A0A087XQZ0_POEFO Loading...

Nucleoside diphosphate kinase B

Major role in the synthesis of nucleoside triphosphates other than ATP.

AlphaFold DB , UniProt , Accession A0A087XQZ0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 210 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	37.8	Very low	57	Low	238 Å²	238	146.2 Å²	146.2	100%	1.172	69%	0.692	S	S	*	*				0	114	0	-70.9	-170	-66.2	0	0	106.7	E3	M1-E3 PolarHBondContact O-N 3.38Å
2	Y	39.8	Very low	60.2	Low	234 Å²	234	138 Å²	138	92%	0.918	65%	0.65	S	S	*	*			trans	-68.4	120.8	177	-98.3	-100.6	0	0	0	108.5	I4	Y2-I4 PolarHBondContact O-N 2.92Å; Y2-I4 VanDerWaalsContact O-N 3.15Å
3	E	45.8	Very low	63.1	Low	188 Å²	188	127.4 Å²	127.4	88%	0.879	60%	0.6	S	S	*	*			trans	-58.3	115.5	162.9	-87.3	174.2	146.4	0	0	107.5	M1 S5	M1-E3 PolarHBondContact O-N 3.38Å; E3-S5 VanDerWaalsContact C-N 3.29Å; E3-S5 PolarHBondContact O-N 2.79Å
4	I	50	Low	65.6	Low	155 Å²	155	118.3 Å²	118.3	80%	0.795	56%	0.557	S	S	*	*			trans	-61.9	103.2	162.1	-60.4	171.7	0	0	0	104.2	Y2 Q6	Y2-I4 PolarHBondContact O-N 2.92Å; Y2-I4 VanDerWaalsContact O-N 3.15Å; I4-Q6 VanDerWaalsContact C-N 3.28Å; I4-Q6 PolarHBondContact O-N 3.15Å
5	S	47.1	Very low	67.8	Low	105 Å²	105	110.4 Å²	110.4	73%	0.734	52%	0.52	S	S	*	.			trans	-52.2	101.3	165.3	174.4	0	0	0	0	106.1	E3 R7	E3-S5 VanDerWaalsContact C-N 3.29Å; E3-S5 PolarHBondContact O-N 2.79Å; S5-R7 PolarHBondContact O-N 3.33Å
6	Q	50.9	Low	69.8	Low	168 Å²	168	103.5 Å²	103.5	79%	0.785	49%	0.487	S	S	*	.			trans	-56.9	112.3	171.1	-79.2	-171	-14.9	0	0	105	I4 I8	I4-Q6 VanDerWaalsContact C-N 3.28Å; I4-Q6 PolarHBondContact O-N 3.15Å; Q6-I8 PolarHBondContact O-N 3.42Å
7	R	54.4	Low	71.5	Confident	199 Å²	199	97.4 Å²	97.4	75%	0.751	46%	0.459	S	S	*	.			trans	-52.9	112.3	170.2	-97.4	-176.9	171.9	178.3	-3.8	106.3	S5 Y9	S5-R7 PolarHBondContact O-N 3.33Å; R7-Y9 VanDerWaalsContact C-N 3.28Å; R7-Y9 PolarHBondContact O-N 2.94Å
8	I	58.1	Low	73	Confident	149 Å²	149	92.6 Å²	92.6	76%	0.764	44%	0.436	S	S	*	.			trans	-71.2	94.2	177.6	-60	177.7	0	0	0	106	Q6 V10	Q6-I8 PolarHBondContact O-N 3.42Å; I8-V10 HydrophobicContact CG2-CG2 4.13Å; I8-V10 PolarHBondContact O-N 2.96Å
9	Y	69.6	Low	74.3	Confident	87 Å²	87	88.7 Å²	88.7	34%	0.341	42%	0.419	S	S	.	.			trans	-70.8	121.8	172.2	170.6	-110.2	0	0	0	109	R7 E11 F130 E147 P148	R7-Y9 VanDerWaalsContact C-N 3.28Å; R7-Y9 PolarHBondContact O-N 2.94Å; Y9-E11 HydrophobicContact CE1-CB 3.9Å; Y9-F130 WeakPolarHBondContact OH-CE2 3.36Å; Y9-E147 HydrophobicContact CD2-CB 4.35Å; Y9-E147 HydrophobicContact CE2-CB 4.38Å; Y9-E147 VanDerWaalsContact CE2-O 3.32Å; Y9-E147 WeakPolarHBondContact CE2-O 3.25Å; Y9-P148 VanDerWaalsContact CE2-CD 3.46Å
10	V	82.3	Confident	75.5	Confident	56 Å²	56	86.1 Å²	86.1	34%	0.339	41%	0.408	S	S	.	.			trans	-110.8	109.7	173.9	-173.9	0	0	0	0	108.1	I8 A83	I8-V10 HydrophobicContact CG2-CG2 4.13Å; I8-V10 PolarHBondContact O-N 2.96Å; V10-A83 HydrophobicContact CG1-CB 3.9Å
11	E	91.8	Very high	76.6	Confident	29 Å²	29	82.2 Å²	82.2	14%	0.136	39%	0.39	C	S	.	.			trans	-60.2	146.4	178.4	-172.9	179.5	-124.4	0	0	110.8	Y9 A83 R84 N86 A87 V88 F130	Y9-E11 HydrophobicContact CE1-CB 3.9Å; E11-A83 WeakPolarHBondContact O-CA 3.29Å; E11-R84 PolarHBondContact N-O 2.85Å; E11-R84 PolarHBondContact O-N 3.31Å; E11-R84 VanDerWaalsContact O-N 3.08Å; E11-N86 VanDerWaalsContact OE2-CA 3.28Å; E11-N86 WeakPolarHBondContact OE2-CA 3.44Å; E11-A87 HydrophobicContact CB-CB 4.22Å; E11-A87 HydrophobicContact CG-CB 4.29Å; E11-A87 VanDerWaalsContact O-CB 3.26Å; E11-A87 WeakPolarHBondContact O-CB 3.33Å; E11-A87 PolarHBondContact OE2-N 2.98Å; E11-V88 HydrophobicContact CG-CG2 4.18Å; E11-V88 PolarHBondContact OE2-N 3.35Å; E11-F130 HydrophobicContact CG-CD2 4.12Å; E11-F130 HydrophobicContact CG-CE2 4.49Å
12	R	95.2	Very high	79.5	Confident	48 Å²	48	71.7 Å²	71.7	18%	0.181	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	143.5	179.4	-54	179.9	-167.9	172	10	110.6	L40 T81 L82 A83 I137 V145	R12-L40 HydrophobicContact CG-CD1 4.19Å; R12-T81 HydrophobicContact CB-CG2 4.23Å; R12-L82 CarbonylContact C-O 3.51Å; R12-L82 WeakPolarHBondContact CA-O 3.47Å; R12-A83 HydrophobicContact CG-CB 4.25Å; R12-I137 HydrophobicContact CB-CD1 3.94Å; R12-V145 PolarHBondContact NH1-O 2.95Å; R12-V145 PolarHBondContact NH2-O 3.47Å
13	T	97.8	Very high	82.2	Confident	0 Å²	0	67.2 Å²	67.2	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	155.1	174.8	-172.1	0	0	0	0	110.8	L82 A87 W91	T13-L82 HydrophobicContact CG2-CB 3.89Å; T13-L82 HydrophobicContact CG2-CD1 4.43Å; T13-L82 HydrophobicContact CG2-CG 4.5Å; T13-L82 PolarHBondContact N-O 2.91Å; T13-L82 PolarHBondContact O-N 2.81Å; T13-A87 HydrophobicContact CG2-CB 4.04Å; T13-W91 HydrophobicContact CG2-CB 3.8Å; T13-W91 HydrophobicContact CG2-CG 4.07Å
14	L	98.4	Very high	84.7	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	139.3	166	-164.7	75.8	0	0	0	109.8	I16 F55 V79 S127 E136 I137 F140 F141	L14-I16 HydrophobicContact CD2-CD1 3.84Å; L14-I16 HydrophobicContact CD2-CG1 3.8Å; L14-I16 HydrophobicContact CG-CG1 4.26Å; L14-F55 HydrophobicContact CD2-CE2 4.06Å; L14-F55 HydrophobicContact CD2-CZ 3.9Å; L14-V79 HydrophobicContact CD1-CG1 3.59Å; L14-V79 HydrophobicContact CD2-CG1 4.44Å; L14-V79 HydrophobicContact CG-CG1 4.24Å; L14-S127 WeakPolarHBondContact CB-OG 3.42Å; L14-S127 PolarHBondContact N-OG 3.12Å; L14-E136 HydrophobicContact CB-CB 4.11Å; L14-E136 HydrophobicContact CD2-CB 3.7Å; L14-E136 HydrophobicContact CG-CB 4.43Å; L14-I137 HydrophobicContact CB-CG1 4.19Å; L14-I137 HydrophobicContact CD1-CG1 4.09Å; L14-F140 HydrophobicContact CD1-CD2 4.06Å; L14-F140 HydrophobicContact CD2-CD2 3.64Å; L14-F140 HydrophobicContact CD2-CE2 3.62Å; L14-F141 HydrophobicContact CD1-CE2 4.39Å
15	A	98.7	Very high	87	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	134.3	164.2	0	0	0	0	0	109.7	V79 M80 L82 W91	A15-V79 WeakPolarHBondContact O-CA 2.96Å; A15-M80 HydrophobicContact CB-CB 4.45Å; A15-M80 HydrophobicContact CB-CE 4.47Å; A15-M80 PolarHBondContact N-O 3.41Å; A15-M80 PolarHBondContact O-N 3.08Å; A15-L82 HydrophobicContact CB-CD1 3.59Å; A15-L82 HydrophobicContact CB-CG 3.85Å; A15-W91 HydrophobicContact CB-CD2 4.42Å; A15-W91 HydrophobicContact CB-CH2 4.46Å; A15-W91 HydrophobicContact CB-CZ2 3.59Å
16	I	98.8	Very high	89.4	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	129.2	171	-47.3	175.4	0	0	0	108.9	L14 F55 M72 I77 V78 V79 L124 H125 F140	L14-I16 HydrophobicContact CD2-CD1 3.84Å; L14-I16 HydrophobicContact CD2-CG1 3.8Å; L14-I16 HydrophobicContact CG-CG1 4.26Å; I16-F55 HydrophobicContact CD1-CE1 3.77Å; I16-F55 HydrophobicContact CD1-CZ 3.75Å; I16-M72 HydrophobicContact CG2-CE 4.25Å; I16-I77 HydrophobicContact CG2-CB 3.95Å; I16-I77 HydrophobicContact CG2-CD1 3.91Å; I16-I77 HydrophobicContact CG2-CG1 4.42Å; I16-I77 HydrophobicContact CG2-CG2 4.34Å; I16-V78 CarbonylContact C-O 3.58Å; I16-V78 WeakPolarHBondContact CA-O 2.98Å; I16-V79 HydrophobicContact CG1-CG1 4.35Å; I16-V79 HydrophobicContact CG1-CG2 4.22Å; I16-V79 HydrophobicContact CG2-CG2 4.14Å; I16-L124 WeakPolarHBondContact O-CA 3.18Å; I16-H125 HydrophobicContact CB-CB 4.02Å; I16-H125 HydrophobicContact CD1-CB 4.32Å; I16-H125 HydrophobicContact CG1-CB 4.32Å; I16-H125 PolarHBondContact N-O 3.09Å; I16-H125 PolarHBondContact O-N 2.9Å; I16-F140 HydrophobicContact CD1-CE2 3.89Å; I16-F140 HydrophobicContact CD1-CZ 3.98Å
17	I	98.8	Very high	91.7	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	112.9	164.8	-51	-175.3	0	0	0	107.4	V21 I28 I77 V78 M80 L124	I17-V21 HydrophobicContact CG2-CG2 3.67Å; I17-I28 HydrophobicContact CD1-CB 4.03Å; I17-I28 HydrophobicContact CD1-CD1 4.39Å; I17-I28 HydrophobicContact CD1-CG2 3.87Å; I17-I28 HydrophobicContact CG1-CG2 4.36Å; I17-I28 HydrophobicContact CG2-CD1 4.03Å; I17-I77 WeakPolarHBondContact O-CA 3.36Å; I17-I77 WeakPolarHBondContact O-CB 3.45Å; I17-V78 HydrophobicContact CB-CB 4.12Å; I17-V78 HydrophobicContact CD1-CB 4.32Å; I17-V78 HydrophobicContact CD1-CG1 4.49Å; I17-V78 HydrophobicContact CG1-CB 4.36Å; I17-V78 PolarHBondContact N-O 3.02Å; I17-V78 PolarHBondContact O-N 2.98Å; I17-V78 VanDerWaalsContact O-N 3.09Å; I17-M80 HydrophobicContact CD1-CE 3.73Å; I17-M80 HydrophobicContact CG1-CE 3.87Å; I17-L124 HydrophobicContact CB-CD2 4.3Å; I17-L124 HydrophobicContact CG1-CD2 3.94Å; I17-L124 HydrophobicContact CG2-CD2 4.4Å
18	K	98.6	Very high	93.8	Very high	11 Å²	11	44 Å²	44	5%	0.048	21%	0.212	C	C	.	.			trans	-73.9	164.9	-173.5	-65	-173.2	176	-177.3	0	111.9	D20 V21 V22 F71 M72 N122 G123	K18-D20 VanDerWaalsContact C-N 3.26Å; K18-D20 WeakPolarHBondContact CB-OD1 3.28Å; K18-D20 PolarHBondContact O-N 2.88Å; K18-V21 PolarHBondContact O-N 3.35Å; K18-V22 PolarHBondContact O-N 2.99Å; K18-V22 VanDerWaalsContact O-N 3.12Å; K18-F71 HydrophobicContact CB-CE1 4.38Å; K18-F71 HydrophobicContact CB-CZ 4.44Å; K18-F71 HydrophobicContact CD-CE1 4.07Å; K18-M72 HydrophobicContact CB-SD 4.29Å; K18-M72 HydrophobicContact CD-SD 3.96Å; K18-M72 HydrophobicContact CG-CE 4.31Å; K18-M72 HydrophobicContact CG-SD 3.81Å; K18-N122 WeakPolarHBondContact CE-OD1 3.3Å; K18-N122 PolarHBondContact NZ-OD1 2.85Å; K18-G123 VanDerWaalsContact CB-O 3.3Å; K18-G123 WeakPolarHBondContact CB-O 3.38Å; K18-G123 WeakPolarHBondContact CG-O 3.45Å; K18-G123 PolarHBondContact N-O 3.25Å
19	P	98.6	Very high	95.7	Very high	19 Å²	19	38.1 Å²	38.1	12%	0.123	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-32.1	-172.1	-27.1	37.5	0	0	0	114.7	V21 V22 F71 I77	P19-V21 VanDerWaalsContact C-N 3.29Å; P19-V21 PolarHBondContact O-N 3.23Å; P19-V22 WeakPolarHBondContact O-CG1 3.16Å; P19-F71 HydrophobicContact CB-CE2 4.42Å; P19-I77 HydrophobicContact CG-CG2 3.75Å
20	D	98.3	Very high	97.1	Very high	35 Å²	35	40 Å²	40	19%	0.187	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-31.6	-179.6	56.6	-37.7	0	0	0	113.3	K18 H23 F71 K121 G123	K18-D20 VanDerWaalsContact C-N 3.26Å; K18-D20 WeakPolarHBondContact CB-OD1 3.28Å; K18-D20 PolarHBondContact O-N 2.88Å; D20-H23 PolarHBondContact O-CE1 3.32Å; D20-H23 PolarHBondContact O-ND1 2.84Å; D20-F71 HydrophobicContact CB-CE2 4.24Å; D20-F71 HydrophobicContact CB-CZ 3.93Å; D20-F71 WeakPolarHBondContact OD1-CZ 3.37Å; D20-K121 HydrophobicContact CB-CB 4.21Å; D20-K121 HydrophobicContact CB-CG 4.43Å; D20-K121 WeakPolarHBondContact OD2-CA 3.2Å; D20-K121 WeakPolarHBondContact OD2-CB 3.34Å; D20-K121 VanDerWaalsContact OD2-O 3.12Å; D20-G123 WeakPolarHBondContact OD2-CA 3.2Å; D20-G123 PolarHBondContact OD2-N 3.5Å
21	V	98.2	Very high	97.8	Very high	6 Å²	6	39.7 Å²	39.7	4%	0.036	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.8	10.4	-175.1	-53.2	0	0	0	0	113	I17 K18 P19 H23 K24 I28 Y115 G123	I17-V21 HydrophobicContact CG2-CG2 3.67Å; K18-V21 PolarHBondContact O-N 3.35Å; P19-V21 VanDerWaalsContact C-N 3.29Å; P19-V21 PolarHBondContact O-N 3.23Å; V21-H23 PolarHBondContact O-N 3.33Å; V21-H23 VanDerWaalsContact O-N 3.13Å; V21-K24 WeakPolarHBondContact O-CA 3.43Å; V21-K24 WeakPolarHBondContact O-CB 3.42Å; V21-K24 PolarHBondContact O-N 2.68Å; V21-I28 HydrophobicContact CG2-CD1 4.1Å; V21-Y115 WeakPolarHBondContact CG1-O 3.27Å; V21-G123 WeakPolarHBondContact CG2-O 3.45Å
22	V	97.9	Very high	98.2	Very high	17 Å²	17	38.3 Å²	38.3	10%	0.103	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-58.5	-30.3	-178.6	75.9	0	0	0	0	113.1	K18 P19 K24 S25 P76 V78	K18-V22 PolarHBondContact O-N 2.99Å; K18-V22 VanDerWaalsContact O-N 3.12Å; P19-V22 WeakPolarHBondContact O-CG1 3.16Å; V22-K24 PolarHBondContact O-N 3.27Å; V22-S25 WeakPolarHBondContact O-CB 3.41Å; V22-S25 PolarHBondContact O-N 3Å; V22-S25 VanDerWaalsContact O-N 3.08Å; V22-S25 PolarHBondContact O-OG 3.4Å; V22-P76 HydrophobicContact CG1-CG 4.39Å; V22-P76 WeakPolarHBondContact CG2-O 3.43Å; V22-V78 HydrophobicContact CG2-CG2 3.92Å
23	H	97.8	Very high	98.3	Very high	140 Å²	140	40.6 Å²	40.6	65%	0.648	20%	0.198	S	C	*	.	G	3₁₀ helix	trans	-67.3	-14	175.9	66.5	-82.2	0	0	0	113.1	D20 V21	D20-H23 PolarHBondContact O-CE1 3.32Å; D20-H23 PolarHBondContact O-ND1 2.84Å; V21-H23 PolarHBondContact O-N 3.33Å; V21-H23 VanDerWaalsContact O-N 3.13Å
