.11Å
113	L	61.7	Low	58.2	Low	114 Å²	114	101 Å²	101	60%	0.597	52%	0.522	S	S	*	.	H	α-helix	trans	-60.2	-41.1	177.2	-163.8	87.4	0	0	0	111.6	Q109 Y110 I116 S117	Q109-L113 WeakPolarHBondContact O-CB 3.12Å; Q109-L113 PolarHBondContact O-N 2.95Å; Y110-L113 PolarHBondContact O-N 3.32Å; L113-I116 PolarHBondContact O-N 3.28Å; L113-S117 WeakPolarHBondContact O-CB 3.46Å; L113-S117 PolarHBondContact O-N 3.24Å
114	M	60.2	Low	57.7	Low	132 Å²	132	102.3 Å²	102.3	65%	0.65	52%	0.519	S	S	*	.	H	α-helix	trans	-65.1	-41.4	176.6	-74	-64.5	-66.6	0	0	112.2	Y110 K111 L112 S117 C118	Y110-M114 WeakPolarHBondContact O-CB 3.16Å; Y110-M114 VanDerWaalsContact O-CG 3.29Å; Y110-M114 WeakPolarHBondContact O-CG 3.42Å; Y110-M114 PolarHBondContact O-N 2.96Å; K111-M114 PolarHBondContact O-N 3.41Å; L112-M114 VanDerWaalsContact C-N 3.31Å; L112-M114 PolarHBondContact O-N 3.16Å; M114-S117 PolarHBondContact O-N 3.29Å; M114-C118 VanDerWaalsContact O-CB 3.32Å; M114-C118 WeakPolarHBondContact O-CB 3.5Å; M114-C118 PolarHBondContact O-N 3.39Å
115	I	67	Low	57.7	Low	102 Å²	102	103 Å²	103	52%	0.523	52%	0.522	S	S	.	.	H	α-helix	trans	-63.5	-46.9	175.6	-68.1	167.5	0	0	0	110.5	K111 L112 S117 C118 L119	K111-I115 WeakPolarHBondContact O-CG1 3.18Å; K111-I115 PolarHBondContact O-N 3.48Å; L112-I115 PolarHBondContact O-N 3.12Å; I115-S117 VanDerWaalsContact C-N 3.35Å; I115-S117 PolarHBondContact O-N 3.47Å; I115-C118 PolarHBondContact O-N 3.18Å; I115-L119 HydrophobicContact CG2-CD1 3.99Å; I115-L119 HydrophobicContact CG2-CG 4.41Å; I115-L119 WeakPolarHBondContact O-CG 3.21Å; I115-L119 PolarHBondContact O-N 3.36Å
116	I	66.9	Low	57.8	Low	87 Å²	87	98.3 Å²	98.3	45%	0.446	51%	0.507	S	S	.	.	H	α-helix	trans	-59.9	-46.9	177.3	-67.4	168.4	0	0	0	110.2	L112 L113 C118 L119 V120	L112-I116 HydrophobicContact CD1-CD1 4.48Å; L112-I116 HydrophobicContact CG-CD1 4Å; L112-I116 WeakPolarHBondContact O-CG1 3.13Å; L112-I116 PolarHBondContact O-N 3.11Å; L113-I116 PolarHBondContact O-N 3.28Å; I116-C118 VanDerWaalsContact C-N 3.32Å; I116-C118 PolarHBondContact O-N 3.1Å; I116-L119 PolarHBondContact O-N 3.24Å; I116-V120 HydrophobicContact CG2-CG2 4.34Å; I116-V120 VanDerWaalsContact O-CG2 3.28Å; I116-V120 WeakPolarHBondContact O-CG2 3.25Å; I116-V120 PolarHBondContact O-N 3.24Å
117	S	62.2	Low	58	Low	51 Å²	51	97.6 Å²	97.6	36%	0.357	51%	0.506	S	S	.	.	H	α-helix	trans	-58.7	-44	177.1	-176.1	0	0	0	0	111.5	L113 M114 I115 V120 H121	L113-S117 WeakPolarHBondContact O-CB 3.46Å; L113-S117 PolarHBondContact O-N 3.24Å; M114-S117 PolarHBondContact O-N 3.29Å; I115-S117 VanDerWaalsContact C-N 3.35Å; I115-S117 PolarHBondContact O-N 3.47Å; S117-V120 PolarHBondContact O-N 3.36Å; S117-H121 WeakPolarHBondContact O-CB 3.17Å; S117-H121 PolarHBondContact O-N 3.05Å; S117-H121 PolarHBondContact O-ND1 3.31Å; S117-H121 PolarHBondContact OG-ND1 2.79Å
118	C	63.9	Low	58.2	Low	80 Å²	80	96.2 Å²	96.2	54%	0.541	50%	0.503	S	S	.	.	H	α-helix	trans	-66.7	-39.8	179.6	-154.9	0	0	0	0	112.4	M114 I115 I116 H121 S122	M114-C118 VanDerWaalsContact O-CB 3.32Å; M114-C118 WeakPolarHBondContact O-CB 3.5Å; M114-C118 PolarHBondContact O-N 3.39Å; I115-C118 PolarHBondContact O-N 3.18Å; I116-C118 VanDerWaalsContact C-N 3.32Å; I116-C118 PolarHBondContact O-N 3.1Å; C118-H121 PolarHBondContact O-N 3.41Å; C118-S122 WeakPolarHBondContact O-CB 3.38Å; C118-S122 PolarHBondContact O-N 2.98Å; C118-S122 PolarHBondContact O-OG 2.72Å
119	L	63.3	Low	58.1	Low	105 Å²	105	101.3 Å²	101.3	55%	0.55	51%	0.514	S	S	.	.	H	α-helix	trans	-63.5	-45.2	174.4	-73.6	172.1	0	0	0	111.4	I115 I116 S122 L123	I115-L119 HydrophobicContact CG2-CD1 3.99Å; I115-L119 HydrophobicContact CG2-CG 4.41Å; I115-L119 WeakPolarHBondContact O-CG 3.21Å; I115-L119 PolarHBondContact O-N 3.36Å; I116-L119 PolarHBondContact O-N 3.24Å; L119-S122 PolarHBondContact O-N 3.22Å; L119-L123 WeakPolarHBondContact O-CB 3.45Å; L119-L123 PolarHBondContact O-N 3.29Å
120	V	65.5	Low	58	Low	87 Å²	87	102.1 Å²	102.1	53%	0.527	51%	0.513	S	S	.	.	H	α-helix	trans	-63.4	-43.7	177.5	172.6	0	0	0	0	111.1	I116 S117 L123 F124	I116-V120 HydrophobicContact CG2-CG2 4.34Å; I116-V120 VanDerWaalsContact O-CG2 3.28Å; I116-V120 WeakPolarHBondContact O-CG2 3.25Å; I116-V120 PolarHBondContact O-N 3.24Å; S117-V120 PolarHBondContact O-N 3.36Å; V120-L123 PolarHBondContact O-N 3.12Å; V120-F124 WeakPolarHBondContact O-CB 3.19Å; V120-F124 PolarHBondContact O-N 3.46Å
121	H	58.6	Low	57.7	Low	112 Å²	112	99.1 Å²	99.1	52%	0.519	51%	0.506	S	S	.	.	H	α-helix	trans	-65.1	-40.3	176.3	-78.1	79.9	0	0	0	112.1	S117 C118 F124 I125	S117-H121 WeakPolarHBondContact O-CB 3.17Å; S117-H121 PolarHBondContact O-N 3.05Å; S117-H121 PolarHBondContact O-ND1 3.31Å; S117-H121 PolarHBondContact OG-ND1 2.79Å; C118-H121 PolarHBondContact O-N 3.41Å; H121-F124 PolarHBondContact O-N 3.46Å; H121-I125 VanDerWaalsContact O-CG1 3.28Å; H121-I125 WeakPolarHBondContact O-CG1 3.32Å; H121-I125 PolarHBondContact O-N 2.86Å
122	S	60.4	Low	57.3	Low	61 Å²	61	100.9 Å²	100.9	43%	0.427	52%	0.518	S	S	.	.	H	α-helix	trans	-64.6	-45	176.7	-59.5	0	0	0	0	111.3	C118 L119 F124 I125 V126	C118-S122 WeakPolarHBondContact O-CB 3.38Å; C118-S122 PolarHBondContact O-N 2.98Å; C118-S122 PolarHBondContact O-OG 2.72Å; L119-S122 PolarHBondContact O-N 3.22Å; S122-F124 VanDerWaalsContact C-N 3.32Å; S122-F124 PolarHBondContact O-N 3.04Å; S122-I125 PolarHBondContact O-N 2.93Å; S122-V126 WeakPolarHBondContact O-CB 3.37Å; S122-V126 VanDerWaalsContact O-CG2 3.25Å; S122-V126 WeakPolarHBondContact O-CG2 3.3Å; S122-V126 PolarHBondContact O-N 3.42Å