24	K	98.1	Very high	98.3	Very high	82 Å²	82	49.5 Å²	49.5	36%	0.357	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-101.5	10.8	173.3	-61.2	-60.4	-165.9	160	0	113.3	V21 V22 E26 E27 I28	V21-K24 WeakPolarHBondContact O-CA 3.43Å; V21-K24 WeakPolarHBondContact O-CB 3.42Å; V21-K24 PolarHBondContact O-N 2.68Å; V22-K24 PolarHBondContact O-N 3.27Å; K24-E26 VanDerWaalsContact C-N 3.34Å; K24-E26 PolarHBondContact O-N 3.08Å; K24-E27 IonicContact NZ-OE2 3.83Å; K24-E27 WeakPolarHBondContact O-CB 3.3Å; K24-E27 PolarHBondContact O-N 3Å; K24-I28 HydrophobicContact CB-CD1 4.17Å; K24-I28 PolarHBondContact O-N 2.84Å
25	S	97.9	Very high	98.2	Very high	22 Å²	22	50.7 Å²	50.7	15%	0.154	25%	0.247	C	C	.	.	H	α-helix	trans	-53.6	-44.4	-174.3	45.8	0	0	0	0	113.9	V22 E27 I28 E29	V22-S25 WeakPolarHBondContact O-CB 3.41Å; V22-S25 PolarHBondContact O-N 3Å; V22-S25 VanDerWaalsContact O-N 3.08Å; V22-S25 PolarHBondContact O-OG 3.4Å; S25-E27 VanDerWaalsContact C-N 3.3Å; S25-E27 PolarHBondContact O-N 2.97Å; S25-I28 PolarHBondContact O-N 2.91Å; S25-E29 WeakPolarHBondContact O-CB 3.44Å; S25-E29 VanDerWaalsContact O-CG 3.27Å; S25-E29 WeakPolarHBondContact O-CG 3.38Å; S25-E29 PolarHBondContact O-N 3.43Å
26	E	98.1	Very high	98.1	Very high	140 Å²	140	53 Å²	53	65%	0.654	27%	0.27	S	S	*	.	H	α-helix	trans	-63	-35	178	-64	-175.5	-175.8	0	0	113.5	K24 K30	K24-E26 VanDerWaalsContact C-N 3.34Å; K24-E26 PolarHBondContact O-N 3.08Å; E26-K30 VanDerWaalsContact O-CG 3.29Å; E26-K30 WeakPolarHBondContact O-CG 3.4Å; E26-K30 PolarHBondContact O-N 3.47Å; E26-K30 VanDerWaalsContact O-N 3.16Å
27	E	98.4	Very high	98.1	Very high	83 Å²	83	53.1 Å²	53.1	39%	0.388	27%	0.271	S	S	.	.	H	α-helix	trans	-68.8	-47.7	177.5	-170.6	-171.2	136.8	0	0	110.2	K24 S25 E29 K30 V31 Y115	K24-E27 IonicContact NZ-OE2 3.83Å; K24-E27 WeakPolarHBondContact O-CB 3.3Å; K24-E27 PolarHBondContact O-N 3Å; S25-E27 VanDerWaalsContact C-N 3.3Å; S25-E27 PolarHBondContact O-N 2.97Å; E27-E29 VanDerWaalsContact C-N 3.35Å; E27-E29 PolarHBondContact O-N 3.2Å; E27-K30 WeakPolarHBondContact O-CB 3.32Å; E27-K30 PolarHBondContact O-N 2.85Å; E27-V31 PolarHBondContact O-N 3.32Å; E27-V31 VanDerWaalsContact O-N 3.12Å; E27-Y115 WeakPolarHBondContact OE1-CE1 3.44Å; E27-Y115 PolarHBondContact OE1-OH 3.33Å
28	I	98.4	Very high	97.9	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-63.8	-40.7	178.5	-65.1	166.3	0	0	0	110.7	I17 V21 K24 S25 K30 V31 I32 Y115 L124	I17-I28 HydrophobicContact CD1-CB 4.03Å; I17-I28 HydrophobicContact CD1-CD1 4.39Å; I17-I28 HydrophobicContact CD1-CG2 3.87Å; I17-I28 HydrophobicContact CG1-CG2 4.36Å; I17-I28 HydrophobicContact CG2-CD1 4.03Å; V21-I28 HydrophobicContact CG2-CD1 4.1Å; K24-I28 HydrophobicContact CB-CD1 4.17Å; K24-I28 PolarHBondContact O-N 2.84Å; S25-I28 PolarHBondContact O-N 2.91Å; I28-K30 VanDerWaalsContact C-N 3.33Å; I28-K30 PolarHBondContact O-N 3.27Å; I28-V31 WeakPolarHBondContact O-CB 3.37Å; I28-V31 PolarHBondContact O-N 3.05Å; I28-V31 VanDerWaalsContact O-N 3.09Å; I28-I32 HydrophobicContact CG2-CD1 4.01Å; I28-I32 HydrophobicContact CG2-CG1 4.49Å; I28-I32 WeakPolarHBondContact O-CG1 3.36Å; I28-I32 PolarHBondContact O-N 2.91Å; I28-Y115 HydrophobicContact CD1-CD2 4.36Å; I28-Y115 HydrophobicContact CD1-CE2 4.44Å; I28-Y115 HydrophobicContact CG1-CD2 4.31Å; I28-Y115 HydrophobicContact CG1-CE2 3.9Å; I28-L124 HydrophobicContact CD1-CD2 4.35Å; I28-L124 HydrophobicContact CG2-CD2 4.22Å
29	E	98.3	Very high	97.9	Very high	26 Å²	26	60 Å²	60	12%	0.121	31%	0.307	C	S	.	.	H	α-helix	trans	-60	-41.6	174.8	-78.2	175.5	-150.4	0	0	112	S25 E27 V31 I32 L33 I39 K42 M80	S25-E29 WeakPolarHBondContact O-CB 3.44Å; S25-E29 VanDerWaalsContact O-CG 3.27Å; S25-E29 WeakPolarHBondContact O-CG 3.38Å; S25-E29 PolarHBondContact O-N 3.43Å; E27-E29 VanDerWaalsContact C-N 3.35Å; E27-E29 PolarHBondContact O-N 3.2Å; E29-V31 VanDerWaalsContact C-N 3.29Å; E29-V31 PolarHBondContact O-N 3.36Å; E29-I32 PolarHBondContact O-N 3.16Å; E29-L33 WeakPolarHBondContact O-CG 3.26Å; E29-L33 PolarHBondContact O-N 3.32Å; E29-I39 HydrophobicContact CB-CD1 4.49Å; E29-I39 HydrophobicContact CG-CD1 4.32Å; E29-K42 WeakPolarHBondContact OE1-CD 3.48Å; E29-K42 VanDerWaalsContact OE1-CE 3.22Å; E29-K42 WeakPolarHBondContact OE1-CE 3.43Å; E29-K42 IonicContact OE1-NZ 2.72Å; E29-K42 PolarHBondContact OE1-NZ 3.37Å; E29-K42 IonicContact OE2-NZ 3.58Å; E29-K42 PolarHBondContact OE2-NZ 3.17Å; E29-M80 HydrophobicContact CG-CE 4.28Å; E29-M80 HydrophobicContact CG-SD 3.8Å
30	K	98.4	Very high	97.7	Very high	127 Å²	127	63 Å²	63	55%	0.552	32%	0.322	S	S	*	.	H	α-helix	trans	-61.9	-37.9	173.8	-72	167.1	-173.3	170.2	0	111.7	E26 E27 I28 K34	E26-K30 VanDerWaalsContact O-CG 3.29Å; E26-K30 WeakPolarHBondContact O-CG 3.4Å; E26-K30 PolarHBondContact O-N 3.47Å; E26-K30 VanDerWaalsContact O-N 3.16Å; E27-K30 WeakPolarHBondContact O-CB 3.32Å; E27-K30 PolarHBondContact O-N 2.85Å; I28-K30 VanDerWaalsContact C-N 3.33Å; I28-K30 PolarHBondContact O-N 3.27Å; K30-K34 WeakPolarHBondContact O-CB 3.37Å; K30-K34 VanDerWaalsContact O-CG 3.25Å; K30-K34 WeakPolarHBondContact O-CG 3.47Å; K30-K34 PolarHBondContact O-N 2.64Å
31	V	98.3	Very high	97.6	Very high	48 Å²	48	64.3 Å²	64.3	29%	0.291	33%	0.327	S	S	.	.	H	α-helix	trans	-65.9	-43.9	175.7	177.6	0	0	0	0	111.2	E27 I28 E29 L33 K34 A35 M94 L111	E27-V31 PolarHBondContact O-N 3.32Å; E27-V31 VanDerWaalsContact O-N 3.12Å; I28-V31 WeakPolarHBondContact O-CB 3.37Å; I28-V31 PolarHBondContact O-N 3.05Å; I28-V31 VanDerWaalsContact O-N 3.09Å; E29-V31 VanDerWaalsContact C-N 3.29Å; E29-V31 PolarHBondContact O-N 3.36Å; V31-L33 PolarHBondContact O-N 3.41Å; V31-K34 PolarHBondContact O-N 2.98Å; V31-A35 WeakPolarHBondContact O-CB 3.21Å; V31-A35 PolarHBondContact O-N 3.29Å; V31-M94 HydrophobicContact CG1-CE 4.02Å; V31-L111 HydrophobicContact CG1-CD2 3.99Å
32	I	98.4	Very high	97.6	Very high	0 Å²	0	69.2 Å²	69.2	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-57.5	-49.2	176.2	-70.5	167	0	0	0	110.8	I28 E29 A35 F37 I39 M80 L82 W91	I28-I32 HydrophobicContact CG2-CD1 4.01Å; I28-I32 HydrophobicContact CG2-CG1 4.49Å; I28-I32 WeakPolarHBondContact O-CG1 3.36Å; I28-I32 PolarHBondContact O-N 2.91Å; E29-I32 PolarHBondContact O-N 3.16Å; I32-A35 PolarHBondContact O-N 3.02Å; I32-F37 HydrophobicContact CG2-CB 3.65Å; I32-F37 HydrophobicContact CG2-CG 4.28Å; I32-F37 PolarHBondContact O-N 2.93Å; I32-I39 HydrophobicContact CG2-CD1 4.47Å; I32-I39 HydrophobicContact CG2-CG1 4.24Å; I32-M80 HydrophobicContact CD1-CE 3.67Å; I32-M80 HydrophobicContact CD1-SD 4.41Å; I32-L82 HydrophobicContact CD1-CD1 4.4Å; I32-L82 HydrophobicContact CG2-CD1 3.99Å; I32-L82 HydrophobicContact CG2-CD2 3.75Å; I32-W91 HydrophobicContact CD1-CH2 3.85Å; I32-W91 HydrophobicContact CD1-CZ3 4.04Å; I32-W91 HydrophobicContact CG1-CH2 3.97Å; I32-W91 HydrophobicContact CG1-CZ3 3.66Å
33	L	98.1	Very high	97.5	Very high	96 Å²	96	72.5 Å²	72.5	50%	0.503	36%	0.358	S	S	.	.	H	α-helix	trans	-64.6	-43	179.7	-68.1	172.1	0	0	0	111.9	E29 V31 A35 G36 I39	E29-L33 WeakPolarHBondContact O-CG 3.26Å; E29-L33 PolarHBondContact O-N 3.32Å; V31-L33 PolarHBondContact O-N 3.41Å; L33-A35 PolarHBondContact O-N 3.26Å; L33-G36 PolarHBondContact O-N 3.08Å; L33-I39 HydrophobicContact CD2-CD1 4Å; L33-I39 HydrophobicContact CD2-CG1 4.12Å; L33-I39 HydrophobicContact CG-CD1 4.15Å
34	K	98	Very high	97.6	Very high	188 Å²	188	73.8 Å²	73.8	82%	0.817	36%	0.357	S	S	*	.	H	α-helix	trans	-62.2	-30.1	175.7	-77.7	177.9	179.6	-175.5	0	112.9	K30 V31 G36	K30-K34 WeakPolarHBondContact O-CB 3.37Å; K30-K34 VanDerWaalsContact O-CG 3.25Å; K30-K34 WeakPolarHBondContact O-CG 3.47Å; K30-K34 PolarHBondContact O-N 2.64Å; V31-K34 PolarHBondContact O-N 2.98Å; K34-G36 PolarHBondContact O-N 2.88Å
35	A	96.9	Very high	97.6	Very high	25 Å²	25	71.6 Å²	71.6	21%	0.207	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-0.9	174.4	0	0	0	0	0	113.5	V31 I32 L33 F37 R84 M94	V31-A35 WeakPolarHBondContact O-CB 3.21Å; V31-A35 PolarHBondContact O-N 3.29Å; I32-A35 PolarHBondContact O-N 3.02Å; L33-A35 PolarHBondContact O-N 3.26Å; A35-F37 HydrophobicContact CB-CD2 4.08Å; A35-F37 HydrophobicContact CB-CE2 4.37Å; A35-R84 PolarHBondContact O-NH1 2.93Å; A35-R84 PolarHBondContact O-NH2 3.4Å; A35-M94 HydrophobicContact CB-CE 3.42Å; A35-M94 VanDerWaalsContact CB-CE 3.42Å; A35-M94 HydrophobicContact CB-SD 3.42Å; A35-M94 WeakPolarHBondContact CB-SD 3.28Å
36	G	96	Very high	97.6	Very high	47 Å²	47	75.6 Å²	75.6	49%	0.485	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.1	18.7	175.8	0	0	0	0	0	114.3	L33 K34	L33-G36 PolarHBondContact O-N 3.08Å; K34-G36 PolarHBondContact O-N 2.88Å
37	F	97.8	Very high	97.6	Very high	3 Å²	3	69.1 Å²	69.1	1%	0.013	34%	0.338	C	S	.	.			trans	-80.7	144.5	167.2	-74	-90.8	0	0	0	110.9	I32 A35 L82 R84 A87 L90 W91 M94	I32-F37 HydrophobicContact CG2-CB 3.65Å; I32-F37 HydrophobicContact CG2-CG 4.28Å; I32-F37 PolarHBondContact O-N 2.93Å; A35-F37 HydrophobicContact CB-CD2 4.08Å; A35-F37 HydrophobicContact CB-CE2 4.37Å; F37-L82 HydrophobicContact CD1-CB 3.79Å; F37-L82 HydrophobicContact CD1-CD1 4.21Å; F37-L82 HydrophobicContact CE1-CB 4.43Å; F37-L82 HydrophobicContact CG-CB 4.48Å; F37-L82 HydrophobicContact CG-CD1 4.44Å; F37-R84 HydrophobicContact CD1-CB 3.62Å; F37-R84 HydrophobicContact CD1-CG 4.46Å; F37-R84 HydrophobicContact CE1-CB 3.78Å; F37-R84 HydrophobicContact CG-CB 4.3Å; F37-A87 HydrophobicContact CE1-CB 3.99Å; F37-L90 HydrophobicContact CE2-CB 4.45Å; F37-L90 HydrophobicContact CZ-CB 3.79Å; F37-W91 HydrophobicContact CE1-CB 4.28Å; F37-W91 HydrophobicContact CZ-CB 4.04Å; F37-M94 HydrophobicContact CD2-SD 4.32Å; F37-M94 HydrophobicContact CE2-SD 3.63Å
38	L	96.4	Very high	97.5	Very high	110 Å²	110	67 Å²	67	58%	0.576	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.1	134.8	163.9	-59.4	177.9	0	0	0	109.3	L40 L82 A83	L38-L40 HydrophobicContact CB-CD2 4.38Å; L38-L82 CarbonylContact O-C 3.1Å; L38-L82 VanDerWaalsContact O-CA 3.3Å; L38-L82 WeakPolarHBondContact O-CA 3.14Å; L38-A83 HydrophobicContact CB-CB 4.35Å; L38-A83 PolarHBondContact N-O 2.96Å; L38-A83 PolarHBondContact O-N 2.85Å
39	I	96.8	Very high	97.4	Very high	47 Å²	47	69.9 Å²	69.9	24%	0.241	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	104.6	170.3	-58.1	172.1	0	0	0	107.1	E29 I32 L33 K42 M80 L82	E29-I39 HydrophobicContact CB-CD1 4.49Å; E29-I39 HydrophobicContact CG-CD1 4.32Å; I32-I39 HydrophobicContact CG2-CD1 4.47Å; I32-I39 HydrophobicContact CG2-CG1 4.24Å; L33-I39 HydrophobicContact CD2-CD1 4Å; L33-I39 HydrophobicContact CD2-CG1 4.12Å; L33-I39 HydrophobicContact CG-CD1 4.15Å; I39-K42 HydrophobicContact CG2-CB 4.14Å; I39-M80 HydrophobicContact CD1-SD 3.97Å; I39-M80 HydrophobicContact CG1-SD 4.4Å; I39-M80 HydrophobicContact CG2-CB 4.32Å; I39-M80 HydrophobicContact CG2-CG 4.15Å; I39-M80 HydrophobicContact CG2-SD 4.25Å; I39-L82 HydrophobicContact CG1-CD2 3.83Å
40	L	94.9	Very high	97.4	Very high	81 Å²	81	74.8 Å²	74.8	42%	0.424	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	-41.2	-177.6	-62.5	-175	0	0	0	112.1	R12 L38 T81 A83	R12-L40 HydrophobicContact CG-CD1 4.19Å; L38-L40 HydrophobicContact CB-CD2 4.38Å; L40-T81 HydrophobicContact CB-CG2 4.43Å; L40-T81 HydrophobicContact CD1-CG2 4.33Å; L40-T81 PolarHBondContact N-O 3.29Å; L40-A83 HydrophobicContact CD1-CB 3.63Å; L40-A83 HydrophobicContact CD2-CB 4.07Å; L40-A83 HydrophobicContact CG-CB 3.73Å
41	Q	96.4	Very high	97.3	Very high	63 Å²	63	72.8 Å²	72.8	29%	0.294	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	146.1	-179.1	-68.8	170.3	-52.8	0	0	108.5	M80 T81 F141 T144	Q41-M80 CarbonylContact O-C 2.98Å; Q41-M80 VanDerWaalsContact O-CA 3.23Å; Q41-M80 WeakPolarHBondContact O-CA 3.33Å; Q41-T81 PolarHBondContact O-N 2.89Å; Q41-F141 HydrophobicContact CB-CD1 3.96Å; Q41-F141 HydrophobicContact CB-CE1 3.72Å; Q41-F141 HydrophobicContact CB-CE2 4.33Å; Q41-F141 HydrophobicContact CB-CG 4.37Å; Q41-F141 HydrophobicContact CB-CZ 3.91Å; Q41-F141 HydrophobicContact CG-CD1 4.46Å; Q41-T144 PolarHBondContact NE2-OG1 3.44Å; Q41-T144 VanDerWaalsContact NE2-OG1 3.08Å; Q41-T144 PolarHBondContact OE1-OG1 3.43Å
42	K	97.6	Very high	97.3	Very high	108 Å²	108	70.5 Å²	70.5	47%	0.47	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	137.4	178	172.2	175.7	147.6	176.2	0	109.2	E29 I39 V78 V79 M80	E29-K42 WeakPolarHBondContact OE1-CD 3.48Å; E29-K42 VanDerWaalsContact OE1-CE 3.22Å; E29-K42 WeakPolarHBondContact OE1-CE 3.43Å; E29-K42 IonicContact OE1-NZ 2.72Å; E29-K42 PolarHBondContact OE1-NZ 3.37Å; E29-K42 IonicContact OE2-NZ 3.58Å; E29-K42 PolarHBondContact OE2-NZ 3.17Å; I39-K42 HydrophobicContact CG2-CB 4.14Å; K42-V78 HydrophobicContact CD-CG1 4.37Å; K42-V78 HydrophobicContact CG-CG1 4.11Å; K42-V79 CarbonylContact C-O 3.59Å; K42-V79 VanDerWaalsContact CA-O 3.3Å; K42-V79 WeakPolarHBondContact CA-O 3.46Å; K42-M80 HydrophobicContact CB-CG 4.01Å; K42-M80 HydrophobicContact CD-CG 4.39Å; K42-M80 HydrophobicContact CG-CG 3.97Å
43	R	97.3	Very high	97.2	Very high	87 Å²	87	72.4 Å²	72.4	33%	0.328	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	146.8	169.1	61.8	176.7	-155.1	175.7	5.1	111.5	L45 V79 F140 F141	R43-L45 HydrophobicContact CG-CD2 3.77Å; R43-V79 HydrophobicContact CG-CB 4.28Å; R43-V79 PolarHBondContact N-O 2.95Å; R43-V79 PolarHBondContact O-N 2.93Å; R43-F140 PolarHBondContact NE-O 3.2Å; R43-F140 PolarHBondContact NH1-O 3.4Å; R43-F140 PolarHBondContact NH2-O 3.31Å; R43-F141 HydrophobicContact CB-CE1 4.26Å; R43-F141 HydrophobicContact CG-CE1 3.69Å; R43-F141 HydrophobicContact CG-CZ 3.8Å
44	R	98.3	Very high	97.1	Very high	167 Å²	167	74 Å²	74	63%	0.63	37%	0.371	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.4	126.8	170.6	-173.4	175.3	-175.5	-98.6	6	108.3	P76 I77 V78	R44-P76 HydrophobicContact CG-CB 4.48Å; R44-I77 WeakPolarHBondContact CA-O 3.46Å; R44-V78 HydrophobicContact CB-CG2 4.27Å; R44-V78 HydrophobicContact CG-CG2 4.09Å
45	L	98.1	Very high	97.1	Very high	35 Å²	35	65.5 Å²	65.5	18%	0.183	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	165.1	-177.3	66.6	160.7	0	0	0	111.4	R43 L47 P76 I77 V79 F140	R43-L45 HydrophobicContact CG-CD2 3.77Å; L45-L47 HydrophobicContact CD1-CD2 3.59Å; L45-L47 HydrophobicContact CD1-CG 4.28Å; L45-L47 HydrophobicContact CG-CD2 4.47Å; L45-P76 CarbonylContact O-C 3.44Å; L45-P76 VanDerWaalsContact O-CA 3.3Å; L45-P76 WeakPolarHBondContact O-CA 3.43Å; L45-I77 HydrophobicContact CD2-CD1 4.34Å; L45-I77 HydrophobicContact CD2-CG1 4.05Å; L45-I77 HydrophobicContact CG-CD1 4.44Å; L45-I77 HydrophobicContact CG-CG1 4.13Å; L45-I77 PolarHBondContact N-O 3.44Å; L45-I77 VanDerWaalsContact N-O 3.08Å; L45-I77 WeakPolarHBondContact O-CG1 3.41Å; L45-I77 PolarHBondContact O-N 3.39Å; L45-V79 HydrophobicContact CD2-CB 4.32Å; L45-V79 HydrophobicContact CD2-CG2 3.72Å; L45-F140 HydrophobicContact CD1-CD1 4.32Å; L45-F140 HydrophobicContact CD1-CE1 4.28Å; L45-F140 HydrophobicContact CD2-CD1 4.45Å
46	L	98.4	Very high	97	Very high	106 Å²	106	64.7 Å²	64.7	56%	0.555	33%	0.326	S	S	*	.			trans	-112.2	124.8	167.6	174.8	64.4	0	0	0	107.1	S73 G75	L46-S73 WeakPolarHBondContact CD1-O 3.45Å; L46-G75 WeakPolarHBondContact CD1-O 3.43Å
47	L	97.8	Very high	97	Very high	4 Å²	4	65.2 Å²	65.2	2%	0.021	33%	0.325	C	S	.	.			trans	-86.5	143.7	177	-68.3	175.9	0	0	0	110.4	L45 Q51 C52 S73 I77 F140	L45-L47 HydrophobicContact CD1-CD2 3.59Å; L45-L47 HydrophobicContact CD1-CG 4.28Å; L45-L47 HydrophobicContact CG-CD2 4.47Å; L47-Q51 HydrophobicContact CB-CB 4.32Å; L47-Q51 HydrophobicContact CD2-CB 4.01Å; L47-C52 WeakPolarHBondContact CB-SG 3.32Å; L47-S73 WeakPolarHBondContact O-CA 3.4Å; L47-S73 VanDerWaalsContact O-CB 3.25Å; L47-S73 WeakPolarHBondContact O-CB 3.21Å; L47-I77 HydrophobicContact CD1-CD1 3.66Å; L47-I77 HydrophobicContact CG-CD1 3.95Å; L47-F140 HydrophobicContact CD1-CE1 4.11Å; L47-F140 HydrophobicContact CD1-CZ 4.13Å; L47-F140 HydrophobicContact CD2-CE1 4.06Å
48	S	98.1	Very high	96.7	Very high	39 Å²	39	69.1 Å²	69.1	27%	0.273	34%	0.344	S	S	.	.			trans	-72.1	159.4	165.7	87.8	0	0	0	0	110.7	E50 Q51 C52	S48-E50 WeakPolarHBondContact CB-OE2 3.42Å; S48-E50 PolarHBondContact O-N 3.49Å; S48-E50 PolarHBondContact OG-N 3.06Å; S48-E50 PolarHBondContact OG-OE2 2.95Å; S48-Q51 PolarHBondContact O-N 2.94Å; S48-Q51 PolarHBondContact OG-N 3.36Å; S48-C52 PolarHBondContact O-N 3.42Å
49	P	96.3	Very high	96.5	Very high	60 Å²	60	65.3 Å²	65.3	39%	0.39	32%	0.323	S	S	.	.	H	α-helix	trans	-54.3	-35.1	172.2	-25.2	34.9	0	0	0	113.4	C52 S53 T69	P49-C52 PolarHBondContact O-N 2.9Å; P49-S53 WeakPolarHBondContact O-CB 3.38Å; P49-S53 PolarHBondContact O-N 3.35Å; P49-S53 PolarHBondContact O-OG 2.91Å; P49-T69 HydrophobicContact CB-CG2 4.19Å; P49-T69 WeakPolarHBondContact O-CG2 3.19Å
50	E	96.4	Very high	96.3	Very high	130 Å²	130	71.9 Å²	71.9	61%	0.607	35%	0.346	S	S	*	.	H	α-helix	trans	-67.7	-47.3	178.4	-57.6	68.7	-144.8	0	0	110.5	S48 C52 S53 E54	S48-E50 WeakPolarHBondContact CB-OE2 3.42Å; S48-E50 PolarHBondContact O-N 3.49Å; S48-E50 PolarHBondContact OG-N 3.06Å; S48-E50 PolarHBondContact OG-OE2 2.95Å; E50-C52 VanDerWaalsContact C-N 3.33Å; E50-C52 PolarHBondContact O-N 3.37Å; E50-S53 WeakPolarHBondContact O-CB 3.08Å; E50-S53 PolarHBondContact O-N 3.38Å; E50-S53 VanDerWaalsContact O-N 3.12Å; E50-E54 PolarHBondContact O-N 2.95Å
51	Q	97.3	Very high	96.2	Very high	84 Å²	84	71.3 Å²	71.3	39%	0.393	36%	0.36	S	S	.	.	H	α-helix	trans	-62.7	-39.3	176.3	-67.2	175.4	-34.4	0	0	112	L47 S48 S53 E54 F55 F139	L47-Q51 HydrophobicContact CB-CB 4.32Å; L47-Q51 HydrophobicContact CD2-CB 4.01Å; S48-Q51 PolarHBondContact O-N 2.94Å; S48-Q51 PolarHBondContact OG-N 3.36Å; Q51-S53 VanDerWaalsContact C-N 3.34Å; Q51-E54 PolarHBondContact O-N 3.25Å; Q51-F55 WeakPolarHBondContact O-CB 3.17Å; Q51-F55 PolarHBondContact O-N 3.11Å; Q51-F139 HydrophobicContact CB-CZ 4.4Å; Q51-F139 WeakPolarHBondContact O-CZ 3.29Å
52	C	97.8	Very high	96.1	Very high	0 Å²	0	73 Å²	73	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-61.7	-43	173	-77.2	0	0	0	0	111.7	L47 S48 P49 E50 F55 Y56 T69 M72 S73	L47-C52 WeakPolarHBondContact CB-SG 3.32Å; S48-C52 PolarHBondContact O-N 3.42Å; P49-C52 PolarHBondContact O-N 2.9Å; E50-C52 VanDerWaalsContact C-N 3.33Å; E50-C52 PolarHBondContact O-N 3.37Å; C52-F55 PolarHBondContact O-N 2.95Å; C52-Y56 WeakPolarHBondContact O-CD2 3.22Å; C52-Y56 PolarHBondContact O-N 3.5Å; C52-T69 HydrophobicContact CB-CG2 3.73Å; C52-M72 HydrophobicContact CB-CB 4.42Å; C52-M72 VanDerWaalsContact SG-C 3.5Å; C52-M72 VanDerWaalsContact SG-CB 3.52Å; C52-S73 PolarHBondContact SG-N 3.12Å
53	S	96.6	Very high	95.9	Very high	40 Å²	40	76.2 Å²	76.2	28%	0.28	39%	0.387	S	S	.	.	H	α-helix	trans	-65.3	-41.3	179.2	-59.8	0	0	0	0	111.7	P49 E50 Q51 Y56 A57 T69	P49-S53 WeakPolarHBondContact O-CB 3.38Å; P49-S53 PolarHBondContact O-N 3.35Å; P49-S53 PolarHBondContact O-OG 2.91Å; E50-S53 WeakPolarHBondContact O-CB 3.08Å; E50-S53 PolarHBondContact O-N 3.38Å; E50-S53 VanDerWaalsContact O-N 3.12Å; Q51-S53 VanDerWaalsContact C-N 3.34Å; S53-Y56 CarbonylContact O-C 3.55Å; S53-Y56 PolarHBondContact O-N 3.34Å; S53-A57 WeakPolarHBondContact O-CA 3.45Å; S53-A57 PolarHBondContact O-N 2.65Å; S53-T69 WeakPolarHBondContact OG-CG2 3.14Å
54	E	96.3	Very high	95.7	Very high	131 Å²	131	77 Å²	77	61%	0.612	39%	0.393	S	S	*	.	H	α-helix	trans	-62.9	-48.3	175	-171.1	-174.9	173.3	0	0	111.2	E50 Q51 Y56 A57 F139	E50-E54 PolarHBondContact O-N 2.95Å; Q51-E54 PolarHBondContact O-N 3.25Å; E54-Y56 VanDerWaalsContact C-N 3.33Å; E54-Y56 PolarHBondContact O-N 3.34Å; E54-A57 VanDerWaalsContact O-CB 3.29Å; E54-A57 WeakPolarHBondContact O-CB 3.45Å; E54-A57 PolarHBondContact O-N 3.41Å; E54-F139 HydrophobicContact CB-CE2 4.23Å; E54-F139 HydrophobicContact CG-CE2 3.97Å
55	F	97.4	Very high	95.6	Very high	9 Å²	9	70 Å²	70	4%	0.039	37%	0.367	C	S	.	.	H	α-helix	trans	-60.2	-41.8	178.6	-178.8	-106.1	0	0	0	112.4	L14 I16 Q51 C52 H125 E136 F139 F140	L14-F55 HydrophobicContact CD2-CE2 4.06Å; L14-F55 HydrophobicContact CD2-CZ 3.9Å; I16-F55 HydrophobicContact CD1-CE1 3.77Å; I16-F55 HydrophobicContact CD1-CZ 3.75Å; Q51-F55 WeakPolarHBondContact O-CB 3.17Å; Q51-F55 PolarHBondContact O-N 3.11Å; C52-F55 PolarHBondContact O-N 2.95Å; F55-H125 AromaticContact CZ-NE2 3.78Å; F55-E136 HydrophobicContact CE2-CB 3.84Å; F55-E136 HydrophobicContact CE2-CG 3.6Å; F55-E136 HydrophobicContact CZ-CB 4.3Å; F55-E136 HydrophobicContact CZ-CG 3.88Å; F55-F139 HydrophobicContact CB-CD1 4.42Å; F55-F139 HydrophobicContact CB-CE1 3.95Å; F55-F139 HydrophobicContact CB-CE2 4.34Å; F55-F139 HydrophobicContact CB-CZ 3.91Å; F55-F139 HydrophobicContact CD2-CB 4.43Å; F55-F139 AromaticContact CD2-CD1 3.7Å; F55-F139 HydrophobicContact CD2-CD1 3.7Å; F55-F139 HydrophobicContact CD2-CE1 4.06Å; F55-F139 AromaticContact CD2-CG 3.98Å; F55-F139 HydrophobicContact CD2-CG 3.98Å; F55-F139 HydrophobicContact CE2-CD1 4.49Å; F55-F139 HydrophobicContact CG-CD1 4.41Å; F55-F139 HydrophobicContact CG-CE1 4.33Å; F55-F140 AromaticContact CD2-CE2 3.62Å; F55-F140 HydrophobicContact CD2-CE2 3.62Å; F55-F140 HydrophobicContact CD2-CZ 4.06Å; F55-F140 HydrophobicContact CE1-CE2 4.45Å; F55-F140 HydrophobicContact CE2-CD2 4.15Å; F55-F140 AromaticContact CE2-CE2 3.32Å; F55-F140 HydrophobicContact CE2-CE2 3.32Å; F55-F140 HydrophobicContact CE2-CZ 4.12Å; F55-F140 HydrophobicContact CG-CE2 4.32Å; F55-F140 HydrophobicContact CG-CZ 4.36Å; F55-F140 AromaticContact CZ-CE2 3.8Å; F55-F140 HydrophobicContact CZ-CE2 3.8Å; F55-F140 HydrophobicContact CZ-CZ 4.45Å
56	Y	96.1	Very high	95.6	Very high	8 Å²	8	72.4 Å²	72.4	3%	0.031	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	19.6	178.9	-69.7	-68.7	0	0	0	114	C52 S53 E54 H58 Q59 F65 L68 M72 H125	C52-Y56 WeakPolarHBondContact O-CD2 3.22Å; C52-Y56 PolarHBondContact O-N 3.5Å; S53-Y56 CarbonylContact O-C 3.55Å; S53-Y56 PolarHBondContact O-N 3.34Å; E54-Y56 VanDerWaalsContact C-N 3.33Å; E54-Y56 PolarHBondContact O-N 3.34Å; Y56-H58 PolarHBondContact O-N 2.97Å; Y56-Q59 HydrophobicContact CD1-CG 4.42Å; Y56-Q59 WeakPolarHBondContact O-CA 3.48Å; Y56-Q59 WeakPolarHBondContact O-CB 3.36Å; Y56-Q59 PolarHBondContact O-N 3.17Å; Y56-F65 VanDerWaalsContact O-CE2 3.26Å; Y56-F65 WeakPolarHBondContact O-CE2 3.48Å; Y56-L68 HydrophobicContact CD1-CD2 3.68Å; Y56-L68 HydrophobicContact CD1-CG 4.49Å; Y56-L68 HydrophobicContact CD2-CD2 4.04Å; Y56-L68 HydrophobicContact CD2-CG 4.06Å; Y56-L68 HydrophobicContact CE1-CD2 4.08Å; Y56-L68 HydrophobicContact CE2-CD1 4.27Å; Y56-L68 HydrophobicContact CE2-CD2 4.42Å; Y56-L68 HydrophobicContact CE2-CG 4.24Å; Y56-L68 HydrophobicContact CG-CD2 3.66Å; Y56-L68 HydrophobicContact CG-CG 4.2Å; Y56-M72 HydrophobicContact CE2-CB 4.26Å; Y56-M72 HydrophobicContact CE2-CE 4.28Å; Y56-M72 HydrophobicContact CE2-CG 3.72Å; Y56-H125 AromaticContact CE1-ND1 3.91Å
57	A	95.1	Very high	95.5	Very high	57 Å²	57	70.4 Å²	70.4	47%	0.471	38%	0.38	S	S	.	.	G	3₁₀ helix	trans	-54.7	-30.8	-174.5	0	0	0	0	0	114.1	S53 E54 Q59 Y60	S53-A57 WeakPolarHBondContact O-CA 3.45Å; S53-A57 PolarHBondContact O-N 2.65Å; E54-A57 VanDerWaalsContact O-CB 3.29Å; E54-A57 WeakPolarHBondContact O-CB 3.45Å; E54-A57 PolarHBondContact O-N 3.41Å; A57-Q59 PolarHBondContact O-N 3Å; A57-Y60 WeakPolarHBondContact O-CB 3.48Å; A57-Y60 PolarHBondContact O-N 3.5Å
58	H	91.5	Very high	95.5	Very high	86 Å²	86	70.9 Å²	70.9	40%	0.398	38%	0.382	S	S	.	.	G	3₁₀ helix	trans	-65.6	-13.2	174.7	67.6	-79.7	0	0	0	114.5	Y56	Y56-H58 PolarHBondContact O-N 2.97Å
59	Q	93.1	Very high	95.5	Very high	29 Å²	29	69.5 Å²	69.5	14%	0.136	37%	0.372	C	S	.	.	G	3₁₀ helix	trans	-98.4	0.9	174.5	-55.1	-67.4	-20.3	0	0	112.1	Y56 A57 K62 F65 L68	Y56-Q59 HydrophobicContact CD1-CG 4.42Å; Y56-Q59 WeakPolarHBondContact O-CA 3.48Å; Y56-Q59 WeakPolarHBondContact O-CB 3.36Å; Y56-Q59 PolarHBondContact O-N 3.17Å; A57-Q59 PolarHBondContact O-N 3Å; Q59-K62 WeakPolarHBondContact O-CB 3.23Å; Q59-K62 WeakPolarHBondContact O-CG 3.27Å; Q59-K62 PolarHBondContact O-N 2.72Å; Q59-F65 HydrophobicContact CB-CD2 3.83Å; Q59-F65 HydrophobicContact CB-CE2 4.43Å; Q59-L68 HydrophobicContact CG-CD2 4.47Å
60	Y	92.3	Very high	95.6	Very high	186 Å²	186	69.3 Å²	69.3	73%	0.729	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	141.3	178.7	-176.3	-98	0	0	0	111.5	A57 K62 F65	A57-Y60 WeakPolarHBondContact O-CB 3.48Å; A57-Y60 PolarHBondContact O-N 3.5Å; Y60-K62 VanDerWaalsContact C-N 3.29Å; Y60-K62 PolarHBondContact O-N 2.7Å; Y60-F65 HydrophobicContact CD2-CD1 4.24Å; Y60-F65 AromaticContact CD2-CE1 3.8Å; Y60-F65 HydrophobicContact CD2-CE1 3.8Å; Y60-F65 HydrophobicContact CD2-CZ 4.33Å