123	L	59.2	Low	56.9	Low	116 Å²	116	100.1 Å²	100.1	61%	0.607	51%	0.514	S	S	*	.	H	α-helix	trans	-57.9	-44.2	172	-98.2	144.7	0	0	0	111.5	L119 V120 V126 V127	L119-L123 WeakPolarHBondContact O-CB 3.45Å; L119-L123 PolarHBondContact O-N 3.29Å; V120-L123 PolarHBondContact O-N 3.12Å; L123-V126 PolarHBondContact O-N 3.01Å; L123-V127 WeakPolarHBondContact O-CB 3.3Å; L123-V127 VanDerWaalsContact O-CG2 3.27Å; L123-V127 WeakPolarHBondContact O-CG2 3.24Å; L123-V127 PolarHBondContact O-N 3.26Å
124	F	54	Low	56.1	Low	134 Å²	134	99 Å²	99	59%	0.588	51%	0.508	S	S	*	.	H	α-helix	trans	-64.3	-41.5	179	-167.4	-106.8	0	0	0	112.4	V120 H121 S122 N128	V120-F124 WeakPolarHBondContact O-CB 3.19Å; V120-F124 PolarHBondContact O-N 3.46Å; H121-F124 PolarHBondContact O-N 3.46Å; S122-F124 VanDerWaalsContact C-N 3.32Å; S122-F124 PolarHBondContact O-N 3.04Å; F124-N128 WeakPolarHBondContact CD1-ND2 3.36Å; F124-N128 WeakPolarHBondContact CE1-ND2 2.9Å; F124-N128 WeakPolarHBondContact CZ-ND2 2.85Å; F124-N128 VanDerWaalsContact O-CB 3.29Å; F124-N128 WeakPolarHBondContact O-CB 3.32Å; F124-N128 PolarHBondContact O-N 2.68Å; F124-N128 PolarHBondContact O-ND2 2.87Å
125	I	54.7	Low	55.5	Low	99 Å²	99	99 Å²	99	51%	0.508	51%	0.506	S	S	.	.	H	α-helix	trans	-64.8	-42.3	175.5	-68.1	166.6	0	0	0	110.8	H121 S122 N128 R129	H121-I125 VanDerWaalsContact O-CG1 3.28Å; H121-I125 WeakPolarHBondContact O-CG1 3.32Å; H121-I125 PolarHBondContact O-N 2.86Å; S122-I125 PolarHBondContact O-N 2.93Å; I125-N128 PolarHBondContact O-N 2.87Å; I125-R129 WeakPolarHBondContact O-CB 2.89Å; I125-R129 PolarHBondContact O-N 2.9Å
126	V	54	Low	54.4	Low	74 Å²	74	96.9 Å²	96.9	45%	0.448	50%	0.499	S	S	.	.	H	α-helix	trans	-64	-49.2	178.2	171.2	0	0	0	0	110.4	S122 L123 N128 R129 Y130	S122-V126 WeakPolarHBondContact O-CB 3.37Å; S122-V126 VanDerWaalsContact O-CG2 3.25Å; S122-V126 WeakPolarHBondContact O-CG2 3.3Å; S122-V126 PolarHBondContact O-N 3.42Å; L123-V126 PolarHBondContact O-N 3.01Å; V126-N128 PolarHBondContact O-N 3.35Å; V126-R129 PolarHBondContact O-N 3.35Å; V126-Y130 HydrophobicContact CG1-CD2 3.62Å; V126-Y130 HydrophobicContact CG1-CE2 3.43Å; V126-Y130 VanDerWaalsContact CG1-CE2 3.43Å; V126-Y130 WeakPolarHBondContact O-CD2 2.92Å; V126-Y130 PolarHBondContact O-N 3.36Å
127	V	53.6	Low	53.6	Low	72 Å²	72	96.8 Å²	96.8	44%	0.436	50%	0.499	S	S	.	.	H	α-helix	trans	-60.1	-45.2	176.8	172	0	0	0	0	110.9	L123 R129 Y130 I131	L123-V127 WeakPolarHBondContact O-CB 3.3Å; L123-V127 VanDerWaalsContact O-CG2 3.27Å; L123-V127 WeakPolarHBondContact O-CG2 3.24Å; L123-V127 PolarHBondContact O-N 3.26Å; V127-R129 PolarHBondContact O-N 3.35Å; V127-Y130 PolarHBondContact O-N 3.47Å; V127-I131 HydrophobicContact CG1-CD1 3.8Å; V127-I131 HydrophobicContact CG1-CG1 4.43Å; V127-I131 WeakPolarHBondContact O-CG1 3.1Å; V127-I131 PolarHBondContact O-N 2.89Å
128	N	47.4	Very low	52.8	Low	57 Å²	57	99.4 Å²	99.4	31%	0.305	51%	0.505	S	S	.	.	H	α-helix	trans	-64.2	-39.2	176.9	-79.8	-31.3	0	0	0	112.6	F124 I125 V126 I131 L132	F124-N128 WeakPolarHBondContact CD1-ND2 3.36Å; F124-N128 WeakPolarHBondContact CE1-ND2 2.9Å; F124-N128 WeakPolarHBondContact CZ-ND2 2.85Å; F124-N128 VanDerWaalsContact O-CB 3.29Å; F124-N128 WeakPolarHBondContact O-CB 3.32Å; F124-N128 PolarHBondContact O-N 2.68Å; F124-N128 PolarHBondContact O-ND2 2.87Å; I125-N128 PolarHBondContact O-N 2.87Å; V126-N128 PolarHBondContact O-N 3.35Å; N128-I131 PolarHBondContact O-N 3.04Å; N128-L132 WeakPolarHBondContact O-CB 3.22Å; N128-L132 PolarHBondContact O-N 3.1Å
129	R	48.3	Very low	51.8	Low	178 Å²	178	100.9 Å²	100.9	67%	0.672	51%	0.507	S	S	*	.	H	α-helix	trans	-63	-41.4	172.6	-85.2	-171.4	175.1	-154.7	0.1	111.5	I125 V126 V127 L132 I133	I125-R129 WeakPolarHBondContact O-CB 2.89Å; I125-R129 PolarHBondContact O-N 2.9Å; V126-R129 PolarHBondContact O-N 3.35Å; V127-R129 PolarHBondContact O-N 3.35Å; R129-L132 PolarHBondContact O-N 2.97Å; R129-I133 VanDerWaalsContact O-CB 3.32Å; R129-I133 WeakPolarHBondContact O-CB 3.34Å; R129-I133 WeakPolarHBondContact O-CD1 3.37Å; R129-I133 WeakPolarHBondContact O-CG1 3.26Å; R129-I133 PolarHBondContact O-N 3.43Å
130	Y	50.5	Low	51	Low	149 Å²	149	103 Å²	103	58%	0.584	51%	0.512	S	S	*	.	H	α-helix	trans	-63.9	-40.5	174.6	-81.4	-69.8	0	0	0	111.8	V126 V127 I133 I134	V126-Y130 HydrophobicContact CG1-CD2 3.62Å; V126-Y130 HydrophobicContact CG1-CE2 3.43Å; V126-Y130 VanDerWaalsContact CG1-CE2 3.43Å; V126-Y130 WeakPolarHBondContact O-CD2 2.92Å; V126-Y130 PolarHBondContact O-N 3.36Å; V127-Y130 PolarHBondContact O-N 3.47Å; Y130-I133 PolarHBondContact O-N 3.05Å; Y130-I134 VanDerWaalsContact O-CB 3.22Å; Y130-I134 WeakPolarHBondContact O-CB 3.42Å; Y130-I134 WeakPolarHBondContact O-CD1 3.39Å; Y130-I134 WeakPolarHBondContact O-CG1 3.33Å; Y130-I134 PolarHBondContact O-N 3.09Å
131	I	48	Very low	49.9	Very low	77 Å²	77	105.2 Å²	105.2	40%	0.395	52%	0.515	S	S	.	.	H	α-helix	trans	-65.3	-43.9	175.5	-66.2	167.3	0	0	0	110.9	V127 N128 I133 I134 Q135	V127-I131 HydrophobicContact CG1-CD1 3.8Å; V127-I131 HydrophobicContact CG1-CG1 4.43Å; V127-I131 WeakPolarHBondContact O-CG1 3.1Å; V127-I131 PolarHBondContact O-N 2.89Å; N128-I131 PolarHBondContact O-N 3.04Å; I131-I133 VanDerWaalsContact C-N 3.26Å; I131-I133 PolarHBondContact O-N 3.34Å; I131-I134 PolarHBondContact O-N 2.68Å; I131-Q135 HydrophobicContact CG2-CG 4.18Å; I131-Q135 VanDerWaalsContact O-CB 3.3Å; I131-Q135 WeakPolarHBondContact O-CB 3.35Å; I131-Q135 WeakPolarHBondContact O-CG 2.93Å; I131-Q135 PolarHBondContact O-N 3.36Å