61	G	92	Very high	95.7	Very high	69 Å²	69	64 Å²	64	71%	0.711	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.4	-9.7	-176.9	0	0	0	0	0	115.2
62	K	94.3	Very high	95.7	Very high	98 Å²	98	60 Å²	60	43%	0.426	33%	0.332	S	S	.	.	S	Bend	trans	-78.5	142.7	172.5	-61.5	-173.4	-174.5	-179.3	0	111	Q59 Y60 F64 F65	Q59-K62 WeakPolarHBondContact O-CB 3.23Å; Q59-K62 WeakPolarHBondContact O-CG 3.27Å; Q59-K62 PolarHBondContact O-N 2.72Å; Y60-K62 VanDerWaalsContact C-N 3.29Å; Y60-K62 PolarHBondContact O-N 2.7Å; K62-F64 HydrophobicContact CB-CD1 4.07Å; K62-F64 HydrophobicContact CB-CE1 3.76Å; K62-F64 HydrophobicContact CB-CZ 4.08Å; K62-F64 HydrophobicContact CD-CE1 3.58Å; K62-F64 HydrophobicContact CD-CZ 3.5Å; K62-F64 HydrophobicContact CG-CE1 4.28Å; K62-F64 HydrophobicContact CG-CZ 4.44Å; K62-F64 PolarHBondContact O-N 3.43Å; K62-F64 VanDerWaalsContact O-N 3.11Å; K62-F65 WeakPolarHBondContact O-CB 3.22Å; K62-F65 PolarHBondContact O-N 2.88Å
63	L	94.4	Very high	95.7	Very high	176 Å²	176	61 Å²	61	92%	0.921	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-33.1	-177.2	-70	172.2	0	0	0	113.8
64	F	93.5	Very high	95.8	Very high	103 Å²	103	63.1 Å²	63.1	45%	0.452	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-6.6	-179.6	65.6	-98.3	0	0	0	114.1	K62 S67 L68	K62-F64 HydrophobicContact CB-CD1 4.07Å; K62-F64 HydrophobicContact CB-CE1 3.76Å; K62-F64 HydrophobicContact CB-CZ 4.08Å; K62-F64 HydrophobicContact CD-CE1 3.58Å; K62-F64 HydrophobicContact CD-CZ 3.5Å; K62-F64 HydrophobicContact CG-CE1 4.28Å; K62-F64 HydrophobicContact CG-CZ 4.44Å; K62-F64 PolarHBondContact O-N 3.43Å; K62-F64 VanDerWaalsContact O-N 3.11Å; F64-S67 PolarHBondContact O-N 2.66Å; F64-L68 HydrophobicContact CD2-CB 4.34Å; F64-L68 HydrophobicContact CD2-CD2 4.49Å; F64-L68 HydrophobicContact CE2-CD2 4.21Å; F64-L68 PolarHBondContact O-N 3.25Å
65	F	96	Very high	95.9	Very high	20 Å²	20	57.3 Å²	57.3	9%	0.088	33%	0.33	C	S	.	.	H	α-helix	trans	-58.7	-46.3	-173.7	176.8	-104.8	0	0	0	113.5	Y56 Q59 Y60 K62 S67 L68 T69	Y56-F65 VanDerWaalsContact O-CE2 3.26Å; Y56-F65 WeakPolarHBondContact O-CE2 3.48Å; Q59-F65 HydrophobicContact CB-CD2 3.83Å; Q59-F65 HydrophobicContact CB-CE2 4.43Å; Y60-F65 HydrophobicContact CD2-CD1 4.24Å; Y60-F65 AromaticContact CD2-CE1 3.8Å; Y60-F65 HydrophobicContact CD2-CE1 3.8Å; Y60-F65 HydrophobicContact CD2-CZ 4.33Å; K62-F65 WeakPolarHBondContact O-CB 3.22Å; K62-F65 PolarHBondContact O-N 2.88Å; F65-S67 VanDerWaalsContact C-N 3.3Å; F65-S67 PolarHBondContact O-N 2.94Å; F65-L68 WeakPolarHBondContact O-CB 3.47Å; F65-L68 PolarHBondContact O-N 2.8Å; F65-L68 VanDerWaalsContact O-N 3.16Å; F65-T69 PolarHBondContact O-N 3.08Å; F65-T69 PolarHBondContact O-OG1 2.87Å
66	P	97.1	Very high	96	Very high	85 Å²	85	58.9 Å²	58.9	55%	0.552	34%	0.341	S	S	*	.	H	α-helix	trans	-59.5	-41.3	176.8	-24.5	35.6	0	0	0	112.7	T69 A70	P66-T69 PolarHBondContact O-N 3.23Å; P66-A70 WeakPolarHBondContact O-CB 3.44Å; P66-A70 PolarHBondContact O-N 3.47Å
67	S	97.4	Very high	96.1	Very high	65 Å²	65	58.5 Å²	58.5	46%	0.455	34%	0.339	S	S	.	.	H	α-helix	trans	-67.1	-36.8	177.6	-56.4	0	0	0	0	112.3	F64 F65 F71	F64-S67 PolarHBondContact O-N 2.66Å; F65-S67 VanDerWaalsContact C-N 3.3Å; F65-S67 PolarHBondContact O-N 2.94Å; S67-F71 WeakPolarHBondContact O-CB 3.41Å; S67-F71 PolarHBondContact O-N 2.95Å
68	L	96.9	Very high	96.3	Very high	13 Å²	13	55.9 Å²	55.9	7%	0.068	32%	0.317	C	S	.	.	H	α-helix	trans	-61.7	-50.5	173.9	176.6	61.6	0	0	0	111.3	Y56 Q59 F64 F65 F71 M72 L120	Y56-L68 HydrophobicContact CD1-CD2 3.68Å; Y56-L68 HydrophobicContact CD1-CG 4.49Å; Y56-L68 HydrophobicContact CD2-CD2 4.04Å; Y56-L68 HydrophobicContact CD2-CG 4.06Å; Y56-L68 HydrophobicContact CE1-CD2 4.08Å; Y56-L68 HydrophobicContact CE2-CD1 4.27Å; Y56-L68 HydrophobicContact CE2-CD2 4.42Å; Y56-L68 HydrophobicContact CE2-CG 4.24Å; Y56-L68 HydrophobicContact CG-CD2 3.66Å; Y56-L68 HydrophobicContact CG-CG 4.2Å; Q59-L68 HydrophobicContact CG-CD2 4.47Å; F64-L68 HydrophobicContact CD2-CB 4.34Å; F64-L68 HydrophobicContact CD2-CD2 4.49Å; F64-L68 HydrophobicContact CE2-CD2 4.21Å; F64-L68 PolarHBondContact O-N 3.25Å; F65-L68 WeakPolarHBondContact O-CB 3.47Å; F65-L68 PolarHBondContact O-N 2.8Å; F65-L68 VanDerWaalsContact O-N 3.16Å; L68-F71 PolarHBondContact O-N 2.94Å; L68-M72 HydrophobicContact CD1-CG 3.96Å; L68-M72 WeakPolarHBondContact O-CB 3.35Å; L68-M72 WeakPolarHBondContact O-CG 3.4Å; L68-M72 PolarHBondContact O-N 3.3Å; L68-L120 HydrophobicContact CB-CD1 4.31Å; L68-L120 HydrophobicContact CD1-CD1 4.22Å
69	T	97.7	Very high	96.6	Very high	10 Å²	10	51.8 Å²	51.8	6%	0.061	30%	0.298	C	S	.	.	H	α-helix	trans	-59.1	-50.6	177.9	-64.9	0	0	0	0	111.3	P49 C52 S53 F65 P66 F71 M72 S73	P49-T69 HydrophobicContact CB-CG2 4.19Å; P49-T69 WeakPolarHBondContact O-CG2 3.19Å; C52-T69 HydrophobicContact CB-CG2 3.73Å; S53-T69 WeakPolarHBondContact OG-CG2 3.14Å; F65-T69 PolarHBondContact O-N 3.08Å; F65-T69 PolarHBondContact O-OG1 2.87Å; P66-T69 PolarHBondContact O-N 3.23Å; T69-F71 VanDerWaalsContact C-N 3.32Å; T69-F71 PolarHBondContact O-N 3.46Å; T69-M72 PolarHBondContact O-N 2.87Å; T69-S73 PolarHBondContact O-N 2.82Å; T69-S73 PolarHBondContact O-OG 2.92Å
70	A	97.9	Very high	96.9	Very high	57 Å²	57	50.4 Å²	50.4	47%	0.471	29%	0.292	S	S	.	.	H	α-helix	trans	-62.4	-38.2	-179	0	0	0	0	0	112.5	P66 S73 S74	P66-A70 WeakPolarHBondContact O-CB 3.44Å; P66-A70 PolarHBondContact O-N 3.47Å; A70-S73 PolarHBondContact O-OG 3.26Å; A70-S74 WeakPolarHBondContact O-CB 3.22Å; A70-S74 PolarHBondContact O-N 3.49Å
71	F	98.4	Very high	97.1	Very high	17 Å²	17	41.5 Å²	41.5	8%	0.075	26%	0.257	C	S	.	.	H	α-helix	trans	-68.5	-45.5	176.5	170.5	-121.1	0	0	0	112	K18 P19 D20 S67 L68 T69 S73 S74 L120 K121	K18-F71 HydrophobicContact CB-CE1 4.38Å; K18-F71 HydrophobicContact CB-CZ 4.44Å; K18-F71 HydrophobicContact CD-CE1 4.07Å; P19-F71 HydrophobicContact CB-CE2 4.42Å; D20-F71 HydrophobicContact CB-CE2 4.24Å; D20-F71 HydrophobicContact CB-CZ 3.93Å; D20-F71 WeakPolarHBondContact OD1-CZ 3.37Å; S67-F71 WeakPolarHBondContact O-CB 3.41Å; S67-F71 PolarHBondContact O-N 2.95Å; L68-F71 PolarHBondContact O-N 2.94Å; T69-F71 VanDerWaalsContact C-N 3.32Å; T69-F71 PolarHBondContact O-N 3.46Å; F71-S73 PolarHBondContact O-N 2.69Å; F71-S74 WeakPolarHBondContact O-CB 2.9Å; F71-S74 PolarHBondContact O-N 3.4Å; F71-S74 VanDerWaalsContact O-N 3.08Å; F71-S74 PolarHBondContact O-OG 2.9Å; F71-L120 HydrophobicContact CB-CD1 4.12Å; F71-L120 HydrophobicContact CB-CD2 4.01Å; F71-L120 HydrophobicContact CB-CG 4.09Å; F71-L120 HydrophobicContact CD1-CD1 3.95Å; F71-L120 HydrophobicContact CD1-CG 3.85Å; F71-L120 WeakPolarHBondContact CE1-O 3.3Å; F71-L120 HydrophobicContact CG-CD1 4.33Å; F71-L120 HydrophobicContact CG-CD2 4.32Å; F71-L120 HydrophobicContact CG-CG 4.02Å; F71-K121 HydrophobicContact CD2-CG 4.37Å; F71-K121 HydrophobicContact CE1-CG 4.39Å; F71-K121 HydrophobicContact CE2-CD 4.4Å; F71-K121 HydrophobicContact CE2-CG 3.8Å; F71-K121 HydrophobicContact CZ-CB 4.32Å; F71-K121 HydrophobicContact CZ-CG 3.81Å
72	M	98.3	Very high	97.4	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-69.2	-23.8	-177.5	-71.5	-66.1	-58.3	0	0	112.8	I16 K18 C52 Y56 L68 T69 I77	I16-M72 HydrophobicContact CG2-CE 4.25Å; K18-M72 HydrophobicContact CB-SD 4.29Å; K18-M72 HydrophobicContact CD-SD 3.96Å; K18-M72 HydrophobicContact CG-CE 4.31Å; K18-M72 HydrophobicContact CG-SD 3.81Å; C52-M72 HydrophobicContact CB-CB 4.42Å; C52-M72 VanDerWaalsContact SG-C 3.5Å; C52-M72 VanDerWaalsContact SG-CB 3.52Å; Y56-M72 HydrophobicContact CE2-CB 4.26Å; Y56-M72 HydrophobicContact CE2-CE 4.28Å; Y56-M72 HydrophobicContact CE2-CG 3.72Å; L68-M72 HydrophobicContact CD1-CG 3.96Å; L68-M72 WeakPolarHBondContact O-CB 3.35Å; L68-M72 WeakPolarHBondContact O-CG 3.4Å; L68-M72 PolarHBondContact O-N 3.3Å; T69-M72 PolarHBondContact O-N 2.87Å; M72-I77 HydrophobicContact CE-CG2 4.05Å
73	S	98.2	Very high	97.4	Very high	23 Å²	23	33.8 Å²	33.8	16%	0.161	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-0.4	172.3	62.2	0	0	0	0	114.1	L46 L47 C52 T69 A70 F71 G75	L46-S73 WeakPolarHBondContact CD1-O 3.45Å; L47-S73 WeakPolarHBondContact O-CA 3.4Å; L47-S73 VanDerWaalsContact O-CB 3.25Å; L47-S73 WeakPolarHBondContact O-CB 3.21Å; C52-S73 PolarHBondContact SG-N 3.12Å; T69-S73 PolarHBondContact O-N 2.82Å; T69-S73 PolarHBondContact O-OG 2.92Å; A70-S73 PolarHBondContact O-OG 3.26Å; F71-S73 PolarHBondContact O-N 2.69Å; S73-G75 VanDerWaalsContact C-N 3.28Å; S73-G75 PolarHBondContact O-N 2.79Å
74	S	98.4	Very high	97.4	Very high	83 Å²	83	29.2 Å²	29.2	58%	0.58	18%	0.175	S	C	*	.	S	Bend	trans	-78.4	-10.1	-175.9	82.4	0	0	0	0	114	A70 F71	A70-S74 WeakPolarHBondContact O-CB 3.22Å; A70-S74 PolarHBondContact O-N 3.49Å; F71-S74 WeakPolarHBondContact O-CB 2.9Å; F71-S74 PolarHBondContact O-N 3.4Å; F71-S74 VanDerWaalsContact O-N 3.08Å; F71-S74 PolarHBondContact O-OG 2.9Å
75	G	98.1	Very high	97.3	Very high	10 Å²	10	31 Å²	31	10%	0.103	19%	0.185	C	C	.	.	S	Bend	trans	-174.9	170.8	-174	0	0	0	0	0	113.5	L46 S73	L46-G75 WeakPolarHBondContact CD1-O 3.43Å; S73-G75 VanDerWaalsContact C-N 3.28Å; S73-G75 PolarHBondContact O-N 2.79Å
76	P	98.5	Very high	97.1	Very high	41 Å²	41	34.1 Å²	34.1	27%	0.266	20%	0.202	S	C	.	.			trans	-67	143.3	-176.2	26.4	-32.8	0	0	0	111.5	V22 R44 L45	V22-P76 HydrophobicContact CG1-CG 4.39Å; V22-P76 WeakPolarHBondContact CG2-O 3.43Å; R44-P76 HydrophobicContact CG-CB 4.48Å; L45-P76 CarbonylContact O-C 3.44Å; L45-P76 VanDerWaalsContact O-CA 3.3Å; L45-P76 WeakPolarHBondContact O-CA 3.43Å
77	I	98.8	Very high	97.1	Very high	0 Å²	0	30 Å²	30	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	157.4	172.5	61.3	172.1	0	0	0	110.2	I16 I17 P19 R44 L45 L47 M72 V79 F140	I16-I77 HydrophobicContact CG2-CB 3.95Å; I16-I77 HydrophobicContact CG2-CD1 3.91Å; I16-I77 HydrophobicContact CG2-CG1 4.42Å; I16-I77 HydrophobicContact CG2-CG2 4.34Å; I17-I77 WeakPolarHBondContact O-CA 3.36Å; I17-I77 WeakPolarHBondContact O-CB 3.45Å; P19-I77 HydrophobicContact CG-CG2 3.75Å; R44-I77 WeakPolarHBondContact CA-O 3.46Å; L45-I77 HydrophobicContact CD2-CD1 4.34Å; L45-I77 HydrophobicContact CD2-CG1 4.05Å; L45-I77 HydrophobicContact CG-CD1 4.44Å; L45-I77 HydrophobicContact CG-CG1 4.13Å; L45-I77 PolarHBondContact N-O 3.44Å; L45-I77 VanDerWaalsContact N-O 3.08Å; L45-I77 WeakPolarHBondContact O-CG1 3.41Å; L45-I77 PolarHBondContact O-N 3.39Å; L47-I77 HydrophobicContact CD1-CD1 3.66Å; L47-I77 HydrophobicContact CG-CD1 3.95Å; M72-I77 HydrophobicContact CE-CG2 4.05Å; I77-V79 HydrophobicContact CD1-CG2 3.55Å; I77-V79 HydrophobicContact CG1-CG2 3.97Å; I77-F140 HydrophobicContact CD1-CE1 4.15Å; I77-F140 HydrophobicContact CD1-CZ 4.41Å
78	V	98.8	Very high	97.1	Very high	2 Å²	2	27.5 Å²	27.5	1%	0.012	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	123.8	165.8	176.8	0	0	0	0	108.3	I16 I17 V22 K42 R44 M80	I16-V78 CarbonylContact C-O 3.58Å; I16-V78 WeakPolarHBondContact CA-O 2.98Å; I17-V78 HydrophobicContact CB-CB 4.12Å; I17-V78 HydrophobicContact CD1-CB 4.32Å; I17-V78 HydrophobicContact CD1-CG1 4.49Å; I17-V78 HydrophobicContact CG1-CB 4.36Å; I17-V78 PolarHBondContact N-O 3.02Å; I17-V78 PolarHBondContact O-N 2.98Å; I17-V78 VanDerWaalsContact O-N 3.09Å; V22-V78 HydrophobicContact CG2-CG2 3.92Å; K42-V78 HydrophobicContact CD-CG1 4.37Å; K42-V78 HydrophobicContact CG-CG1 4.11Å; R44-V78 HydrophobicContact CB-CG2 4.27Å; R44-V78 HydrophobicContact CG-CG2 4.09Å; V78-M80 HydrophobicContact CG1-CE 4.44Å; V78-M80 HydrophobicContact CG1-CG 4.26Å
79	V	98.6	Very high	97.1	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	134.6	-179.6	-175.9	0	0	0	0	109.1	L14 A15 I16 K42 R43 L45 I77 F140 F141	L14-V79 HydrophobicContact CD1-CG1 3.59Å; L14-V79 HydrophobicContact CD2-CG1 4.44Å; L14-V79 HydrophobicContact CG-CG1 4.24Å; A15-V79 WeakPolarHBondContact O-CA 2.96Å; I16-V79 HydrophobicContact CG1-CG1 4.35Å; I16-V79 HydrophobicContact CG1-CG2 4.22Å; I16-V79 HydrophobicContact CG2-CG2 4.14Å; K42-V79 CarbonylContact C-O 3.59Å; K42-V79 VanDerWaalsContact CA-O 3.3Å; K42-V79 WeakPolarHBondContact CA-O 3.46Å; R43-V79 HydrophobicContact CG-CB 4.28Å; R43-V79 PolarHBondContact N-O 2.95Å; R43-V79 PolarHBondContact O-N 2.93Å; L45-V79 HydrophobicContact CD2-CB 4.32Å; L45-V79 HydrophobicContact CD2-CG2 3.72Å; I77-V79 HydrophobicContact CD1-CG2 3.55Å; I77-V79 HydrophobicContact CG1-CG2 3.97Å; V79-F140 HydrophobicContact CB-CD1 4.2Å; V79-F140 HydrophobicContact CB-CG 4.41Å; V79-F140 HydrophobicContact CG1-CB 3.91Å; V79-F140 HydrophobicContact CG1-CD1 3.91Å; V79-F140 HydrophobicContact CG1-CD2 3.84Å; V79-F140 HydrophobicContact CG1-CE1 4.46Å; V79-F140 HydrophobicContact CG1-CE2 4.32Å; V79-F140 HydrophobicContact CG1-CG 3.65Å; V79-F140 HydrophobicContact CG2-CD1 3.75Å; V79-F140 HydrophobicContact CG2-CE1 3.7Å; V79-F140 HydrophobicContact CG2-CG 4.34Å; V79-F140 HydrophobicContact CG2-CZ 4.16Å; V79-F141 HydrophobicContact CG1-CE2 3.93Å; V79-F141 HydrophobicContact CG1-CZ 4.25Å
80	M	98.6	Very high	97.1	Very high	0 Å²	0	32 Å²	32	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	144.2	-179	-65.7	172.3	-74.7	0	0	111.4	A15 I17 E29 I32 I39 Q41 K42 V78 L82	A15-M80 HydrophobicContact CB-CB 4.45Å; A15-M80 HydrophobicContact CB-CE 4.47Å; A15-M80 PolarHBondContact N-O 3.41Å; A15-M80 PolarHBondContact O-N 3.08Å; I17-M80 HydrophobicContact CD1-CE 3.73Å; I17-M80 HydrophobicContact CG1-CE 3.87Å; E29-M80 HydrophobicContact CG-CE 4.28Å; E29-M80 HydrophobicContact CG-SD 3.8Å; I32-M80 HydrophobicContact CD1-CE 3.67Å; I32-M80 HydrophobicContact CD1-SD 4.41Å; I39-M80 HydrophobicContact CD1-SD 3.97Å; I39-M80 HydrophobicContact CG1-SD 4.4Å; I39-M80 HydrophobicContact CG2-CB 4.32Å; I39-M80 HydrophobicContact CG2-CG 4.15Å; I39-M80 HydrophobicContact CG2-SD 4.25Å; Q41-M80 CarbonylContact O-C 2.98Å; Q41-M80 VanDerWaalsContact O-CA 3.23Å; Q41-M80 WeakPolarHBondContact O-CA 3.33Å; K42-M80 HydrophobicContact CB-CG 4.01Å; K42-M80 HydrophobicContact CD-CG 4.39Å; K42-M80 HydrophobicContact CG-CG 3.97Å; V78-M80 HydrophobicContact CG1-CE 4.44Å; V78-M80 HydrophobicContact CG1-CG 4.26Å; M80-L82 HydrophobicContact CB-CD2 3.92Å
81	T	98	Very high	97.1	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	115.7	162.5	-59.7	0	0	0	0	108.1	R12 L40 Q41 I137 F141	R12-T81 HydrophobicContact CB-CG2 4.23Å; L40-T81 HydrophobicContact CB-CG2 4.43Å; L40-T81 HydrophobicContact CD1-CG2 4.33Å; L40-T81 PolarHBondContact N-O 3.29Å; Q41-T81 PolarHBondContact O-N 2.89Å; T81-I137 HydrophobicContact CG2-CD1 3.86Å; T81-I137 HydrophobicContact CG2-CG1 4.18Å; T81-I137 HydrophobicContact CG2-CG2 4.28Å; T81-F141 VanDerWaalsContact OG1-CD2 3.31Å; T81-F141 WeakPolarHBondContact OG1-CD2 3.42Å; T81-F141 WeakPolarHBondContact OG1-CE2 3.49Å
82	L	97.8	Very high	97.1	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	143.9	179.3	-52.7	-175.9	0	0	0	109.9	R12 T13 A15 I32 F37 L38 I39 M80 W91	R12-L82 CarbonylContact C-O 3.51Å; R12-L82 WeakPolarHBondContact CA-O 3.47Å; T13-L82 HydrophobicContact CG2-CB 3.89Å; T13-L82 HydrophobicContact CG2-CD1 4.43Å; T13-L82 HydrophobicContact CG2-CG 4.5Å; T13-L82 PolarHBondContact N-O 2.91Å; T13-L82 PolarHBondContact O-N 2.81Å; A15-L82 HydrophobicContact CB-CD1 3.59Å; A15-L82 HydrophobicContact CB-CG 3.85Å; I32-L82 HydrophobicContact CD1-CD1 4.4Å; I32-L82 HydrophobicContact CG2-CD1 3.99Å; I32-L82 HydrophobicContact CG2-CD2 3.75Å; F37-L82 HydrophobicContact CD1-CB 3.79Å; F37-L82 HydrophobicContact CD1-CD1 4.21Å; F37-L82 HydrophobicContact CE1-CB 4.43Å; F37-L82 HydrophobicContact CG-CB 4.48Å; F37-L82 HydrophobicContact CG-CD1 4.44Å; L38-L82 CarbonylContact O-C 3.1Å; L38-L82 VanDerWaalsContact O-CA 3.3Å; L38-L82 WeakPolarHBondContact O-CA 3.14Å; I39-L82 HydrophobicContact CG1-CD2 3.83Å; M80-L82 HydrophobicContact CB-CD2 3.92Å; L82-W91 HydrophobicContact CD1-CD2 3.93Å; L82-W91 HydrophobicContact CD1-CE3 3.99Å; L82-W91 HydrophobicContact CD1-CG 4.32Å; L82-W91 HydrophobicContact CD1-CZ3 4.42Å
83	A	95	Very high	97	Very high	4 Å²	4	34.5 Å²	34.5	3%	0.033	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	131.9	176.3	0	0	0	0	0	111.7	V10 E11 R12 L38 L40	V10-A83 HydrophobicContact CG1-CB 3.9Å; E11-A83 WeakPolarHBondContact O-CA 3.29Å; R12-A83 HydrophobicContact CG-CB 4.25Å; L38-A83 HydrophobicContact CB-CB 4.35Å; L38-A83 PolarHBondContact N-O 2.96Å; L38-A83 PolarHBondContact O-N 2.85Å; L40-A83 HydrophobicContact CD1-CB 3.63Å; L40-A83 HydrophobicContact CD2-CB 4.07Å; L40-A83 HydrophobicContact CG-CB 3.73Å
84	R	93.4	Very high	97	Very high	80 Å²	80	35.4 Å²	35.4	30%	0.302	20%	0.202	S	C	.	.			trans	-167.3	160.7	177.5	-165.2	176.2	174.8	-168.8	0.1	109.4	E11 A35 F37 N86 A87 L90	E11-R84 PolarHBondContact N-O 2.85Å; E11-R84 PolarHBondContact O-N 3.31Å; E11-R84 VanDerWaalsContact O-N 3.08Å; A35-R84 PolarHBondContact O-NH1 2.93Å; A35-R84 PolarHBondContact O-NH2 3.4Å; F37-R84 HydrophobicContact CD1-CB 3.62Å; F37-R84 HydrophobicContact CD1-CG 4.46Å; F37-R84 HydrophobicContact CE1-CB 3.78Å; F37-R84 HydrophobicContact CG-CB 4.3Å; R84-N86 PolarHBondContact O-N 2.8Å; R84-A87 HydrophobicContact CB-CB 4.09Å; R84-A87 WeakPolarHBondContact O-CB 3.32Å; R84-A87 PolarHBondContact O-N 3.09Å; R84-L90 HydrophobicContact CG-CD1 4.44Å
85	H	91.6	Very high	97	Very high	140 Å²	140	31.5 Å²	31.5	65%	0.648	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.8	131	161.6	-177.2	70.9	0	0	0	110	A87 L90	H85-A87 VanDerWaalsContact C-N 3.26Å; H85-A87 PolarHBondContact O-N 3.34Å; H85-L90 WeakPolarHBondContact O-CD1 3.39Å
86	N	92.5	Very high	96.9	Very high	86 Å²	86	31.5 Å²	31.5	46%	0.46	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.7	40	-172.5	-80.1	-9.4	0	0	0	113.8	E11 R84 V88 A89 L90	E11-N86 VanDerWaalsContact OE2-CA 3.28Å; E11-N86 WeakPolarHBondContact OE2-CA 3.44Å; R84-N86 PolarHBondContact O-N 2.8Å; N86-V88 VanDerWaalsContact C-N 3.31Å; N86-V88 PolarHBondContact O-N 3.45Å; N86-A89 PolarHBondContact O-N 3.13Å; N86-L90 HydrophobicContact CB-CD1 4.19Å; N86-L90 HydrophobicContact CB-CG 4.25Å; N86-L90 VanDerWaalsContact O-CB 3.3Å; N86-L90 WeakPolarHBondContact O-CB 3.31Å; N86-L90 VanDerWaalsContact O-CG 3.28Å; N86-L90 WeakPolarHBondContact O-CG 3.48Å; N86-L90 PolarHBondContact O-N 3.12Å
87	A	96.5	Very high	96.9	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-54.2	-42.3	-176.6	0	0	0	0	0	113.7	E11 T13 F37 R84 H85 W91	E11-A87 HydrophobicContact CB-CB 4.22Å; E11-A87 HydrophobicContact CG-CB 4.29Å; E11-A87 VanDerWaalsContact O-CB 3.26Å; E11-A87 WeakPolarHBondContact O-CB 3.33Å; E11-A87 PolarHBondContact OE2-N 2.98Å; T13-A87 HydrophobicContact CG2-CB 4.04Å; F37-A87 HydrophobicContact CE1-CB 3.99Å; R84-A87 HydrophobicContact CB-CB 4.09Å; R84-A87 WeakPolarHBondContact O-CB 3.32Å; R84-A87 PolarHBondContact O-N 3.09Å; H85-A87 VanDerWaalsContact C-N 3.26Å; H85-A87 PolarHBondContact O-N 3.34Å; A87-W91 WeakPolarHBondContact O-CB 3.49Å; A87-W91 PolarHBondContact O-N 2.83Å
88	V	97	Very high	96.6	Very high	11 Å²	11	35.4 Å²	35.4	7%	0.067	20%	0.195	C	C	.	.	H	α-helix	trans	-64.8	-53.7	-177.2	175.9	0	0	0	0	110	E11 N86 L90 W91 K92 S127 A133	E11-V88 HydrophobicContact CG-CG2 4.18Å; E11-V88 PolarHBondContact OE2-N 3.35Å; N86-V88 VanDerWaalsContact C-N 3.31Å; N86-V88 PolarHBondContact O-N 3.45Å; V88-L90 PolarHBondContact O-N 2.98Å; V88-W91 PolarHBondContact O-N 3.2Å; V88-K92 WeakPolarHBondContact O-CB 3.3Å; V88-K92 WeakPolarHBondContact O-CG 3.1Å; V88-K92 PolarHBondContact O-N 3.29Å; V88-S127 WeakPolarHBondContact CG1-O 3.2Å; V88-A133 HydrophobicContact CG2-CB 4.03Å
89	A	96.8	Very high	96.4	Very high	60 Å²	60	38.1 Å²	38.1	50%	0.496	21%	0.21	S	C	.	.	H	α-helix	trans	-63.7	-44.2	-178.3	0	0	0	0	0	112.1	N86 K92 S93	N86-A89 PolarHBondContact O-N 3.13Å; A89-K92 PolarHBondContact O-N 3.34Å; A89-S93 WeakPolarHBondContact O-CB 3.12Å; A89-S93 PolarHBondContact O-N 2.68Å
90	L	97.5	Very high	96.2	Very high	58 Å²	58	38.8 Å²	38.8	30%	0.304	21%	0.213	S	C	.	.	H	α-helix	trans	-67.9	-38.2	-180	-69.6	172.6	0	0	0	111.9	F37 R84 H85 N86 V88 S93 M94	F37-L90 HydrophobicContact CE2-CB 4.45Å; F37-L90 HydrophobicContact CZ-CB 3.79Å; R84-L90 HydrophobicContact CG-CD1 4.44Å; H85-L90 WeakPolarHBondContact O-CD1 3.39Å; N86-L90 HydrophobicContact CB-CD1 4.19Å; N86-L90 HydrophobicContact CB-CG 4.25Å; N86-L90 VanDerWaalsContact O-CB 3.3Å; N86-L90 WeakPolarHBondContact O-CB 3.31Å; N86-L90 VanDerWaalsContact O-CG 3.28Å; N86-L90 WeakPolarHBondContact O-CG 3.48Å; N86-L90 PolarHBondContact O-N 3.12Å; V88-L90 PolarHBondContact O-N 2.98Å; L90-S93 PolarHBondContact O-N 3.05Å; L90-M94 WeakPolarHBondContact O-CB 3.34Å; L90-M94 WeakPolarHBondContact O-CG 3.37Å; L90-M94 PolarHBondContact O-N 2.87Å
91	W	98.4	Very high	96.1	Very high	1 Å²	1	42.4 Å²	42.4	0%	0.004	24%	0.235	C	C	.	.	H	α-helix	trans	-66.9	-46.1	175.9	-179.9	-123.7	0	0	0	111	T13 A15 I32 F37 L82 A87 V88 S93 M94 I95 L111 L124 H125	T13-W91 HydrophobicContact CG2-CB 3.8Å; T13-W91 HydrophobicContact CG2-CG 4.07Å; A15-W91 HydrophobicContact CB-CD2 4.42Å; A15-W91 HydrophobicContact CB-CH2 4.46Å; A15-W91 HydrophobicContact CB-CZ2 3.59Å; I32-W91 HydrophobicContact CD1-CH2 3.85Å; I32-W91 HydrophobicContact CD1-CZ3 4.04Å; I32-W91 HydrophobicContact CG1-CH2 3.97Å; I32-W91 HydrophobicContact CG1-CZ3 3.66Å; F37-W91 HydrophobicContact CE1-CB 4.28Å; F37-W91 HydrophobicContact CZ-CB 4.04Å; L82-W91 HydrophobicContact CD1-CD2 3.93Å; L82-W91 HydrophobicContact CD1-CE3 3.99Å; L82-W91 HydrophobicContact CD1-CG 4.32Å; L82-W91 HydrophobicContact CD1-CZ3 4.42Å; A87-W91 WeakPolarHBondContact O-CB 3.49Å; A87-W91 PolarHBondContact O-N 2.83Å; V88-W91 PolarHBondContact O-N 3.2Å; W91-S93 VanDerWaalsContact C-N 3.3Å; W91-S93 PolarHBondContact O-N 3.19Å; W91-M94 HydrophobicContact CE3-CB 4.4Å; W91-M94 PolarHBondContact O-N 3.37Å; W91-M94 VanDerWaalsContact O-N 3.17Å; W91-I95 HydrophobicContact CD2-CG2 3.84Å; W91-I95 VanDerWaalsContact CE2-CG2 3.47Å; W91-I95 HydrophobicContact CE3-CG2 4.11Å; W91-I95 HydrophobicContact CH2-CG2 3.71Å; W91-I95 HydrophobicContact CZ2-CG2 3.41Å; W91-I95 VanDerWaalsContact CZ2-CG2 3.41Å; W91-I95 HydrophobicContact CZ3-CG2 4.04Å; W91-I95 WeakPolarHBondContact O-CG2 3.39Å; W91-I95 PolarHBondContact O-N 3.18Å; W91-L111 HydrophobicContact CH2-CD1 3.78Å; W91-L111 HydrophobicContact CZ3-CD1 3.71Å; W91-L124 HydrophobicContact CH2-CD1 4.09Å; W91-L124 HydrophobicContact CZ2-CD1 4.37Å; W91-H125 PolarHBondContact NE1-O 3.2Å
92	K	97.7	Very high	96	Very high	48 Å²	48	45.4 Å²	45.4	21%	0.209	25%	0.253	C	S	.	.	H	α-helix	trans	-57.4	-41.6	174.2	-76.7	-68.4	-58.7	-163.7	0	112.2	V88 A89 I95 G96 D98 S127 D128	V88-K92 WeakPolarHBondContact O-CB 3.3Å; V88-K92 WeakPolarHBondContact O-CG 3.1Å; V88-K92 PolarHBondContact O-N 3.29Å; A89-K92 PolarHBondContact O-N 3.34Å; K92-I95 HydrophobicContact CD-CD1 3.97Å; K92-I95 WeakPolarHBondContact O-CG1 3.44Å; K92-G96 PolarHBondContact O-N 2.93Å; K92-G96 VanDerWaalsContact O-N 3.12Å; K92-D98 IonicContact NZ-OD2 2.69Å; K92-S127 WeakPolarHBondContact CD-O 3.33Å; K92-S127 WeakPolarHBondContact CG-O 3.17Å; K92-D128 WeakPolarHBondContact CE-OD1 3.35Å; K92-D128 IonicContact NZ-OD1 2.7Å; K92-D128 PolarHBondContact NZ-OD1 3.35Å
93	S	97.1	Very high	95.9	Very high	78 Å²	78	45.4 Å²	45.4	55%	0.545	25%	0.253	S	S	.	.	H	α-helix	trans	-64.6	-43.9	175.9	-175.9	0	0	0	0	111.9	A89 L90 W91 G96	A89-S93 WeakPolarHBondContact O-CB 3.12Å; A89-S93 PolarHBondContact O-N 2.68Å; L90-S93 PolarHBondContact O-N 3.05Å; W91-S93 VanDerWaalsContact C-N 3.3Å; W91-S93 PolarHBondContact O-N 3.19Å; S93-G96 PolarHBondContact O-N 3.37Å
94	M	97.9	Very high	96	Very high	42 Å²	42	50.4 Å²	50.4	21%	0.207	27%	0.274	C	S	.	.	H	α-helix	trans	-67.2	-36.7	179.9	-78.8	-176.4	63.9	0	0	113.4	V31 A35 F37 L90 W91 L111	V31-M94 HydrophobicContact CG1-CE 4.02Å; A35-M94 HydrophobicContact CB-CE 3.42Å; A35-M94 VanDerWaalsContact CB-CE 3.42Å; A35-M94 HydrophobicContact CB-SD 3.42Å; A35-M94 WeakPolarHBondContact CB-SD 3.28Å; F37-M94 HydrophobicContact CD2-SD 4.32Å; F37-M94 HydrophobicContact CE2-SD 3.63Å; L90-M94 WeakPolarHBondContact O-CB 3.34Å; L90-M94 WeakPolarHBondContact O-CG 3.37Å; L90-M94 PolarHBondContact O-N 2.87Å; W91-M94 HydrophobicContact CE3-CB 4.4Å; W91-M94 PolarHBondContact O-N 3.37Å; W91-M94 VanDerWaalsContact O-N 3.17Å; M94-L111 WeakPolarHBondContact O-CG 3.27Å; M94-L111 PolarHBondContact O-N 2.87Å