132	L	45.7	Very low	49.4	Very low	126 Å²	126	103.7 Å²	103.7	66%	0.66	51%	0.513	S	S	*	.	H	α-helix	trans	-69.6	-17.2	176.4	-105.7	136.7	0	0	0	114.2	N128 R129 P136	N128-L132 WeakPolarHBondContact O-CB 3.22Å; N128-L132 PolarHBondContact O-N 3.1Å; R129-L132 PolarHBondContact O-N 2.97Å; L132-P136 WeakPolarHBondContact O-CD 3.09Å; L132-P136 WeakPolarHBondContact O-CG 3.4Å
133	I	49.4	Very low	48.9	Very low	90 Å²	90	104.7 Å²	104.7	46%	0.462	51%	0.513	S	S	.	.	H	α-helix	trans	-92.4	-41.2	173	-69.7	165.7	0	0	0	109.6	R129 Y130 I131 P136 I137	R129-I133 VanDerWaalsContact O-CB 3.32Å; R129-I133 WeakPolarHBondContact O-CB 3.34Å; R129-I133 WeakPolarHBondContact O-CD1 3.37Å; R129-I133 WeakPolarHBondContact O-CG1 3.26Å; R129-I133 PolarHBondContact O-N 3.43Å; Y130-I133 PolarHBondContact O-N 3.05Å; I131-I133 VanDerWaalsContact C-N 3.26Å; I131-I133 PolarHBondContact O-N 3.34Å; I133-P136 WeakPolarHBondContact O-CD 3.34Å; I133-I137 HydrophobicContact CG2-CD1 3.41Å; I133-I137 VanDerWaalsContact CG2-CD1 3.41Å; I133-I137 HydrophobicContact CG2-CG1 4.34Å; I133-I137 VanDerWaalsContact O-CB 3.26Å; I133-I137 WeakPolarHBondContact O-CB 3.14Å; I133-I137 WeakPolarHBondContact O-CD1 3.28Å; I133-I137 WeakPolarHBondContact O-CG1 3.48Å; I133-I137 PolarHBondContact O-N 2.97Å
134	I	46.3	Very low	48.1	Very low	90 Å²	90	105 Å²	105	46%	0.462	51%	0.509	S	S	.	.	H	α-helix	trans	-69.9	-41.1	-179.7	-68	165.5	0	0	0	111	Y130 I131 I137 Q138	Y130-I134 VanDerWaalsContact O-CB 3.22Å; Y130-I134 WeakPolarHBondContact O-CB 3.42Å; Y130-I134 WeakPolarHBondContact O-CD1 3.39Å; Y130-I134 WeakPolarHBondContact O-CG1 3.33Å; Y130-I134 PolarHBondContact O-N 3.09Å; I131-I134 PolarHBondContact O-N 2.68Å; I134-I137 PolarHBondContact O-N 2.82Å; I134-Q138 HydrophobicContact CG2-CG 3.87Å; I134-Q138 VanDerWaalsContact O-CB 3.32Å; I134-Q138 WeakPolarHBondContact O-CB 3.4Å; I134-Q138 WeakPolarHBondContact O-CG 3.13Å; I134-Q138 PolarHBondContact O-N 3.4Å
135	Q	47.6	Very low	47.5	Very low	131 Å²	131	107.7 Å²	107.7	61%	0.612	52%	0.516	S	S	*	.	H	α-helix	trans	-59.6	-52.1	179.3	-79.1	-172.6	-19.6	0	0	112.8	I131 Q138 L139	I131-Q135 HydrophobicContact CG2-CG 4.18Å; I131-Q135 VanDerWaalsContact O-CB 3.3Å; I131-Q135 WeakPolarHBondContact O-CB 3.35Å; I131-Q135 WeakPolarHBondContact O-CG 2.93Å; I131-Q135 PolarHBondContact O-N 3.36Å; Q135-Q138 PolarHBondContact O-N 3.13Å; Q135-L139 VanDerWaalsContact O-CB 3.3Å; Q135-L139 WeakPolarHBondContact O-CB 3.45Å; Q135-L139 PolarHBondContact O-N 2.73Å
136	P	43	Very low	47.1	Very low	59 Å²	59	109.9 Å²	109.9	38%	0.383	52%	0.522	S	S	.	.	H	α-helix	trans	-74	-23.7	175.7	28.6	-33.7	0	0	0	113	L132 I133 F140	L132-P136 WeakPolarHBondContact O-CD 3.09Å; L132-P136 WeakPolarHBondContact O-CG 3.4Å; I133-P136 WeakPolarHBondContact O-CD 3.34Å; P136-F140 WeakPolarHBondContact O-CA 3.19Å; P136-F140 WeakPolarHBondContact O-CB 3.29Å; P136-F140 PolarHBondContact O-N 2.78Å
137	I	50	Low	47	Very low	84 Å²	84	110 Å²	110	43%	0.431	52%	0.522	S	S	.	.	H	α-helix	trans	-72.5	-37.6	172.5	-71.3	172.5	0	0	0	111.3	I133 I134 K141	I133-I137 HydrophobicContact CG2-CD1 3.41Å; I133-I137 VanDerWaalsContact CG2-CD1 3.41Å; I133-I137 HydrophobicContact CG2-CG1 4.34Å; I133-I137 VanDerWaalsContact O-CB 3.26Å; I133-I137 WeakPolarHBondContact O-CB 3.14Å; I133-I137 WeakPolarHBondContact O-CD1 3.28Å; I133-I137 WeakPolarHBondContact O-CG1 3.48Å; I133-I137 PolarHBondContact O-N 2.97Å; I134-I137 PolarHBondContact O-N 2.82Å; I137-K141 WeakPolarHBondContact O-CB 3.48Å; I137-K141 WeakPolarHBondContact O-CG 3.32Å; I137-K141 PolarHBondContact O-N 2.83Å
138	Q	45.6	Very low	46.6	Very low	107 Å²	107	111.3 Å²	111.3	50%	0.5	52%	0.524	S	S	.	.	H	α-helix	trans	-69.5	-40	171.8	-66.7	-68.8	-14.6	0	0	110.1	I134 Q135 K141 V142	I134-Q138 HydrophobicContact CG2-CG 3.87Å; I134-Q138 VanDerWaalsContact O-CB 3.32Å; I134-Q138 WeakPolarHBondContact O-CB 3.4Å; I134-Q138 WeakPolarHBondContact O-CG 3.13Å; I134-Q138 PolarHBondContact O-N 3.4Å; Q135-Q138 PolarHBondContact O-N 3.13Å; Q138-K141 PolarHBondContact O-N 2.97Å; Q138-V142 WeakPolarHBondContact O-CB 3.32Å; Q138-V142 VanDerWaalsContact O-CG2 3.24Å; Q138-V142 WeakPolarHBondContact O-CG2 3.27Å; Q138-V142 PolarHBondContact O-N 3.5Å
139	L	43.5	Very low	46.6	Very low	110 Å²	110	111.6 Å²	111.6	58%	0.576	53%	0.527	S	S	*	.	H	α-helix	trans	-64.4	-41.8	172.9	-142.9	89.1	0	0	0	111.4	Q135 V142 I143	Q135-L139 VanDerWaalsContact O-CB 3.3Å; Q135-L139 WeakPolarHBondContact O-CB 3.45Å; Q135-L139 PolarHBondContact O-N 2.73Å; L139-V142 PolarHBondContact O-N 3.49Å; L139-I143 HydrophobicContact CD2-CD1 3.75Å; L139-I143 HydrophobicContact CG-CD1 3.89Å; L139-I143 WeakPolarHBondContact O-CA 3.32Å; L139-I143 WeakPolarHBondContact O-CB 3.33Å; L139-I143 WeakPolarHBondContact O-CD1 3.37Å; L139-I143 WeakPolarHBondContact O-CG1 3.28Å; L139-I143 PolarHBondContact O-N 3.04Å
140	F	46.2	Very low	46.6	Very low	150 Å²	150	107.1 Å²	107.1	66%	0.658	52%	0.52	S	S	*	.	H	α-helix	trans	-69.2	-34.2	175.2	-107.9	-91.3	0	0	0	111.4	P136 K144	P136-F140 WeakPolarHBondContact O-CA 3.19Å; P136-F140 WeakPolarHBondContact O-CB 3.29Å; P136-F140 PolarHBondContact O-N 2.78Å; F140-K144 WeakPolarHBondContact O-CA 3.39Å; F140-K144 WeakPolarHBondContact O-CB 3.25Å; F140-K144 PolarHBondContact O-N 3.42Å
141	K	41.8	Very low	46.2	Very low	133 Å²	133	107.4 Å²	107.4	58%	0.578	52%	0.521	S	S	*	.	H	α-helix	trans	-67.2	-44.6	171.9	-82.8	-176.4	177.9	-176.4	0	110.4	I137 Q138 K144 W145	I137-K141 WeakPolarHBondContact O-CB 3.48Å; I137-K141 WeakPolarHBondContact O-CG 3.32Å; I137-K141 PolarHBondContact O-N 2.83Å; Q138-K141 PolarHBondContact O-N 2.97Å; K141-K144 PolarHBondContact O-N 3Å; K141-W145 WeakPolarHBondContact O-CB 3.37Å; K141-W145 PolarHBondContact O-N 3.26Å
142	V	47.8	Very low	45.9	Very low	80 Å²	80	110.8 Å²	110.8	49%	0.485	53%	0.533	S	S	.	.	H	α-helix	trans	-68.3	-39.1	177.6	173	0	0	0	0	111.9	Q138 L139 K146	Q138-V142 WeakPolarHBondContact O-CB 3.32Å; Q138-V142 VanDerWaalsContact O-CG2 3.24Å; Q138-V142 WeakPolarHBondContact O-CG2 3.27Å; Q138-V142 PolarHBondContact O-N 3.5Å; L139-V142 PolarHBondContact O-N 3.49Å; V142-K146 VanDerWaalsContact O-CB 3.27Å; V142-K146 WeakPolarHBondContact O-CB 3.33Å; V142-K146 WeakPolarHBondContact O-CG 3.48Å; V142-K146 PolarHBondContact O-N 3.08Å
143	I	49.6	Very low	45.9	Very low	82 Å²	82	108.7 Å²	108.7	42%	0.421	52%	0.522	S	S	.	.	H	α-helix	trans	-71.9	-41.4	175.6	-68.5	165.1	0	0	0	109.9	L139 K146 V147	L139-I143 HydrophobicContact CD2-CD1 3.75Å; L139-I143 HydrophobicContact CG-CD1 3.89Å; L139-I143 WeakPolarHBondContact O-CA 3.32Å; L139-I143 WeakPolarHBondContact O-CB 3.33Å; L139-I143 WeakPolarHBondContact O-CD1 3.37Å; L139-I143 WeakPolarHBondContact O-CG1 3.28Å; L139-I143 PolarHBondContact O-N 3.04Å; I143-K146 CarbonylContact O-C 3.47Å; I143-K146 PolarHBondContact O-N 3.01Å; I143-V147 HydrophobicContact CG2-CG2 3.92Å; I143-V147 WeakPolarHBondContact O-CA 3.41Å; I143-V147 WeakPolarHBondContact O-CB 3.38Å; I143-V147 WeakPolarHBondContact O-CG2 3.38Å; I143-V147 PolarHBondContact O-N 3.15Å
144	K	43.8	Very low	45.9	Very low	123 Å²	123	107.5 Å²	107.5	54%	0.535	52%	0.519	S	S	.	.	H	α-helix	trans	-67.3	-37.5	174.7	-173.3	175.4	176.5	178.2	0	111.1	F140 K141 E148	F140-K144 WeakPolarHBondContact O-CA 3.39Å; F140-K144 WeakPolarHBondContact O-CB 3.25Å; F140-K144 PolarHBondContact O-N 3.42Å; K141-K144 PolarHBondContact O-N 3Å; K144-E148 WeakPolarHBondContact CE-OE1 3.23Å; K144-E148 HydrophobicContact CG-CG 4.23Å; K144-E148 IonicContact NZ-OE1 2.82Å; K144-E148 WeakPolarHBondContact O-CA 3.34Å; K144-E148 WeakPolarHBondContact O-CB 3.29Å; K144-E148 VanDerWaalsContact O-CG 3.25Å; K144-E148 WeakPolarHBondContact O-CG 3.47Å; K144-E148 PolarHBondContact O-N 3.43Å
145	W	42	Very low	46	Very low	190 Å²	190	107.9 Å²	107.9	72%	0.72	52%	0.519	S	S	*	.	H	α-helix	trans	-69.4	-39.6	173.5	-136	70.4	0	0	0	111.3	K141 V149	K141-W145 WeakPolarHBondContact O-CB 3.37Å; K141-W145 PolarHBondContact O-N 3.26Å; W145-V149 HydrophobicContact CD2-CG2 4.36Å; W145-V149 HydrophobicContact CE3-CG2 4.06Å; W145-V149 HydrophobicContact CZ3-CG2 4.34Å; W145-V149 WeakPolarHBondContact O-CB 3.48Å; W145-V149 WeakPolarHBondContact O-CG2 3.36Å; W145-V149 PolarHBondContact O-N 3.41Å
146	K	46.2	Very low	45.9	Very low	146 Å²	146	106.5 Å²	106.5	64%	0.635	52%	0.515	S	S	*	.	H	α-helix	trans	-69.3	-38.7	173.1	-86.5	-175.2	171.8	-176.9	0	112.5	V142 I143 V150	V142-K146 VanDerWaalsContact O-CB 3.27Å; V142-K146 WeakPolarHBondContact O-CB 3.33Å; V142-K146 WeakPolarHBondContact O-CG 3.48Å; V142-K146 PolarHBondContact O-N 3.08Å; I143-K146 CarbonylContact O-C 3.47Å; I143-K146 PolarHBondContact O-N 3.01Å; K146-V150 WeakPolarHBondContact O-CA 3.36Å; K146-V150 WeakPolarHBondContact O-CB 3.26Å; K146-V150 WeakPolarHBondContact O-CG2 3.48Å; K146-V150 PolarHBondContact O-N 3.34Å
147	V	50.4	Low	46	Very low	76 Å²	76	108.1 Å²	108.1	46%	0.461	52%	0.52	S	S	.	.	H	α-helix	trans	-73.3	-40.1	178.1	171.3	0	0	0	0	109.2	I143 V150 Y151	I143-V147 HydrophobicContact CG2-CG2 3.92Å; I143-V147 WeakPolarHBondContact O-CA 3.41Å; I143-V147 WeakPolarHBondContact O-CB 3.38Å; I143-V147 WeakPolarHBondContact O-CG2 3.38Å; I143-V147 PolarHBondContact O-N 3.15Å; V147-V150 PolarHBondContact O-N 2.71Å; V147-Y151 HydrophobicContact CG1-CD2 4.32Å; V147-Y151 WeakPolarHBondContact O-CA 3.21Å; V147-Y151 WeakPolarHBondContact O-CB 3.46Å; V147-Y151 PolarHBondContact O-N 2.96Å
148	E	44.7	Very low	45.8	Very low	100 Å²	100	110.1 Å²	110.1	47%	0.467	53%	0.529	S	S	.	.	H	α-helix	trans	-67.4	-41.5	172.3	-75.8	177.1	174.6	0	0	110.7	K144 Y151 F152	K144-E148 WeakPolarHBondContact CE-OE1 3.23Å; K144-E148 HydrophobicContact CG-CG 4.23Å; K144-E148 IonicContact NZ-OE1 2.82Å; K144-E148 WeakPolarHBondContact O-CA 3.34Å; K144-E148 WeakPolarHBondContact O-CB 3.29Å; K144-E148 VanDerWaalsContact O-CG 3.25Å; K144-E148 WeakPolarHBondContact O-CG 3.47Å; K144-E148 PolarHBondContact O-N 3.43Å; E148-Y151 PolarHBondContact O-N 3.15Å; E148-F152 WeakPolarHBondContact O-CA 3.47Å; E148-F152 WeakPolarHBondContact O-CB 3.41Å; E148-F152 PolarHBondContact O-N 3.12Å
149	V	48.3	Very low	45.8	Very low	62 Å²	62	109.2 Å²	109.2	38%	0.376	53%	0.527	S	S	.	.	H	α-helix	trans	-69.7	-33.7	175.7	171.2	0	0	0	0	112	W145 N153	W145-V149 HydrophobicContact CD2-CG2 4.36Å; W145-V149 HydrophobicContact CE3-CG2 4.06Å; W145-V149 HydrophobicContact CZ3-CG2 4.34Å; W145-V149 WeakPolarHBondContact O-CB 3.48Å; W145-V149 WeakPolarHBondContact O-CG2 3.36Å; W145-V149 PolarHBondContact O-N 3.41Å; V149-N153 WeakPolarHBondContact O-CB 3.32Å; V149-N153 PolarHBondContact O-N 3.36Å
150	V	47.8	Very low	46	Very low	85 Å²	85	106.9 Å²	106.9	52%	0.515	52%	0.52	S	S	.	.	H	α-helix	trans	-78.4	-36.8	174.4	171.9	0	0	0	0	110.8	K146 V147 N153 V154	K146-V150 WeakPolarHBondContact O-CA 3.36Å; K146-V150 WeakPolarHBondContact O-CB 3.26Å; K146-V150 WeakPolarHBondContact O-CG2 3.48Å; K146-V150 PolarHBondContact O-N 3.34Å; V147-V150 PolarHBondContact O-N 2.71Å; V150-N153 PolarHBondContact O-N 3.03Å; V150-V154 HydrophobicContact CG1-CG2 3.82Å; V150-V154 WeakPolarHBondContact O-CA 3.48Å; V150-V154 WeakPolarHBondContact O-CB 3.28Å; V150-V154 WeakPolarHBondContact O-CG2 3.16Å; V150-V154 PolarHBondContact O-N 2.71Å