95	I	98	Very high	96.1	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-71.3	-34.1	176.8	66.5	177.7	0	0	0	111.6	W91 K92 L111 R112 L124	W91-I95 HydrophobicContact CD2-CG2 3.84Å; W91-I95 VanDerWaalsContact CE2-CG2 3.47Å; W91-I95 HydrophobicContact CE3-CG2 4.11Å; W91-I95 HydrophobicContact CH2-CG2 3.71Å; W91-I95 HydrophobicContact CZ2-CG2 3.41Å; W91-I95 VanDerWaalsContact CZ2-CG2 3.41Å; W91-I95 HydrophobicContact CZ3-CG2 4.04Å; W91-I95 WeakPolarHBondContact O-CG2 3.39Å; W91-I95 PolarHBondContact O-N 3.18Å; K92-I95 HydrophobicContact CD-CD1 3.97Å; K92-I95 WeakPolarHBondContact O-CG1 3.44Å; I95-L111 HydrophobicContact CG2-CD1 4.31Å; I95-R112 WeakPolarHBondContact O-CB 3.38Å; I95-R112 WeakPolarHBondContact O-CD 3.5Å; I95-R112 WeakPolarHBondContact O-CG 3.3Å; I95-R112 PolarHBondContact O-N 3.32Å; I95-L124 HydrophobicContact CB-CB 4.45Å; I95-L124 HydrophobicContact CB-CD1 4.49Å; I95-L124 HydrophobicContact CG2-CB 4.03Å; I95-L124 HydrophobicContact CG2-CD1 3.88Å
96	G	97.4	Very high	96.4	Very high	10 Å²	10	51.2 Å²	51.2	10%	0.103	29%	0.288	C	S	.	.			trans	82.3	-176.9	-178.3	0	0	0	0	0	114.7	K92 S93 R112	K92-G96 PolarHBondContact O-N 2.93Å; K92-G96 VanDerWaalsContact O-N 3.12Å; S93-G96 PolarHBondContact O-N 3.37Å; G96-R112 WeakPolarHBondContact O-CD 3.14Å; G96-R112 PolarHBondContact O-NH1 2.83Å
97	P	96.6	Very high	96.5	Very high	43 Å²	43	49.9 Å²	49.9	28%	0.279	28%	0.281	S	S	.	.			trans	-58.6	148.1	-177.4	-23.8	33	0	0	0	114.1	N99 V102 A103 R112	P97-N99 PolarHBondContact O-N 3.18Å; P97-V102 HydrophobicContact CB-CB 4.24Å; P97-V102 HydrophobicContact CB-CG1 3.95Å; P97-V102 HydrophobicContact CG-CG1 3.96Å; P97-A103 HydrophobicContact CB-CB 4.33Å; P97-A103 HydrophobicContact CG-CB 4.37Å; P97-R112 WeakPolarHBondContact O-CD 3.32Å
98	D	93.5	Very high	96.5	Very high	80 Å²	80	53.4 Å²	53.4	43%	0.428	30%	0.304	S	S	.	.	S	Bend	trans	-65.9	-35.8	179.6	-78.2	-71.8	0	0	0	113.4	K92 R112 N122	K92-D98 IonicContact NZ-OD2 2.69Å; D98-R112 VanDerWaalsContact CA-NH1 3.32Å; D98-R112 IonicContact OD1-CZ 3.89Å; D98-R112 IonicContact OD1-NH1 3.04Å; D98-R112 PolarHBondContact OD1-NH1 3.08Å; D98-R112 IonicContact OD1-NH2 2.9Å; D98-R112 PolarHBondContact OD1-NH2 3.02Å; D98-R112 IonicContact OD2-NH1 2.92Å; D98-R112 PolarHBondContact OD2-NH1 3.33Å; D98-N122 PolarHBondContact O-ND2 2.93Å; D98-N122 VanDerWaalsContact O-ND2 3.1Å
99	N	95.1	Very high	96.4	Very high	59 Å²	59	59.1 Å²	59.1	32%	0.316	33%	0.33	S	S	.	.	S	Bend	trans	-77.4	125.8	175	178.6	-81.4	0	0	0	110.3	P97 T101 V102 A103 D119	P97-N99 PolarHBondContact O-N 3.18Å; N99-T101 VanDerWaalsContact C-N 3.33Å; N99-T101 PolarHBondContact O-N 3.44Å; N99-T101 WeakPolarHBondContact OD1-CA 3.36Å; N99-T101 VanDerWaalsContact OD1-CB 3.32Å; N99-T101 WeakPolarHBondContact OD1-CB 3.4Å; N99-T101 PolarHBondContact OD1-N 2.84Å; N99-V102 HydrophobicContact CB-CB 4.28Å; N99-V102 HydrophobicContact CB-CG2 4.12Å; N99-V102 PolarHBondContact O-N 3.18Å; N99-V102 WeakPolarHBondContact OD1-CG2 3.27Å; N99-V102 PolarHBondContact OD1-N 3.23Å; N99-A103 WeakPolarHBondContact O-CB 3.13Å; N99-A103 PolarHBondContact O-N 2.93Å; N99-D119 WeakPolarHBondContact CA-OD1 3.11Å; N99-D119 PolarHBondContact ND2-OD1 3.32Å; N99-D119 PolarHBondContact ND2-OD2 3.39Å
100	I	93.9	Very high	96.5	Very high	15 Å²	15	56.4 Å²	56.4	8%	0.077	31%	0.308	C	S	.	.	H	α-helix	trans	-68.4	-32.5	-171.8	-169.2	57.2	0	0	0	112.9	A103 K104 R112 D119	I100-A103 PolarHBondContact O-N 3.44Å; I100-K104 HydrophobicContact CG1-CD 4.28Å; I100-K104 WeakPolarHBondContact O-CB 3.22Å; I100-K104 VanDerWaalsContact O-CG 3.32Å; I100-K104 WeakPolarHBondContact O-CG 3.41Å; I100-K104 PolarHBondContact O-N 2.73Å; I100-R112 WeakPolarHBondContact CD1-O 3.48Å; I100-D119 PolarHBondContact N-OD1 2.87Å
101	T	95.6	Very high	96.5	Very high	76 Å²	76	54 Å²	54	47%	0.466	30%	0.295	S	S	.	.	H	α-helix	trans	-67.6	-50.2	178.2	-54.3	0	0	0	0	109.7	N99 A103 K104 E105	N99-T101 VanDerWaalsContact C-N 3.33Å; N99-T101 PolarHBondContact O-N 3.44Å; N99-T101 WeakPolarHBondContact OD1-CA 3.36Å; N99-T101 VanDerWaalsContact OD1-CB 3.32Å; N99-T101 WeakPolarHBondContact OD1-CB 3.4Å; N99-T101 PolarHBondContact OD1-N 2.84Å; T101-A103 VanDerWaalsContact C-N 3.29Å; T101-A103 PolarHBondContact O-N 3.41Å; T101-K104 PolarHBondContact O-N 3.08Å; T101-E105 WeakPolarHBondContact CG2-OE1 3.44Å; T101-E105 WeakPolarHBondContact O-CG 3.43Å; T101-E105 PolarHBondContact O-N 3.36Å
102	V	96.9	Very high	96.5	Very high	62 Å²	62	54 Å²	54	38%	0.376	30%	0.295	S	S	.	.	H	α-helix	trans	-59.5	-41.6	176.2	-180	0	0	0	0	110.9	P97 N99 K104 E105 T106	P97-V102 HydrophobicContact CB-CB 4.24Å; P97-V102 HydrophobicContact CB-CG1 3.95Å; P97-V102 HydrophobicContact CG-CG1 3.96Å; N99-V102 HydrophobicContact CB-CB 4.28Å; N99-V102 HydrophobicContact CB-CG2 4.12Å; N99-V102 PolarHBondContact O-N 3.18Å; N99-V102 WeakPolarHBondContact OD1-CG2 3.27Å; N99-V102 PolarHBondContact OD1-N 3.23Å; V102-K104 PolarHBondContact O-N 2.63Å; V102-E105 PolarHBondContact O-N 2.9Å; V102-T106 HydrophobicContact CG1-CG2 4.03Å; V102-T106 WeakPolarHBondContact O-CB 3.48Å; V102-T106 WeakPolarHBondContact O-CG2 3.33Å; V102-T106 PolarHBondContact O-N 3.25Å; V102-T106 PolarHBondContact O-OG1 2.81Å
103	A	96.2	Very high	96.5	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-59.2	-48.2	176.4	0	0	0	0	0	112	P97 N99 I100 T101 E105 D107 R112 A113	P97-A103 HydrophobicContact CB-CB 4.33Å; P97-A103 HydrophobicContact CG-CB 4.37Å; N99-A103 WeakPolarHBondContact O-CB 3.13Å; N99-A103 PolarHBondContact O-N 2.93Å; I100-A103 PolarHBondContact O-N 3.44Å; T101-A103 VanDerWaalsContact C-N 3.29Å; T101-A103 PolarHBondContact O-N 3.41Å; A103-E105 VanDerWaalsContact C-N 3.31Å; A103-E105 PolarHBondContact O-N 3.04Å; A103-D107 CarbonylContact O-C 3.58Å; A103-D107 PolarHBondContact O-N 3.45Å; A103-R112 HydrophobicContact CB-CB 4.22Å; A103-A113 HydrophobicContact CB-CB 4.43Å
104	K	95.5	Very high	96.5	Very high	109 Å²	109	53.6 Å²	53.6	47%	0.474	29%	0.286	S	S	.	.	H	α-helix	trans	-66.2	-30.7	179.1	-74.1	175.4	178.3	177.8	0	113.6	I100 T101 V102 P108 A113	I100-K104 HydrophobicContact CG1-CD 4.28Å; I100-K104 WeakPolarHBondContact O-CB 3.22Å; I100-K104 VanDerWaalsContact O-CG 3.32Å; I100-K104 WeakPolarHBondContact O-CG 3.41Å; I100-K104 PolarHBondContact O-N 2.73Å; T101-K104 PolarHBondContact O-N 3.08Å; V102-K104 PolarHBondContact O-N 2.63Å; K104-P108 WeakPolarHBondContact O-CG 3.32Å; K104-A113 HydrophobicContact CG-CB 3.96Å
105	E	96.8	Very high	96.5	Very high	143 Å²	143	53.3 Å²	53.3	67%	0.668	28%	0.283	S	S	*	.	H	α-helix	trans	-81.1	-41.3	179.8	-72.3	173.5	174.4	0	0	112.6	T101 V102 A103	T101-E105 WeakPolarHBondContact CG2-OE1 3.44Å; T101-E105 WeakPolarHBondContact O-CG 3.43Å; T101-E105 PolarHBondContact O-N 3.36Å; V102-E105 PolarHBondContact O-N 2.9Å; A103-E105 VanDerWaalsContact C-N 3.31Å; A103-E105 PolarHBondContact O-N 3.04Å
106	T	96.8	Very high	96.4	Very high	94 Å²	94	53.6 Å²	53.6	58%	0.577	29%	0.286	S	S	*	.	H	α-helix	trans	-94.6	-33.2	-170.5	59.9	0	0	0	0	113.8	V102	V102-T106 HydrophobicContact CG1-CG2 4.03Å; V102-T106 WeakPolarHBondContact O-CB 3.48Å; V102-T106 WeakPolarHBondContact O-CG2 3.33Å; V102-T106 PolarHBondContact O-N 3.25Å; V102-T106 PolarHBondContact O-OG1 2.81Å
107	D	95.7	Very high	96.3	Very high	58 Å²	58	58 Å²	58	31%	0.31	31%	0.31	S	S	.	.			trans	-146.3	77.3	178.2	-172	-1.9	0	0	0	110.4	A103 E109 C110	A103-D107 CarbonylContact O-C 3.58Å; A103-D107 PolarHBondContact O-N 3.45Å; D107-E109 PolarHBondContact O-N 3.06Å; D107-E109 PolarHBondContact OD1-N 3Å; D107-C110 HydrophobicContact CB-CB 4.04Å; D107-C110 WeakPolarHBondContact O-CB 3.45Å; D107-C110 PolarHBondContact O-N 2.68Å; D107-C110 PolarHBondContact O-SG 3.26Å; D107-C110 PolarHBondContact OD1-N 3.37Å; D107-C110 WeakPolarHBondContact OD2-CB 3.44Å
108	P	95.7	Very high	96.3	Very high	75 Å²	75	58 Å²	58	49%	0.487	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-21.3	-178.3	-20.5	28.5	0	0	0	114	K104 A113	K104-P108 WeakPolarHBondContact O-CG 3.32Å; P108-A113 WeakPolarHBondContact O-CB 3.38Å
109	E	96.2	Very high	96.3	Very high	130 Å²	130	58.1 Å²	58.1	61%	0.607	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.8	-9.5	-178.5	-67.6	-58.9	126.4	0	0	113.4	D107 K114	D107-E109 PolarHBondContact O-N 3.06Å; D107-E109 PolarHBondContact OD1-N 3Å; E109-K114 WeakPolarHBondContact O-CD 3.48Å; E109-K114 VanDerWaalsContact O-CE 3.27Å; E109-K114 WeakPolarHBondContact O-CE 3.4Å; E109-K114 PolarHBondContact O-NZ 3.43Å; E109-K114 WeakPolarHBondContact OE2-CE 3.23Å; E109-K114 IonicContact OE2-NZ 2.68Å; E109-K114 PolarHBondContact OE2-NZ 3.44Å
110	C	97.9	Very high	96.3	Very high	4 Å²	4	58 Å²	58	3%	0.027	31%	0.311	C	S	.	.	S	Bend	trans	-64.1	158.4	175.6	79.3	0	0	0	0	111.9	D107 R112 A113 K114	D107-C110 HydrophobicContact CB-CB 4.04Å; D107-C110 WeakPolarHBondContact O-CB 3.45Å; D107-C110 PolarHBondContact O-N 2.68Å; D107-C110 PolarHBondContact O-SG 3.26Å; D107-C110 PolarHBondContact OD1-N 3.37Å; D107-C110 WeakPolarHBondContact OD2-CB 3.44Å; C110-R112 VanDerWaalsContact C-N 3.33Å; C110-R112 PolarHBondContact O-N 3.15Å; C110-A113 PolarHBondContact O-N 3.1Å; C110-A113 VanDerWaalsContact SG-CB 3.57Å; C110-A113 PolarHBondContact SG-N 3.17Å; C110-K114 PolarHBondContact O-N 3.15Å; C110-K114 VanDerWaalsContact O-N 3.11Å
111	L	98.1	Very high	96.4	Very high	6 Å²	6	61.8 Å²	61.8	3%	0.031	33%	0.327	C	S	.	.	H	α-helix	trans	-67.5	-34.3	-173.9	-58.7	170.5	0	0	0	112.3	V31 W91 M94 I95 K114 Y115 L124	V31-L111 HydrophobicContact CG1-CD2 3.99Å; W91-L111 HydrophobicContact CH2-CD1 3.78Å; W91-L111 HydrophobicContact CZ3-CD1 3.71Å; M94-L111 WeakPolarHBondContact O-CG 3.27Å; M94-L111 PolarHBondContact O-N 2.87Å; I95-L111 HydrophobicContact CG2-CD1 4.31Å; L111-K114 PolarHBondContact O-N 3.28Å; L111-Y115 HydrophobicContact CB-CD2 4.21Å; L111-Y115 HydrophobicContact CB-CE2 4.46Å; L111-Y115 HydrophobicContact CD2-CD2 4.33Å; L111-Y115 HydrophobicContact CD2-CE2 3.74Å; L111-Y115 WeakPolarHBondContact O-CD2 3.42Å; L111-Y115 PolarHBondContact O-N 2.87Å; L111-L124 HydrophobicContact CB-CD1 3.29Å; L111-L124 HydrophobicContact CD1-CD1 3.47Å; L111-L124 VanDerWaalsContact CD1-CD1 3.47Å; L111-L124 HydrophobicContact CG-CD1 3.98Å
112	R	98.2	Very high	96.5	Very high	3 Å²	3	58.2 Å²	58.2	1%	0.011	31%	0.305	C	S	.	.	H	α-helix	trans	-65.7	-41	175.1	-74.1	174.7	176	173.4	-17.5	111.7	I95 G96 P97 D98 I100 A103 C110 K114 G116 N122 L124	I95-R112 WeakPolarHBondContact O-CB 3.38Å; I95-R112 WeakPolarHBondContact O-CD 3.5Å; I95-R112 WeakPolarHBondContact O-CG 3.3Å; I95-R112 PolarHBondContact O-N 3.32Å; G96-R112 WeakPolarHBondContact O-CD 3.14Å; G96-R112 PolarHBondContact O-NH1 2.83Å; P97-R112 WeakPolarHBondContact O-CD 3.32Å; D98-R112 VanDerWaalsContact CA-NH1 3.32Å; D98-R112 IonicContact OD1-CZ 3.89Å; D98-R112 IonicContact OD1-NH1 3.04Å; D98-R112 PolarHBondContact OD1-NH1 3.08Å; D98-R112 IonicContact OD1-NH2 2.9Å; D98-R112 PolarHBondContact OD1-NH2 3.02Å; D98-R112 IonicContact OD2-NH1 2.92Å; D98-R112 PolarHBondContact OD2-NH1 3.33Å; I100-R112 WeakPolarHBondContact CD1-O 3.48Å; A103-R112 HydrophobicContact CB-CB 4.22Å; C110-R112 VanDerWaalsContact C-N 3.33Å; C110-R112 PolarHBondContact O-N 3.15Å; R112-K114 VanDerWaalsContact C-N 3.31Å; R112-K114 PolarHBondContact O-N 2.74Å; R112-G116 VanDerWaalsContact O-CA 3.22Å; R112-G116 WeakPolarHBondContact O-CA 3.41Å; R112-G116 PolarHBondContact O-N 3.46Å; R112-N122 HydrophobicContact CG-CB 4.24Å; R112-N122 WeakPolarHBondContact CG-O 3.35Å; R112-L124 PolarHBondContact NE-O 3.38Å; R112-L124 PolarHBondContact NH2-O 3.02Å
113	A	97.6	Very high	96.5	Very high	13 Å²	13	55.3 Å²	55.3	11%	0.107	29%	0.287	C	S	.	.	H	α-helix	trans	-62.4	-38.6	175.9	0	0	0	0	0	112.3	A103 K104 P108 C110	A103-A113 HydrophobicContact CB-CB 4.43Å; K104-A113 HydrophobicContact CG-CB 3.96Å; P108-A113 WeakPolarHBondContact O-CB 3.38Å; C110-A113 PolarHBondContact O-N 3.1Å; C110-A113 VanDerWaalsContact SG-CB 3.57Å; C110-A113 PolarHBondContact SG-N 3.17Å