151	Y	42	Very low	46.2	Very low	155 Å²	155	102.1 Å²	102.1	61%	0.608	51%	0.509	S	S	*	.	H	α-helix	trans	-68.2	-38.3	171.2	-118.3	-100.6	0	0	0	110.1	V147 E148 H155	V147-Y151 HydrophobicContact CG1-CD2 4.32Å; V147-Y151 WeakPolarHBondContact O-CA 3.21Å; V147-Y151 WeakPolarHBondContact O-CB 3.46Å; V147-Y151 PolarHBondContact O-N 2.96Å; E148-Y151 PolarHBondContact O-N 3.15Å; Y151-H155 AromaticContact CD1-CD2 3.53Å; Y151-H155 AromaticContact CE1-CD2 3.74Å; Y151-H155 AromaticContact CE1-NE2 3.78Å; Y151-H155 WeakPolarHBondContact O-CA 3.38Å; Y151-H155 WeakPolarHBondContact O-CB 3.48Å; Y151-H155 PolarHBondContact O-N 2Å
152	F	41.7	Very low	46.8	Very low	148 Å²	148	98.5 Å²	98.5	65%	0.649	50%	0.5	S	S	*	.	H	α-helix	trans	-69.8	-40.7	174.2	-127.3	-96	0	0	0	110.4	E148 L156	E148-F152 WeakPolarHBondContact O-CA 3.47Å; E148-F152 WeakPolarHBondContact O-CB 3.41Å; E148-F152 PolarHBondContact O-N 3.12Å; F152-L156 HydrophobicContact CD1-CD1 3.92Å; F152-L156 HydrophobicContact CE1-CD1 4.01Å; F152-L156 WeakPolarHBondContact O-CA 3.44Å; F152-L156 WeakPolarHBondContact O-CB 3.36Å; F152-L156 PolarHBondContact O-N 3.21Å
153	N	45.6	Very low	46.9	Very low	82 Å²	82	99.2 Å²	99.2	44%	0.439	50%	0.501	S	S	.	.	H	α-helix	trans	-73.5	-32.8	175.1	-103.6	-47.6	0	0	0	112.9	V149 V150 N157	V149-N153 WeakPolarHBondContact O-CB 3.32Å; V149-N153 PolarHBondContact O-N 3.36Å; V150-N153 PolarHBondContact O-N 3.03Å; N153-N157 WeakPolarHBondContact O-CA 3.42Å; N153-N157 WeakPolarHBondContact O-CB 3.46Å; N153-N157 PolarHBondContact O-N 3.25Å; N153-N157 PolarHBondContact O-ND2 3.35Å; N153-N157 VanDerWaalsContact O-ND2 3.1Å
154	V	49.5	Very low	46.9	Very low	64 Å²	64	100.6 Å²	100.6	39%	0.388	51%	0.509	S	S	.	.	H	α-helix	trans	-80.8	-34.3	177.9	174.1	0	0	0	0	109.9	V150 M158	V150-V154 HydrophobicContact CG1-CG2 3.82Å; V150-V154 WeakPolarHBondContact O-CA 3.48Å; V150-V154 WeakPolarHBondContact O-CB 3.28Å; V150-V154 WeakPolarHBondContact O-CG2 3.16Å; V150-V154 PolarHBondContact O-N 2.71Å; V154-M158 HydrophobicContact CG1-CE 3.78Å; V154-M158 HydrophobicContact CG1-CG 4.08Å; V154-M158 HydrophobicContact CG1-SD 4.18Å; V154-M158 WeakPolarHBondContact O-CA 3.07Å; V154-M158 WeakPolarHBondContact O-CB 3.37Å; V154-M158 WeakPolarHBondContact O-CG 3.43Å; V154-M158 PolarHBondContact O-N 2.81Å
155	H	49	Very low	47.5	Very low	99 Å²	99	101.1 Å²	101.1	46%	0.458	51%	0.513	S	S	.	.	H	α-helix	trans	-74	-35.9	166	-94.5	-84.1	0	0	0	111.8	Y151 N157 L159	Y151-H155 AromaticContact CD1-CD2 3.53Å; Y151-H155 AromaticContact CE1-CD2 3.74Å; Y151-H155 AromaticContact CE1-NE2 3.78Å; Y151-H155 WeakPolarHBondContact O-CA 3.38Å; Y151-H155 WeakPolarHBondContact O-CB 3.48Å; Y151-H155 PolarHBondContact O-N 2Å; H155-N157 VanDerWaalsContact C-N 3.35Å; H155-L159 HydrophobicContact CB-CD1 3.9Å; H155-L159 WeakPolarHBondContact ND1-CD1 3.44Å; H155-L159 WeakPolarHBondContact O-CA 2.95Å; H155-L159 WeakPolarHBondContact O-CB 3.2Å; H155-L159 WeakPolarHBondContact O-CD1 3.4Å; H155-L159 PolarHBondContact O-N 2.9Å
156	L	44.7	Very low	48	Very low	101 Å²	101	96.6 Å²	96.6	53%	0.529	50%	0.503	S	S	.	.	H	α-helix	trans	-68.1	-36.1	172	-119.4	74.1	0	0	0	111	F152 S160	F152-L156 HydrophobicContact CD1-CD1 3.92Å; F152-L156 HydrophobicContact CE1-CD1 4.01Å; F152-L156 WeakPolarHBondContact O-CA 3.44Å; F152-L156 WeakPolarHBondContact O-CB 3.36Å; F152-L156 PolarHBondContact O-N 3.21Å; L156-S160 WeakPolarHBondContact O-CA 3.48Å; L156-S160 WeakPolarHBondContact O-CB 3.42Å; L156-S160 PolarHBondContact O-N 3.32Å; L156-S160 PolarHBondContact O-OG 3.35Å
157	N	45.7	Very low	48.2	Very low	93 Å²	93	94.3 Å²	94.3	50%	0.497	50%	0.497	S	S	.	.	H	α-helix	trans	-84.8	-22.9	178.6	-66.9	-24.8	0	0	0	113	N153 H155 S160 A161	N153-N157 WeakPolarHBondContact O-CA 3.42Å; N153-N157 WeakPolarHBondContact O-CB 3.46Å; N153-N157 PolarHBondContact O-N 3.25Å; N153-N157 PolarHBondContact O-ND2 3.35Å; N153-N157 VanDerWaalsContact O-ND2 3.1Å; H155-N157 VanDerWaalsContact C-N 3.35Å; N157-S160 WeakPolarHBondContact CA-OG 3.33Å; N157-A161 WeakPolarHBondContact O-CA 3.33Å; N157-A161 WeakPolarHBondContact O-CB 3.35Å; N157-A161 PolarHBondContact O-N 2.03Å
158	M	45.3	Very low	48.2	Very low	126 Å²	126	95.2 Å²	95.2	62%	0.621	50%	0.499	S	S	*	.	H	α-helix	trans	-86.9	-35.6	169.5	-75.8	-166.2	-172.4	0	0	111.9	V154 S162	V154-M158 HydrophobicContact CG1-CE 3.78Å; V154-M158 HydrophobicContact CG1-CG 4.08Å; V154-M158 HydrophobicContact CG1-SD 4.18Å; V154-M158 WeakPolarHBondContact O-CA 3.07Å; V154-M158 WeakPolarHBondContact O-CB 3.37Å; V154-M158 WeakPolarHBondContact O-CG 3.43Å; V154-M158 PolarHBondContact O-N 2.81Å; M158-S162 WeakPolarHBondContact O-CA 3.07Å; M158-S162 WeakPolarHBondContact O-CB 3.2Å; M158-S162 PolarHBondContact O-N 3.12Å; M158-S162 PolarHBondContact O-OG 3.03Å
159	L	46	Very low	48.7	Very low	88 Å²	88	93.6 Å²	93.6	46%	0.461	50%	0.496	S	S	.	.	H	α-helix	trans	-71.8	-37.9	169	-82.9	122.5	0	0	0	110.2	H155 L163	H155-L159 HydrophobicContact CB-CD1 3.9Å; H155-L159 WeakPolarHBondContact ND1-CD1 3.44Å; H155-L159 WeakPolarHBondContact O-CA 2.95Å; H155-L159 WeakPolarHBondContact O-CB 3.2Å; H155-L159 WeakPolarHBondContact O-CD1 3.4Å; H155-L159 PolarHBondContact O-N 2.9Å; L159-L163 HydrophobicContact CB-CD1 4.22Å; L159-L163 HydrophobicContact CD2-CD1 3.96Å; L159-L163 WeakPolarHBondContact O-CA 3.14Å; L159-L163 WeakPolarHBondContact O-CB 3.04Å; L159-L163 WeakPolarHBondContact O-CD1 2.94Å; L159-L163 PolarHBondContact O-N 3.22Å
160	S	48.8	Very low	48.7	Very low	61 Å²	61	95.6 Å²	95.6	43%	0.427	50%	0.504	S	S	.	.	H	α-helix	trans	-72.7	-38.1	170.7	67	0	0	0	0	111.6	L156 N157 L164	L156-S160 WeakPolarHBondContact O-CA 3.48Å; L156-S160 WeakPolarHBondContact O-CB 3.42Å; L156-S160 PolarHBondContact O-N 3.32Å; L156-S160 PolarHBondContact O-OG 3.35Å; N157-S160 WeakPolarHBondContact CA-OG 3.33Å; S160-L164 WeakPolarHBondContact O-CA 3.29Å; S160-L164 WeakPolarHBondContact O-CB 2.99Å; S160-L164 PolarHBondContact O-N 3.06Å
161	A	49.6	Very low	48.7	Very low	50 Å²	50	96.9 Å²	96.9	41%	0.413	51%	0.506	S	S	.	.	H	α-helix	trans	-70.7	-36.2	175.1	0	0	0	0	0	113	N157 Q165	N157-A161 WeakPolarHBondContact O-CA 3.33Å; N157-A161 WeakPolarHBondContact O-CB 3.35Å; N157-A161 PolarHBondContact O-N 2.03Å; A161-Q165 WeakPolarHBondContact O-CA 2.92Å; A161-Q165 WeakPolarHBondContact O-CB 3.39Å; A161-Q165 PolarHBondContact O-N 2.85Å
162	S	53.8	Low	49.2	Very low	57 Å²	57	93.1 Å²	93.1	40%	0.399	50%	0.499	S	S	.	.	H	α-helix	trans	-76.8	-40.1	177	78.9	0	0	0	0	111.9	M158 Q165 D166	M158-S162 WeakPolarHBondContact O-CA 3.07Å; M158-S162 WeakPolarHBondContact O-CB 3.2Å; M158-S162 PolarHBondContact O-N 3.12Å; M158-S162 PolarHBondContact O-OG 3.03Å; S162-Q165 PolarHBondContact O-N 2.04Å; S162-D166 WeakPolarHBondContact O-CB 3.07Å; S162-D166 PolarHBondContact O-N 2.8Å
163	L	50.9	Low	49.6	Very low	95 Å²	95	89.7 Å²	89.7	50%	0.497	49%	0.49	S	S	.	.	H	α-helix	trans	-70.4	-33.8	171.4	-85.5	123.1	0	0	0	112.2	L159 L167	L159-L163 HydrophobicContact CB-CD1 4.22Å; L159-L163 HydrophobicContact CD2-CD1 3.96Å; L159-L163 WeakPolarHBondContact O-CA 3.14Å; L159-L163 WeakPolarHBondContact O-CB 3.04Å; L159-L163 WeakPolarHBondContact O-CD1 2.94Å; L159-L163 PolarHBondContact O-N 3.22Å; L163-L167 HydrophobicContact CD2-CD1 4.46Å; L163-L167 WeakPolarHBondContact O-CB 3.41Å; L163-L167 WeakPolarHBondContact O-CD1 3.33Å; L163-L167 PolarHBondContact O-N 2.9Å
164	L	49.6	Very low	49.9	Very low	112 Å²	112	90.3 Å²	90.3	59%	0.586	50%	0.497	S	S	*	.	H	α-helix	trans	-74.6	-32.7	176	-154	96.5	0	0	0	110.5	S160 L168	S160-L164 WeakPolarHBondContact O-CA 3.29Å; S160-L164 WeakPolarHBondContact O-CB 2.99Å; S160-L164 PolarHBondContact O-N 3.06Å; L164-L168 HydrophobicContact CD2-CD1 3.92Å; L164-L168 HydrophobicContact CG-CD1 4.04Å; L164-L168 WeakPolarHBondContact O-CA 3.05Å; L164-L168 WeakPolarHBondContact O-CB 2.93Å; L164-L168 VanDerWaalsContact O-CD1 3.27Å; L164-L168 WeakPolarHBondContact O-CD1 3.26Å; L164-L168 WeakPolarHBondContact O-CG 3.04Å; L164-L168 PolarHBondContact O-N 3.49Å
165	Q	55.7	Low	50.1	Low	133 Å²	133	92.5 Å²	92.5	62%	0.621	51%	0.505	S	S	*	.	H	α-helix	trans	-77.3	-33.9	174.7	-164.6	144.2	-13.3	0	0	112.2	A161 S162 T169	A161-Q165 WeakPolarHBondContact O-CA 2.92Å; A161-Q165 WeakPolarHBondContact O-CB 3.39Å; A161-Q165 PolarHBondContact O-N 2.85Å; S162-Q165 PolarHBondContact O-N 2.04Å; Q165-T169 VanDerWaalsContact O-CB 3.31Å; Q165-T169 WeakPolarHBondContact O-CB 3.45Å; Q165-T169 VanDerWaalsContact O-CG2 3.26Å; Q165-T169 WeakPolarHBondContact O-CG2 3.45Å; Q165-T169 PolarHBondContact O-N 3Å; Q165-T169 PolarHBondContact O-OG1 2.77Å
166	D	52.6	Low	50.2	Low	95 Å²	95	93.9 Å²	93.9	51%	0.508	51%	0.514	S	S	.	.	H	α-helix	trans	-73.3	-33.4	169.8	-72.7	-21.6	0	0	0	112.1	S162 T169 N170	S162-D166 WeakPolarHBondContact O-CB 3.07Å; S162-D166 PolarHBondContact O-N 2.8Å; D166-T169 WeakPolarHBondContact CA-OG1 3.42Å; D166-T169 PolarHBondContact O-OG1 3.47Å; D166-N170 WeakPolarHBondContact O-CB 3.3Å; D166-N170 PolarHBondContact O-N 3Å; D166-N170 PolarHBondContact O-ND2 2.01Å
167	L	50.4	Low	50.8	Low	99 Å²	99	93.8 Å²	93.8	52%	0.518	51%	0.512	S	S	.	.	H	α-helix	trans	-71.8	-39.6	169.7	-103.1	94.5	0	0	0	111.8	L163 M171	L163-L167 HydrophobicContact CD2-CD1 4.46Å; L163-L167 WeakPolarHBondContact O-CB 3.41Å; L163-L167 WeakPolarHBondContact O-CD1 3.33Å; L163-L167 PolarHBondContact O-N 2.9Å; L167-M171 WeakPolarHBondContact O-CB 3.01Å; L167-M171 VanDerWaalsContact O-CG 3.25Å; L167-M171 WeakPolarHBondContact O-CG 3.46Å; L167-M171 PolarHBondContact O-N 2.96Å
168	L	50.7	Low	50.9	Low	95 Å²	95	96.3 Å²	96.3	50%	0.497	52%	0.516	S	S	.	.	H	α-helix	trans	-70.7	-37.9	178.8	-81.7	159.8	0	0	0	111.2	L164 T172	L164-L168 HydrophobicContact CD2-CD1 3.92Å; L164-L168 HydrophobicContact CG-CD1 4.04Å; L164-L168 WeakPolarHBondContact O-CA 3.05Å; L164-L168 WeakPolarHBondContact O-CB 2.93Å; L164-L168 VanDerWaalsContact O-CD1 3.27Å; L164-L168 WeakPolarHBondContact O-CD1 3.26Å; L164-L168 WeakPolarHBondContact O-CG 3.04Å; L164-L168 PolarHBondContact O-N 3.49Å; L168-T172 WeakPolarHBondContact O-CB 3.15Å; L168-T172 VanDerWaalsContact O-CG2 3.3Å; L168-T172 WeakPolarHBondContact O-CG2 3.27Å; L168-T172 PolarHBondContact O-N 3.48Å; L168-T172 PolarHBondContact O-OG1 2.95Å
169	T	55.8	Low	51.4	Low	66 Å²	66	92.9 Å²	92.9	41%	0.405	51%	0.507	S	S	.	.	H	α-helix	trans	-70.2	-42.2	173.5	49.7	0	0	0	0	111.6	Q165 D166 T172 V173	Q165-T169 VanDerWaalsContact O-CB 3.31Å; Q165-T169 WeakPolarHBondContact O-CB 3.45Å; Q165-T169 VanDerWaalsContact O-CG2 3.26Å; Q165-T169 WeakPolarHBondContact O-CG2 3.45Å; Q165-T169 PolarHBondContact O-N 3Å; Q165-T169 PolarHBondContact O-OG1 2.77Å; D166-T169 WeakPolarHBondContact CA-OG1 3.42Å; D166-T169 PolarHBondContact O-OG1 3.47Å; T169-T172 WeakPolarHBondContact CA-OG1 2.93Å; T169-T172 PolarHBondContact O-N 2.9Å; T169-T172 PolarHBondContact O-OG1 2.84Å; T169-T172 VanDerWaalsContact O-OG1 3.04Å; T169-V173 WeakPolarHBondContact O-CB 3.35Å; T169-V173 WeakPolarHBondContact O-CG2 3.03Å; T169-V173 PolarHBondContact O-N 3.5Å