114	K	97.5	Very high	96.6	Very high	104 Å²	104	55.3 Å²	55.3	45%	0.452	29%	0.287	S	S	.	.	H	α-helix	trans	-73.8	-43.3	-179.4	-75.1	174.6	170.5	155.6	0	114.4	E109 C110 L111 R112	E109-K114 WeakPolarHBondContact O-CD 3.48Å; E109-K114 VanDerWaalsContact O-CE 3.27Å; E109-K114 WeakPolarHBondContact O-CE 3.4Å; E109-K114 PolarHBondContact O-NZ 3.43Å; E109-K114 WeakPolarHBondContact OE2-CE 3.23Å; E109-K114 IonicContact OE2-NZ 2.68Å; E109-K114 PolarHBondContact OE2-NZ 3.44Å; C110-K114 PolarHBondContact O-N 3.15Å; C110-K114 VanDerWaalsContact O-N 3.11Å; L111-K114 PolarHBondContact O-N 3.28Å; R112-K114 VanDerWaalsContact C-N 3.31Å; R112-K114 PolarHBondContact O-N 2.74Å
115	Y	97.1	Very high	96.7	Very high	36 Å²	36	51 Å²	51	14%	0.141	27%	0.269	C	S	.	.	H	α-helix	trans	-111.5	-19.9	-169.9	-56.7	-71.2	0	0	0	114	V21 E27 I28 L111	V21-Y115 WeakPolarHBondContact CG1-O 3.27Å; E27-Y115 WeakPolarHBondContact OE1-CE1 3.44Å; E27-Y115 PolarHBondContact OE1-OH 3.33Å; I28-Y115 HydrophobicContact CD1-CD2 4.36Å; I28-Y115 HydrophobicContact CD1-CE2 4.44Å; I28-Y115 HydrophobicContact CG1-CD2 4.31Å; I28-Y115 HydrophobicContact CG1-CE2 3.9Å; L111-Y115 HydrophobicContact CB-CD2 4.21Å; L111-Y115 HydrophobicContact CB-CE2 4.46Å; L111-Y115 HydrophobicContact CD2-CD2 4.33Å; L111-Y115 HydrophobicContact CD2-CE2 3.74Å; L111-Y115 WeakPolarHBondContact O-CD2 3.42Å; L111-Y115 PolarHBondContact O-N 2.87Å
116	G	96.4	Very high	96.8	Very high	6 Å²	6	44.3 Å²	44.3	6%	0.062	24%	0.238	C	C	.	.			trans	-78.1	144.3	-176.9	0	0	0	0	0	113.6	R112 K121	R112-G116 VanDerWaalsContact O-CA 3.22Å; R112-G116 WeakPolarHBondContact O-CA 3.41Å; R112-G116 PolarHBondContact O-N 3.46Å; G116-K121 CarbonylContact C-O 3.55Å; G116-K121 WeakPolarHBondContact CA-O 3.35Å
117	T	95.4	Very high	96.8	Very high	101 Å²	101	39.8 Å²	39.8	62%	0.62	21%	0.211	S	C	*	.	S	Bend	trans	-116.5	-25.2	179.1	55.7	0	0	0	0	113.2	K121	T117-K121 PolarHBondContact N-O 3.05Å; T117-K121 WeakPolarHBondContact OG1-CB 3.49Å; T117-K121 PolarHBondContact OG1-O 3.32Å
118	S	95.9	Very high	96.7	Very high	43 Å²	43	41.4 Å²	41.4	30%	0.301	22%	0.219	S	C	.	.	S	Bend	trans	-154.5	172.6	173.4	72.3	0	0	0	0	110.5	L120 K121 N122	S118-L120 PolarHBondContact O-N 3.22Å; S118-K121 PolarHBondContact N-O 2.99Å; S118-K121 CarbonylContact O-C 3.54Å; S118-K121 PolarHBondContact O-N 2.8Å; S118-K121 VanDerWaalsContact O-O 3.11Å; S118-K121 PolarHBondContact OG-N 2.84Å; S118-K121 VanDerWaalsContact OG-N 3.15Å; S118-N122 WeakPolarHBondContact O-CA 3.42Å; S118-N122 WeakPolarHBondContact O-CB 3.33Å; S118-N122 PolarHBondContact O-N 3.3Å; S118-N122 VanDerWaalsContact O-N 3.08Å
119	D	93.6	Very high	96.7	Very high	83 Å²	83	41 Å²	41	44%	0.444	22%	0.215	S	C	.	.	S	Bend	trans	-59.7	-35.1	178.6	-67.7	0.8	0	0	0	112.5	N99 I100 N122	N99-D119 WeakPolarHBondContact CA-OD1 3.11Å; N99-D119 PolarHBondContact ND2-OD1 3.32Å; N99-D119 PolarHBondContact ND2-OD2 3.39Å; I100-D119 PolarHBondContact N-OD1 2.87Å; D119-N122 PolarHBondContact O-ND2 3.4Å
120	L	94.9	Very high	96.5	Very high	56 Å²	56	38.3 Å²	38.3	29%	0.293	20%	0.202	S	C	.	.	S	Bend	trans	-74.4	-46.5	174.1	-176	63	0	0	0	111.4	L68 F71 S118 N122	L68-L120 HydrophobicContact CB-CD1 4.31Å; L68-L120 HydrophobicContact CD1-CD1 4.22Å; F71-L120 HydrophobicContact CB-CD1 4.12Å; F71-L120 HydrophobicContact CB-CD2 4.01Å; F71-L120 HydrophobicContact CB-CG 4.09Å; F71-L120 HydrophobicContact CD1-CD1 3.95Å; F71-L120 HydrophobicContact CD1-CG 3.85Å; F71-L120 WeakPolarHBondContact CE1-O 3.3Å; F71-L120 HydrophobicContact CG-CD1 4.33Å; F71-L120 HydrophobicContact CG-CD2 4.32Å; F71-L120 HydrophobicContact CG-CG 4.02Å; S118-L120 PolarHBondContact O-N 3.22Å; L120-N122 PolarHBondContact O-N 2.87Å
121	K	97	Very high	96.1	Very high	95 Å²	95	42 Å²	42	41%	0.413	23%	0.227	S	C	.	.			trans	-96.9	59.6	180	-61.1	-174.6	-179.9	-179.2	0	110.5	D20 F71 G116 T117 S118 G123	D20-K121 HydrophobicContact CB-CB 4.21Å; D20-K121 HydrophobicContact CB-CG 4.43Å; D20-K121 WeakPolarHBondContact OD2-CA 3.2Å; D20-K121 WeakPolarHBondContact OD2-CB 3.34Å; D20-K121 VanDerWaalsContact OD2-O 3.12Å; F71-K121 HydrophobicContact CD2-CG 4.37Å; F71-K121 HydrophobicContact CE1-CG 4.39Å; F71-K121 HydrophobicContact CE2-CD 4.4Å; F71-K121 HydrophobicContact CE2-CG 3.8Å; F71-K121 HydrophobicContact CZ-CB 4.32Å; F71-K121 HydrophobicContact CZ-CG 3.81Å; G116-K121 CarbonylContact C-O 3.55Å; G116-K121 WeakPolarHBondContact CA-O 3.35Å; T117-K121 PolarHBondContact N-O 3.05Å; T117-K121 WeakPolarHBondContact OG1-CB 3.49Å; T117-K121 PolarHBondContact OG1-O 3.32Å; S118-K121 PolarHBondContact N-O 2.99Å; S118-K121 CarbonylContact O-C 3.54Å; S118-K121 PolarHBondContact O-N 2.8Å; S118-K121 VanDerWaalsContact O-O 3.11Å; S118-K121 PolarHBondContact OG-N 2.84Å; S118-K121 VanDerWaalsContact OG-N 3.15Å; K121-G123 VanDerWaalsContact C-N 3.33Å
122	N	96.9	Very high	96	Very high	2 Å²	2	42 Å²	42	1%	0.011	23%	0.228	C	C	.	.			trans	-95.3	13.5	179.4	68.4	4.5	0	0	0	112.3	K18 D98 R112 S118 D119 L120 L124	K18-N122 WeakPolarHBondContact CE-OD1 3.3Å; K18-N122 PolarHBondContact NZ-OD1 2.85Å; D98-N122 PolarHBondContact O-ND2 2.93Å; D98-N122 VanDerWaalsContact O-ND2 3.1Å; R112-N122 HydrophobicContact CG-CB 4.24Å; R112-N122 WeakPolarHBondContact CG-O 3.35Å; S118-N122 WeakPolarHBondContact O-CA 3.42Å; S118-N122 WeakPolarHBondContact O-CB 3.33Å; S118-N122 PolarHBondContact O-N 3.3Å; S118-N122 VanDerWaalsContact O-N 3.08Å; D119-N122 PolarHBondContact O-ND2 3.4Å; L120-N122 PolarHBondContact O-N 2.87Å; N122-L124 PolarHBondContact O-N 3.26Å; N122-L124 PolarHBondContact OD1-O 2.88Å
123	G	97.4	Very high	95.9	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.228	C	C	.	.	S	Bend	trans	73.8	-37	172.1	0	0	0	0	0	117.5	K18 D20 V21 K121	K18-G123 VanDerWaalsContact CB-O 3.3Å; K18-G123 WeakPolarHBondContact CB-O 3.38Å; K18-G123 WeakPolarHBondContact CG-O 3.45Å; K18-G123 PolarHBondContact N-O 3.25Å; D20-G123 WeakPolarHBondContact OD2-CA 3.2Å; D20-G123 PolarHBondContact OD2-N 3.5Å; V21-G123 WeakPolarHBondContact CG2-O 3.45Å; K121-G123 VanDerWaalsContact C-N 3.33Å
124	L	98.3	Very high	95.6	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	144.7	-168.9	-61.7	173.9	0	0	0	114.1	I16 I17 I28 W91 I95 L111 R112 N122	I16-L124 WeakPolarHBondContact O-CA 3.18Å; I17-L124 HydrophobicContact CB-CD2 4.3Å; I17-L124 HydrophobicContact CG1-CD2 3.94Å; I17-L124 HydrophobicContact CG2-CD2 4.4Å; I28-L124 HydrophobicContact CD1-CD2 4.35Å; I28-L124 HydrophobicContact CG2-CD2 4.22Å; W91-L124 HydrophobicContact CH2-CD1 4.09Å; W91-L124 HydrophobicContact CZ2-CD1 4.37Å; I95-L124 HydrophobicContact CB-CB 4.45Å; I95-L124 HydrophobicContact CB-CD1 4.49Å; I95-L124 HydrophobicContact CG2-CB 4.03Å; I95-L124 HydrophobicContact CG2-CD1 3.88Å; L111-L124 HydrophobicContact CB-CD1 3.29Å; L111-L124 HydrophobicContact CD1-CD1 3.47Å; L111-L124 VanDerWaalsContact CD1-CD1 3.47Å; L111-L124 HydrophobicContact CG-CD1 3.98Å; R112-L124 PolarHBondContact NE-O 3.38Å; R112-L124 PolarHBondContact NH2-O 3.02Å; N122-L124 PolarHBondContact O-N 3.26Å; N122-L124 PolarHBondContact OD1-O 2.88Å
125	H	98.2	Very high	95.5	Very high	19 Å²	19	43.4 Å²	43.4	9%	0.088	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	142.7	167.9	172.4	99.7	0	0	0	110.4	I16 F55 Y56 W91 E136	I16-H125 HydrophobicContact CB-CB 4.02Å; I16-H125 HydrophobicContact CD1-CB 4.32Å; I16-H125 HydrophobicContact CG1-CB 4.32Å; I16-H125 PolarHBondContact N-O 3.09Å; I16-H125 PolarHBondContact O-N 2.9Å; F55-H125 AromaticContact CZ-NE2 3.78Å; Y56-H125 AromaticContact CE1-ND1 3.91Å; W91-H125 PolarHBondContact NE1-O 3.2Å; H125-E136 IonicContact CD2-OE2 3.49Å; H125-E136 IonicContact CE1-OE2 2.68Å; H125-E136 IonicContact NE2-OE1 3.58Å; H125-E136 IonicContact NE2-OE2 3.78Å; H125-E136 PolarHBondContact NE2-OE2 3.35Å
126	G	97.6	Very high	95.5	Very high	2 Å²	2	41.9 Å²	41.9	2%	0.021	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	143.7	170.6	0	0	0	0	0	109.3
127	S	97.5	Very high	95.5	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.223	C	C	.	.			trans	-62	140.3	-179.5	-49.3	0	0	0	0	111.7	L14 V88 K92 A133 E136	L14-S127 WeakPolarHBondContact CB-OG 3.42Å; L14-S127 PolarHBondContact N-OG 3.12Å; V88-S127 WeakPolarHBondContact CG1-O 3.2Å; K92-S127 WeakPolarHBondContact CD-O 3.33Å; K92-S127 WeakPolarHBondContact CG-O 3.17Å; S127-A133 WeakPolarHBondContact OG-CA 3.48Å; S127-E136 WeakPolarHBondContact CB-OE2 3.38Å; S127-E136 PolarHBondContact OG-OE2 3.47Å
128	D	93.9	Very high	95.5	Very high	92 Å²	92	43.6 Å²	43.6	49%	0.492	22%	0.218	S	C	.	.	S	Bend	trans	-79.4	-28.8	-176.4	-68.9	-37.3	0	0	0	113.6	K92	K92-D128 WeakPolarHBondContact CE-OD1 3.35Å; K92-D128 IonicContact NZ-OD1 2.7Å; K92-D128 PolarHBondContact NZ-OD1 3.35Å
129	T	94.8	Very high	95.5	Very high	65 Å²	65	44.2 Å²	44.2	40%	0.399	22%	0.216	S	C	.	.	S	Bend	trans	-141.5	166.1	-177.4	67.4	0	0	0	0	110.4	S131 A132 A133	T129-S131 VanDerWaalsContact C-N 3.32Å; T129-S131 PolarHBondContact O-N 2.94Å; T129-S131 PolarHBondContact OG1-OG 3.42Å; T129-A132 PolarHBondContact O-N 3.08Å; T129-A132 WeakPolarHBondContact OG1-CB 3.25Å; T129-A132 PolarHBondContact OG1-N 3.22Å; T129-A133 PolarHBondContact O-N 3.07Å
130	F	91.4	Very high	95.6	Very high	74 Å²	74	40.3 Å²	40.3	33%	0.325	20%	0.195	S	C	.	.	H	α-helix	trans	-56.9	-44.2	171.8	178.6	-103.4	0	0	0	112.4	Y9 E11 A132 A133 V134	Y9-F130 WeakPolarHBondContact OH-CE2 3.36Å; E11-F130 HydrophobicContact CG-CD2 4.12Å; E11-F130 HydrophobicContact CG-CE2 4.49Å; F130-A132 VanDerWaalsContact C-N 3.34Å; F130-A132 PolarHBondContact O-N 2.95Å; F130-A133 WeakPolarHBondContact O-CB 3.44Å; F130-A133 PolarHBondContact O-N 3.48Å; F130-V134 HydrophobicContact CD1-CG2 4.22Å; F130-V134 HydrophobicContact CE1-CG2 3.71Å; F130-V134 HydrophobicContact CE2-CG2 4.03Å; F130-V134 HydrophobicContact CZ-CG2 3.6Å; F130-V134 WeakPolarHBondContact O-CG2 3.37Å; F130-V134 PolarHBondContact O-N 2.88Å
131	S	90.8	Very high	95.6	Very high	81 Å²	81	38.7 Å²	38.7	57%	0.566	19%	0.185	S	C	*	.	H	α-helix	trans	-65.2	-37.1	178.6	58.2	0	0	0	0	112.5	T129 R135	T129-S131 VanDerWaalsContact C-N 3.32Å; T129-S131 PolarHBondContact O-N 2.94Å; T129-S131 PolarHBondContact OG1-OG 3.42Å; S131-R135 PolarHBondContact O-N 3.48Å
132	A	94.9	Very high	95.3	Very high	6 Å²	6	38.7 Å²	38.7	5%	0.05	20%	0.196	C	C	.	.	H	α-helix	trans	-63.6	-46.6	171.4	0	0	0	0	0	110.8	T129 F130 V134 R135 E136	T129-A132 PolarHBondContact O-N 3.08Å; T129-A132 WeakPolarHBondContact OG1-CB 3.25Å; T129-A132 PolarHBondContact OG1-N 3.22Å; F130-A132 VanDerWaalsContact C-N 3.34Å; F130-A132 PolarHBondContact O-N 2.95Å; A132-V134 VanDerWaalsContact C-N 3.34Å; A132-V134 PolarHBondContact O-N 3.16Å; A132-R135 PolarHBondContact O-N 3.36Å; A132-E136 VanDerWaalsContact O-CB 3.22Å; A132-E136 WeakPolarHBondContact O-CB 3.39Å; A132-E136 WeakPolarHBondContact O-CG 3.49Å; A132-E136 PolarHBondContact O-N 3.32Å
133	A	95.8	Very high	94.7	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.008	24%	0.235	C	C	.	.	H	α-helix	trans	-56.7	-45.5	177.1	0	0	0	0	0	112.4	V88 S127 T129 F130 E136 I137	V88-A133 HydrophobicContact CG2-CB 4.03Å; S127-A133 WeakPolarHBondContact OG-CA 3.48Å; T129-A133 PolarHBondContact O-N 3.07Å; F130-A133 WeakPolarHBondContact O-CB 3.44Å; F130-A133 PolarHBondContact O-N 3.48Å; A133-E136 PolarHBondContact O-N 2.98Å; A133-I137 VanDerWaalsContact O-CB 3.27Å; A133-I137 WeakPolarHBondContact O-CB 3.42Å; A133-I137 WeakPolarHBondContact O-CD1 3.33Å; A133-I137 WeakPolarHBondContact O-CG1 3.45Å; A133-I137 PolarHBondContact O-N 3.32Å
134	V	92.7	Very high	94	Very high	24 Å²	24	46.9 Å²	46.9	15%	0.145	24%	0.24	C	C	.	.	H	α-helix	trans	-58.8	-50.4	177.1	171.7	0	0	0	0	111.4	F130 A132 R138 I146	F130-V134 HydrophobicContact CD1-CG2 4.22Å; F130-V134 HydrophobicContact CE1-CG2 3.71Å; F130-V134 HydrophobicContact CE2-CG2 4.03Å; F130-V134 HydrophobicContact CZ-CG2 3.6Å; F130-V134 WeakPolarHBondContact O-CG2 3.37Å; F130-V134 PolarHBondContact O-N 2.88Å; A132-V134 VanDerWaalsContact C-N 3.34Å; A132-V134 PolarHBondContact O-N 3.16Å; V134-R138 WeakPolarHBondContact O-CB 3.48Å; V134-R138 WeakPolarHBondContact O-CG 3.25Å; V134-R138 PolarHBondContact O-N 3.44Å; V134-I146 HydrophobicContact CB-CD1 4.38Å; V134-I146 HydrophobicContact CG1-CD1 4.14Å; V134-I146 HydrophobicContact CG2-CG2 4Å