170	N	48.5	Very low	52.1	Low	104 Å²	104	93.3 Å²	93.3	56%	0.556	51%	0.509	S	S	*	.	H	α-helix	trans	-67.6	-38.8	174	-79.6	-44.4	0	0	0	112.8	D166 V173 V174	D166-N170 WeakPolarHBondContact O-CB 3.3Å; D166-N170 PolarHBondContact O-N 3Å; D166-N170 PolarHBondContact O-ND2 2.01Å; N170-V173 PolarHBondContact O-N 2.99Å; N170-V174 WeakPolarHBondContact O-CB 3.39Å; N170-V174 WeakPolarHBondContact O-CG2 3.25Å; N170-V174 PolarHBondContact O-N 2.85Å
171	M	47.4	Very low	52.6	Low	111 Å²	111	96.4 Å²	96.4	55%	0.547	52%	0.517	S	S	.	.	H	α-helix	trans	-69.6	-36.6	176	-75.7	-135.5	-67.8	0	0	112.4	L167 V174 I175	L167-M171 WeakPolarHBondContact O-CB 3.01Å; L167-M171 VanDerWaalsContact O-CG 3.25Å; L167-M171 WeakPolarHBondContact O-CG 3.46Å; L167-M171 PolarHBondContact O-N 2.96Å; M171-V174 PolarHBondContact O-N 2.82Å; M171-I175 WeakPolarHBondContact O-CB 3.28Å; M171-I175 WeakPolarHBondContact O-CD1 3.38Å; M171-I175 WeakPolarHBondContact O-CG1 3.48Å; M171-I175 PolarHBondContact O-N 2.93Å
172	T	51.2	Low	53	Low	77 Å²	77	98 Å²	98	47%	0.472	52%	0.516	S	S	.	.	H	α-helix	trans	-68.8	-37.1	174.7	45.4	0	0	0	0	112	L168 T169 M176	L168-T172 WeakPolarHBondContact O-CB 3.15Å; L168-T172 VanDerWaalsContact O-CG2 3.3Å; L168-T172 WeakPolarHBondContact O-CG2 3.27Å; L168-T172 PolarHBondContact O-N 3.48Å; L168-T172 PolarHBondContact O-OG1 2.95Å; T169-T172 WeakPolarHBondContact CA-OG1 2.93Å; T169-T172 PolarHBondContact O-N 2.9Å; T169-T172 PolarHBondContact O-OG1 2.84Å; T169-T172 VanDerWaalsContact O-OG1 3.04Å; T172-M176 WeakPolarHBondContact O-CB 3.38Å; T172-M176 VanDerWaalsContact O-CG 3.26Å; T172-M176 WeakPolarHBondContact O-CG 3.45Å; T172-M176 PolarHBondContact O-N 3.49Å
173	V	51.8	Low	52.9	Low	75 Å²	75	99 Å²	99	46%	0.455	52%	0.52	S	S	.	.	H	α-helix	trans	-65.6	-43.4	172.9	172.4	0	0	0	0	111.1	T169 N170 M176 I177	T169-V173 WeakPolarHBondContact O-CB 3.35Å; T169-V173 WeakPolarHBondContact O-CG2 3.03Å; T169-V173 PolarHBondContact O-N 3.5Å; N170-V173 PolarHBondContact O-N 2.99Å; V173-M176 PolarHBondContact O-N 3.46Å; V173-I177 HydrophobicContact CG1-CD1 3.77Å; V173-I177 HydrophobicContact CG1-CG1 4.43Å; V173-I177 WeakPolarHBondContact O-CB 3.46Å; V173-I177 VanDerWaalsContact O-CG1 3.25Å; V173-I177 WeakPolarHBondContact O-CG1 3.32Å; V173-I177 PolarHBondContact O-N 3.07Å
174	V	51	Low	53	Low	95 Å²	95	99.2 Å²	99.2	58%	0.576	52%	0.521	S	S	*	.	H	α-helix	trans	-65.4	-41.1	176.8	171.5	0	0	0	0	111.8	N170 M171 I177 Y178	N170-V174 WeakPolarHBondContact O-CB 3.39Å; N170-V174 WeakPolarHBondContact O-CG2 3.25Å; N170-V174 PolarHBondContact O-N 2.85Å; M171-V174 PolarHBondContact O-N 2.82Å; V174-I177 PolarHBondContact O-N 2.95Å; V174-Y178 WeakPolarHBondContact O-CB 3.43Å; V174-Y178 PolarHBondContact O-N 2.8Å
175	I	54.2	Low	52.9	Low	110 Å²	110	102 Å²	102	56%	0.564	53%	0.526	S	S	*	.	H	α-helix	trans	-66.6	-39.6	176	-68.7	164.9	0	0	0	111	M171 Y178 A179	M171-I175 WeakPolarHBondContact O-CB 3.28Å; M171-I175 WeakPolarHBondContact O-CD1 3.38Å; M171-I175 WeakPolarHBondContact O-CG1 3.48Å; M171-I175 PolarHBondContact O-N 2.93Å; I175-Y178 PolarHBondContact O-N 3.11Å; I175-A179 VanDerWaalsContact O-CB 3.27Å; I175-A179 WeakPolarHBondContact O-CB 3.43Å; I175-A179 PolarHBondContact O-N 3.22Å
176	M	50.6	Low	52.6	Low	129 Å²	129	100.6 Å²	100.6	64%	0.635	52%	0.522	S	S	*	.	H	α-helix	trans	-67.5	-40.9	176	-74.9	-130.6	-70.8	0	0	112.2	T172 V173 A179 I180	T172-M176 WeakPolarHBondContact O-CB 3.38Å; T172-M176 VanDerWaalsContact O-CG 3.26Å; T172-M176 WeakPolarHBondContact O-CG 3.45Å; T172-M176 PolarHBondContact O-N 3.49Å; V173-M176 PolarHBondContact O-N 3.46Å; M176-A179 PolarHBondContact O-N 3.19Å; M176-I180 WeakPolarHBondContact O-CB 3.07Å; M176-I180 WeakPolarHBondContact O-CD1 3.36Å; M176-I180 WeakPolarHBondContact O-CG1 3.1Å; M176-I180 PolarHBondContact O-N 2.93Å
177	I	57.4	Low	52.4	Low	98 Å²	98	104.2 Å²	104.2	50%	0.503	53%	0.529	S	S	.	.	H	α-helix	trans	-62.7	-45.7	174.8	-68.6	168.3	0	0	0	110.1	V173 V174 A179 I180 E181	V173-I177 HydrophobicContact CG1-CD1 3.77Å; V173-I177 HydrophobicContact CG1-CG1 4.43Å; V173-I177 WeakPolarHBondContact O-CB 3.46Å; V173-I177 VanDerWaalsContact O-CG1 3.25Å; V173-I177 WeakPolarHBondContact O-CG1 3.32Å; V173-I177 PolarHBondContact O-N 3.07Å; V174-I177 PolarHBondContact O-N 2.95Å; I177-A179 PolarHBondContact O-N 2.81Å; I177-I180 PolarHBondContact O-N 2.86Å; I177-E181 WeakPolarHBondContact O-CB 3.43Å; I177-E181 PolarHBondContact O-N 3.06Å
178	Y	48.6	Very low	52.5	Low	147 Å²	147	106.4 Å²	106.4	58%	0.576	54%	0.542	S	S	*	.	H	α-helix	trans	-65.4	-38.3	178.7	-160.6	-96.7	0	0	0	112.4	V174 I175 E181 Q182	V174-Y178 WeakPolarHBondContact O-CB 3.43Å; V174-Y178 PolarHBondContact O-N 2.8Å; I175-Y178 PolarHBondContact O-N 3.11Å; Y178-E181 PolarHBondContact O-N 2.76Å; Y178-Q182 HydrophobicContact CD1-CG 3.98Å; Y178-Q182 HydrophobicContact CE1-CG 3.82Å; Y178-Q182 WeakPolarHBondContact O-CB 3.44Å; Y178-Q182 VanDerWaalsContact O-CG 3.22Å; Y178-Q182 WeakPolarHBondContact O-CG 2.96Å; Y178-Q182 PolarHBondContact O-N 2.85Å; Y178-Q182 PolarHBondContact OH-NE2 3.29Å
179	A	55	Low	52.6	Low	53 Å²	53	105.9 Å²	105.9	44%	0.438	54%	0.543	S	S	.	.	H	α-helix	trans	-66	-41.9	175.3	0	0	0	0	0	112	I175 M176 I177 Q182 T183	I175-A179 VanDerWaalsContact O-CB 3.27Å; I175-A179 WeakPolarHBondContact O-CB 3.43Å; I175-A179 PolarHBondContact O-N 3.22Å; M176-A179 PolarHBondContact O-N 3.19Å; I177-A179 PolarHBondContact O-N 2.81Å; A179-Q182 PolarHBondContact O-N 3.42Å; A179-T183 PolarHBondContact O-N 2.93Å; A179-T183 PolarHBondContact O-OG1 2.04Å
180	I	60.6	Low	52	Low	97 Å²	97	108.9 Å²	108.9	50%	0.497	56%	0.556	S	S	.	*	H	α-helix	trans	-64	-43.7	176	-69.6	165.4	0	0	0	110.5	M176 I177 T183 N184	M176-I180 WeakPolarHBondContact O-CB 3.07Å; M176-I180 WeakPolarHBondContact O-CD1 3.36Å; M176-I180 WeakPolarHBondContact O-CG1 3.1Å; M176-I180 PolarHBondContact O-N 2.93Å; I177-I180 PolarHBondContact O-N 2.86Å; I180-T183 VanDerWaalsContact CA-OG1 3.29Å; I180-T183 WeakPolarHBondContact CA-OG1 3.33Å; I180-T183 PolarHBondContact O-N 2.77Å; I180-T183 PolarHBondContact O-OG1 2.91Å; I180-N184 WeakPolarHBondContact O-CB 3.45Å; I180-N184 PolarHBondContact O-N 2.87Å
181	E	59.4	Low	51.8	Low	127 Å²	127	116.8 Å²	116.8	59%	0.593	58%	0.58	S	S	*	*	H	α-helix	trans	-65.5	-41	179.4	-157.4	170.5	-162.3	0	0	111.5	I177 Y178 N184 Y185	I177-E181 WeakPolarHBondContact O-CB 3.43Å; I177-E181 PolarHBondContact O-N 3.06Å; Y178-E181 PolarHBondContact O-N 2.76Å; E181-N184 PolarHBondContact O-N 2.69Å; E181-Y185 WeakPolarHBondContact O-CB 3.17Å; E181-Y185 PolarHBondContact O-N 3.15Å
182	Q	56.8	Low	52	Low	82 Å²	82	117.1 Å²	117.1	38%	0.383	58%	0.581	S	S	.	*	H	α-helix	trans	-66.9	-40.5	173.5	-70.5	-66.9	-22.1	0	0	112.6	Y178 A179 N184 Y185 L186	Y178-Q182 HydrophobicContact CD1-CG 3.98Å; Y178-Q182 HydrophobicContact CE1-CG 3.82Å; Y178-Q182 WeakPolarHBondContact O-CB 3.44Å; Y178-Q182 VanDerWaalsContact O-CG 3.22Å; Y178-Q182 WeakPolarHBondContact O-CG 2.96Å; Y178-Q182 PolarHBondContact O-N 2.85Å; Y178-Q182 PolarHBondContact OH-NE2 3.29Å; A179-Q182 PolarHBondContact O-N 3.42Å; Q182-N184 VanDerWaalsContact C-N 3.35Å; Q182-N184 PolarHBondContact O-N 3.18Å; Q182-Y185 PolarHBondContact O-N 2.78Å; Q182-L186 WeakPolarHBondContact O-CB 3.23Å; Q182-L186 PolarHBondContact O-N 3.37Å
183	T	53.4	Low	52	Low	80 Å²	80	119.2 Å²	119.2	49%	0.491	59%	0.587	S	S	.	*	H	α-helix	trans	-66.2	-36.2	174.8	44.9	0	0	0	0	112.3	A179 I180 L186 Y187	A179-T183 PolarHBondContact O-N 2.93Å; A179-T183 PolarHBondContact O-OG1 2.04Å; I180-T183 VanDerWaalsContact CA-OG1 3.29Å; I180-T183 WeakPolarHBondContact CA-OG1 3.33Å; I180-T183 PolarHBondContact O-N 2.77Å; I180-T183 PolarHBondContact O-OG1 2.91Å; T183-L186 PolarHBondContact O-N 3.49Å; T183-Y187 WeakPolarHBondContact O-CB 3.45Å; T183-Y187 PolarHBondContact O-N 2.82Å
184	N	52.7	Low	52	Low	98 Å²	98	121.6 Å²	121.6	52%	0.524	60%	0.595	S	S	.	*	H	α-helix	trans	-70.7	-34.3	174.6	-82	-24.7	0	0	0	112.2	I180 E181 Q182 Y187 N188	I180-N184 WeakPolarHBondContact O-CB 3.45Å; I180-N184 PolarHBondContact O-N 2.87Å; E181-N184 PolarHBondContact O-N 2.69Å; Q182-N184 VanDerWaalsContact C-N 3.35Å; Q182-N184 PolarHBondContact O-N 3.18Å; N184-Y187 PolarHBondContact O-N 3.07Å; N184-N188 WeakPolarHBondContact O-CB 3.29Å; N184-N188 PolarHBondContact O-N 3.16Å
185	Y	48.1	Very low	52.1	Low	172 Å²	172	123.2 Å²	123.2	68%	0.675	60%	0.596	S	S	*	*	H	α-helix	trans	-68.6	-37.3	174.1	-153.6	-89.5	0	0	0	112	E181 Q182 T189	E181-Y185 WeakPolarHBondContact O-CB 3.17Å; E181-Y185 PolarHBondContact O-N 3.15Å; Q182-Y185 PolarHBondContact O-N 2.78Å; Y185-T189 HydrophobicContact CE1-CG2 4.48Å; Y185-T189 WeakPolarHBondContact O-CG2 3.46Å; Y185-T189 PolarHBondContact O-N 3.3Å; Y185-T189 PolarHBondContact O-OG1 3.04Å
186	L	47.6	Very low	52	Low	103 Å²	103	124 Å²	124	54%	0.539	60%	0.598	S	S	.	*	H	α-helix	trans	-73.1	-29.7	174.1	-87.7	151.3	0	0	0	113.6	Q182 T183 T189 N190	Q182-L186 WeakPolarHBondContact O-CB 3.23Å; Q182-L186 PolarHBondContact O-N 3.37Å; T183-L186 PolarHBondContact O-N 3.49Å; L186-T189 PolarHBondContact O-OG1 2.92Å; L186-N190 PolarHBondContact O-ND2 2.86Å
187	Y	49.9	Very low	52.1	Low	170 Å²	170	123.7 Å²	123.7	67%	0.667	60%	0.595	S	S	*	*	H	α-helix	trans	-78.5	-32.7	174.8	-116.6	-90.9	0	0	0	112.9	T183 N184 T189	T183-Y187 WeakPolarHBondContact O-CB 3.45Å; T183-Y187 PolarHBondContact O-N 2.82Å; N184-Y187 PolarHBondContact O-N 3.07Å; Y187-T189 VanDerWaalsContact C-N 3.29Å; Y187-T189 PolarHBondContact O-N 2.78Å
188	N	52.5	Low	51.7	Low	146 Å²	146	125.5 Å²	125.5	78%	0.781	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.8	-2.2	175.4	-89.9	-12.6	0	0	0	114.4	N184	N184-N188 WeakPolarHBondContact O-CB 3.29Å; N184-N188 PolarHBondContact O-N 3.16Å
189	T	51	Low	51.9	Low	84 Å²	84	123.8 Å²	123.8	52%	0.515	60%	0.604	S	S	.	*	T	Hydrogen-bonded Turn	trans	-107	0.6	174	43.5	0	0	0	0	113.5	Y185 L186 Y187	Y185-T189 HydrophobicContact CE1-CG2 4.48Å; Y185-T189 WeakPolarHBondContact O-CG2 3.46Å; Y185-T189 PolarHBondContact O-N 3.3Å; Y185-T189 PolarHBondContact O-OG1 3.04Å; L186-T189 PolarHBondContact O-OG1 2.92Å; Y187-T189 VanDerWaalsContact C-N 3.29Å; Y187-T189 PolarHBondContact O-N 2.78Å
190	N	44.8	Very low	51.7	Low	129 Å²	129	129.8 Å²	129.8	69%	0.69	62%	0.618	S	S	*	*			trans	-123.9	27.6	177.9	-77	-49.2	0	0	0	113.9	L186	L186-N190 PolarHBondContact O-ND2 2.86Å
191	Y	43.2	Very low	50.9	Low	269 Å²	269	132.7 Å²	132.7	100%	1.055	63%	0.628	S	S	*	*			trans	-121.6	0	154.5	-91.6	-80	0	0	0	109.9

Retrieved 191 of 191 residues in 84.1 ms (Link to these results)

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