135	R	94.1	Very high	93	Very high	126 Å²	126	51.2 Å²	51.2	48%	0.475	27%	0.266	S	S	.	.	H	α-helix	trans	-61.5	-48.2	179.6	-179.5	-172.9	63.4	-112.3	-5.6	111.2	S131 A132 R138 F139	S131-R135 PolarHBondContact O-N 3.48Å; A132-R135 PolarHBondContact O-N 3.36Å; R135-R138 PolarHBondContact O-N 2.9Å; R135-F139 PolarHBondContact O-N 3.45Å
136	E	97.4	Very high	91.8	Very high	4 Å²	4	51.1 Å²	51.1	2%	0.019	27%	0.266	C	S	.	.	H	α-helix	trans	-67	-41.2	-177	-70.5	176.3	-162.2	0	0	111.8	L14 F55 H125 S127 A132 A133 F139 F140	L14-E136 HydrophobicContact CB-CB 4.11Å; L14-E136 HydrophobicContact CD2-CB 3.7Å; L14-E136 HydrophobicContact CG-CB 4.43Å; F55-E136 HydrophobicContact CE2-CB 3.84Å; F55-E136 HydrophobicContact CE2-CG 3.6Å; F55-E136 HydrophobicContact CZ-CB 4.3Å; F55-E136 HydrophobicContact CZ-CG 3.88Å; H125-E136 IonicContact CD2-OE2 3.49Å; H125-E136 IonicContact CE1-OE2 2.68Å; H125-E136 IonicContact NE2-OE1 3.58Å; H125-E136 IonicContact NE2-OE2 3.78Å; H125-E136 PolarHBondContact NE2-OE2 3.35Å; S127-E136 WeakPolarHBondContact CB-OE2 3.38Å; S127-E136 PolarHBondContact OG-OE2 3.47Å; A132-E136 VanDerWaalsContact O-CB 3.22Å; A132-E136 WeakPolarHBondContact O-CB 3.39Å; A132-E136 WeakPolarHBondContact O-CG 3.49Å; A132-E136 PolarHBondContact O-N 3.32Å; A133-E136 PolarHBondContact O-N 2.98Å; E136-F139 WeakPolarHBondContact O-CB 3.39Å; E136-F139 PolarHBondContact O-N 3.37Å; E136-F140 WeakPolarHBondContact O-CD2 3.46Å; E136-F140 PolarHBondContact O-N 3.5Å
137	I	96.9	Very high	90.5	Very high	1 Å²	1	54.1 Å²	54.1	1%	0.005	28%	0.279	C	S	.	.	H	α-helix	trans	-61.8	-44.6	173	-68.8	163	0	0	0	110.3	R12 L14 T81 A133 F139 F140 F141 T144 I146	R12-I137 HydrophobicContact CB-CD1 3.94Å; L14-I137 HydrophobicContact CB-CG1 4.19Å; L14-I137 HydrophobicContact CD1-CG1 4.09Å; T81-I137 HydrophobicContact CG2-CD1 3.86Å; T81-I137 HydrophobicContact CG2-CG1 4.18Å; T81-I137 HydrophobicContact CG2-CG2 4.28Å; A133-I137 VanDerWaalsContact O-CB 3.27Å; A133-I137 WeakPolarHBondContact O-CB 3.42Å; A133-I137 WeakPolarHBondContact O-CD1 3.33Å; A133-I137 WeakPolarHBondContact O-CG1 3.45Å; A133-I137 PolarHBondContact O-N 3.32Å; I137-F139 VanDerWaalsContact C-N 3.29Å; I137-F139 PolarHBondContact O-N 3.08Å; I137-F140 PolarHBondContact O-N 2.97Å; I137-F141 HydrophobicContact CG2-CD2 4.39Å; I137-F141 WeakPolarHBondContact O-CA 3.37Å; I137-F141 PolarHBondContact O-N 2.95Å; I137-T144 HydrophobicContact CG2-CG2 4.09Å; I137-I146 HydrophobicContact CB-CD1 3.8Å; I137-I146 HydrophobicContact CD1-CD1 4.36Å; I137-I146 HydrophobicContact CG2-CD1 3.65Å; I137-I146 HydrophobicContact CG2-CG1 4.31Å
138	R	94.9	Very high	89.1	Confident	141 Å²	141	57.8 Å²	57.8	53%	0.532	30%	0.304	S	S	.	.	H	α-helix	trans	-63.1	-34.9	178.1	-75.8	178.1	178.8	174.2	1.5	112.8	V134 R135 F140 F141 P142 I146	V134-R138 WeakPolarHBondContact O-CB 3.48Å; V134-R138 WeakPolarHBondContact O-CG 3.25Å; V134-R138 PolarHBondContact O-N 3.44Å; R135-R138 PolarHBondContact O-N 2.9Å; R138-F140 VanDerWaalsContact C-N 3.34Å; R138-F140 PolarHBondContact O-N 3.43Å; R138-F141 CarbonylContact O-C 3.45Å; R138-P142 VanDerWaalsContact O-CA 3.23Å; R138-P142 WeakPolarHBondContact O-CA 3.2Å; R138-I146 HydrophobicContact CG-CD1 4.14Å
139	F	95.6	Very high	87.8	Confident	57 Å²	57	59.3 Å²	59.3	25%	0.25	31%	0.306	C	S	.	.	H	α-helix	trans	-59.2	-43.8	174.7	-177	-89.1	0	0	0	111.8	Q51 E54 F55 R135 E136 I137	Q51-F139 HydrophobicContact CB-CZ 4.4Å; Q51-F139 WeakPolarHBondContact O-CZ 3.29Å; E54-F139 HydrophobicContact CB-CE2 4.23Å; E54-F139 HydrophobicContact CG-CE2 3.97Å; F55-F139 HydrophobicContact CB-CD1 4.42Å; F55-F139 HydrophobicContact CB-CE1 3.95Å; F55-F139 HydrophobicContact CB-CE2 4.34Å; F55-F139 HydrophobicContact CB-CZ 3.91Å; F55-F139 HydrophobicContact CD2-CB 4.43Å; F55-F139 AromaticContact CD2-CD1 3.7Å; F55-F139 HydrophobicContact CD2-CD1 3.7Å; F55-F139 HydrophobicContact CD2-CE1 4.06Å; F55-F139 AromaticContact CD2-CG 3.98Å; F55-F139 HydrophobicContact CD2-CG 3.98Å; F55-F139 HydrophobicContact CE2-CD1 4.49Å; F55-F139 HydrophobicContact CG-CD1 4.41Å; F55-F139 HydrophobicContact CG-CE1 4.33Å; R135-F139 PolarHBondContact O-N 3.45Å; E136-F139 WeakPolarHBondContact O-CB 3.39Å; E136-F139 PolarHBondContact O-N 3.37Å; I137-F139 VanDerWaalsContact C-N 3.29Å; I137-F139 PolarHBondContact O-N 3.08Å
140	F	96.8	Very high	86.6	Confident	1 Å²	1	59.8 Å²	59.8	0%	0.004	31%	0.31	C	S	.	.	H	α-helix	trans	-90.1	-25.3	-179.3	-68.4	-83.3	0	0	0	114.4	L14 I16 R43 L45 L47 F55 I77 V79 E136 I137 R138	L14-F140 HydrophobicContact CD1-CD2 4.06Å; L14-F140 HydrophobicContact CD2-CD2 3.64Å; L14-F140 HydrophobicContact CD2-CE2 3.62Å; I16-F140 HydrophobicContact CD1-CE2 3.89Å; I16-F140 HydrophobicContact CD1-CZ 3.98Å; R43-F140 PolarHBondContact NE-O 3.2Å; R43-F140 PolarHBondContact NH1-O 3.4Å; R43-F140 PolarHBondContact NH2-O 3.31Å; L45-F140 HydrophobicContact CD1-CD1 4.32Å; L45-F140 HydrophobicContact CD1-CE1 4.28Å; L45-F140 HydrophobicContact CD2-CD1 4.45Å; L47-F140 HydrophobicContact CD1-CE1 4.11Å; L47-F140 HydrophobicContact CD1-CZ 4.13Å; L47-F140 HydrophobicContact CD2-CE1 4.06Å; F55-F140 AromaticContact CD2-CE2 3.62Å; F55-F140 HydrophobicContact CD2-CE2 3.62Å; F55-F140 HydrophobicContact CD2-CZ 4.06Å; F55-F140 HydrophobicContact CE1-CE2 4.45Å; F55-F140 HydrophobicContact CE2-CD2 4.15Å; F55-F140 AromaticContact CE2-CE2 3.32Å; F55-F140 HydrophobicContact CE2-CE2 3.32Å; F55-F140 HydrophobicContact CE2-CZ 4.12Å; F55-F140 HydrophobicContact CG-CE2 4.32Å; F55-F140 HydrophobicContact CG-CZ 4.36Å; F55-F140 AromaticContact CZ-CE2 3.8Å; F55-F140 HydrophobicContact CZ-CE2 3.8Å; F55-F140 HydrophobicContact CZ-CZ 4.45Å; I77-F140 HydrophobicContact CD1-CE1 4.15Å; I77-F140 HydrophobicContact CD1-CZ 4.41Å; V79-F140 HydrophobicContact CB-CD1 4.2Å; V79-F140 HydrophobicContact CB-CG 4.41Å; V79-F140 HydrophobicContact CG1-CB 3.91Å; V79-F140 HydrophobicContact CG1-CD1 3.91Å; V79-F140 HydrophobicContact CG1-CD2 3.84Å; V79-F140 HydrophobicContact CG1-CE1 4.46Å; V79-F140 HydrophobicContact CG1-CE2 4.32Å; V79-F140 HydrophobicContact CG1-CG 3.65Å; V79-F140 HydrophobicContact CG2-CD1 3.75Å; V79-F140 HydrophobicContact CG2-CE1 3.7Å; V79-F140 HydrophobicContact CG2-CG 4.34Å; V79-F140 HydrophobicContact CG2-CZ 4.16Å; E136-F140 WeakPolarHBondContact O-CD2 3.46Å; E136-F140 PolarHBondContact O-N 3.5Å; I137-F140 PolarHBondContact O-N 2.97Å; R138-F140 VanDerWaalsContact C-N 3.34Å; R138-F140 PolarHBondContact O-N 3.43Å
141	F	95.6	Very high	86	Confident	21 Å²	21	58.5 Å²	58.5	9%	0.092	31%	0.31	C	S	.	.			trans	-140	71.4	-174.1	-51.8	-79.2	0	0	0	110	L14 Q41 R43 V79 T81 I137 R138 N143 T144	L14-F141 HydrophobicContact CD1-CE2 4.39Å; Q41-F141 HydrophobicContact CB-CD1 3.96Å; Q41-F141 HydrophobicContact CB-CE1 3.72Å; Q41-F141 HydrophobicContact CB-CE2 4.33Å; Q41-F141 HydrophobicContact CB-CG 4.37Å; Q41-F141 HydrophobicContact CB-CZ 3.91Å; Q41-F141 HydrophobicContact CG-CD1 4.46Å; R43-F141 HydrophobicContact CB-CE1 4.26Å; R43-F141 HydrophobicContact CG-CE1 3.69Å; R43-F141 HydrophobicContact CG-CZ 3.8Å; V79-F141 HydrophobicContact CG1-CE2 3.93Å; V79-F141 HydrophobicContact CG1-CZ 4.25Å; T81-F141 VanDerWaalsContact OG1-CD2 3.31Å; T81-F141 WeakPolarHBondContact OG1-CD2 3.42Å; T81-F141 WeakPolarHBondContact OG1-CE2 3.49Å; I137-F141 HydrophobicContact CG2-CD2 4.39Å; I137-F141 WeakPolarHBondContact O-CA 3.37Å; I137-F141 PolarHBondContact O-N 2.95Å; R138-F141 CarbonylContact O-C 3.45Å; F141-N143 PolarHBondContact O-N 3.4Å; F141-N143 VanDerWaalsContact O-N 3.15Å; F141-T144 WeakPolarHBondContact CB-OG1 3.11Å; F141-T144 WeakPolarHBondContact O-CB 3.37Å; F141-T144 PolarHBondContact O-N 3.38Å; F141-T144 PolarHBondContact O-OG1 2.97Å
142	P	89.5	Confident	85.5	Confident	96 Å²	96	61.6 Å²	61.6	62%	0.623	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-26.8	-169.3	23.2	-34.5	0	0	0	114.1	R138 T144	R138-P142 VanDerWaalsContact O-CA 3.23Å; R138-P142 WeakPolarHBondContact O-CA 3.2Å; P142-T144 PolarHBondContact O-N 2.95Å
143	N	85.1	Confident	85.1	Confident	157 Å²	157	67.2 Å²	67.2	84%	0.84	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	8.8	178.8	-60.9	-28.3	0	0	0	113.4	F141	F141-N143 PolarHBondContact O-N 3.4Å; F141-N143 VanDerWaalsContact O-N 3.15Å
144	T	82.3	Confident	84.3	Confident	17 Å²	17	72.4 Å²	72.4	10%	0.104	36%	0.363	C	S	.	.			trans	-81.7	121.2	-177.1	-56.1	0	0	0	0	111.2	Q41 I137 F141 P142 I146	Q41-T144 PolarHBondContact NE2-OG1 3.44Å; Q41-T144 VanDerWaalsContact NE2-OG1 3.08Å; Q41-T144 PolarHBondContact OE1-OG1 3.43Å; I137-T144 HydrophobicContact CG2-CG2 4.09Å; F141-T144 WeakPolarHBondContact CB-OG1 3.11Å; F141-T144 WeakPolarHBondContact O-CB 3.37Å; F141-T144 PolarHBondContact O-N 3.38Å; F141-T144 PolarHBondContact O-OG1 2.97Å; P142-T144 PolarHBondContact O-N 2.95Å; T144-I146 HydrophobicContact CG2-CG1 3.93Å; T144-I146 PolarHBondContact O-N 2.97Å
145	V	77.1	Confident	83.9	Confident	91 Å²	91	73.9 Å²	73.9	55%	0.552	37%	0.372	S	S	*	.			trans	-76.2	109.2	169.3	-178.4	0	0	0	0	108.4	R12 F149	R12-V145 PolarHBondContact NH1-O 2.95Å; R12-V145 PolarHBondContact NH2-O 3.47Å; V145-F149 HydrophobicContact CG1-CE1 4.04Å; V145-F149 HydrophobicContact CG1-CZ 3.94Å
146	I	72.7	Confident	83.6	Confident	16 Å²	16	72.8 Å²	72.8	8%	0.082	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-101.1	121	177.8	-54	174.6	0	0	0	108.7	V134 I137 R138 T144	V134-I146 HydrophobicContact CB-CD1 4.38Å; V134-I146 HydrophobicContact CG1-CD1 4.14Å; V134-I146 HydrophobicContact CG2-CG2 4Å; I137-I146 HydrophobicContact CB-CD1 3.8Å; I137-I146 HydrophobicContact CD1-CD1 4.36Å; I137-I146 HydrophobicContact CG2-CD1 3.65Å; I137-I146 HydrophobicContact CG2-CG1 4.31Å; R138-I146 HydrophobicContact CG-CD1 4.14Å; T144-I146 HydrophobicContact CG2-CG1 3.93Å; T144-I146 PolarHBondContact O-N 2.97Å
147	E	69.9	Low	83.2	Confident	65 Å²	65	78.7 Å²	78.7	30%	0.304	40%	0.4	S	S	.	.	S	Bend	trans	-85.3	162.2	172.8	-69.2	-169.8	155.3	0	0	110.9	Y9 F149	Y9-E147 HydrophobicContact CD2-CB 4.35Å; Y9-E147 HydrophobicContact CE2-CB 4.38Å; Y9-E147 VanDerWaalsContact CE2-O 3.32Å; Y9-E147 WeakPolarHBondContact CE2-O 3.25Å; E147-F149 HydrophobicContact CG-CE2 4.38Å
148	P	68.1	Low	82.6	Confident	78 Å²	78	85.3 Å²	85.3	51%	0.506	43%	0.426	S	S	.	.	S	Bend	cis	-68	154.3	-9	31.8	-34.8	0	0	0	111	Y9	Y9-P148 VanDerWaalsContact CE2-CD 3.46Å
149	F	67.8	Low	82.2	Confident	123 Å²	123	81.8 Å²	81.8	54%	0.539	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-59.6	141.1	165.3	-66.1	-78.4	0	0	0	108.6	V145 E147 S151	V145-F149 HydrophobicContact CG1-CE1 4.04Å; V145-F149 HydrophobicContact CG1-CZ 3.94Å; E147-F149 HydrophobicContact CG-CE2 4.38Å; F149-S151 PolarHBondContact O-N 2.78Å
150	P	69.1	Low	82	Confident	76 Å²	76	82 Å²	82	49%	0.494	43%	0.425	S	S	.	.	P	Polyproline II helix	trans	-54	143.3	175.6	22.4	-31.8	0	0	0	109.7	Q154	P150-Q154 HydrophobicContact CB-CB 3.9Å
151	S	78.4	Confident	81.5	Confident	46 Å²	46	86.3 Å²	86.3	32%	0.322	45%	0.452	S	S	.	.	P	Polyproline II helix	trans	-61	167.7	171.9	85.1	0	0	0	0	110.1	F149 E153 Q154 T155	F149-S151 PolarHBondContact O-N 2.78Å; S151-E153 VanDerWaalsContact CB-OE2 3.27Å; S151-E153 WeakPolarHBondContact CB-OE2 3.47Å; S151-E153 PolarHBondContact O-N 3.01Å; S151-E153 PolarHBondContact OG-N 3.01Å; S151-E153 PolarHBondContact OG-OE2 2.79Å; S151-Q154 PolarHBondContact O-N 3.16Å; S151-Q154 PolarHBondContact OG-N 2.91Å; S151-T155 WeakPolarHBondContact O-CB 3.26Å; S151-T155 PolarHBondContact O-N 3.17Å; S151-T155 PolarHBondContact O-OG1 3.12Å
152	K	80.8	Confident	80.9	Confident	146 Å²	146	89.2 Å²	89.2	64%	0.635	47%	0.468	S	S	*	.	H	α-helix	trans	-57.1	-43.3	175.6	-171.4	-175.6	178.1	-152.8	0	110.7	T155 E156	K152-T155 WeakPolarHBondContact O-CB 3.43Å; K152-T155 PolarHBondContact O-N 3.21Å; K152-E156 WeakPolarHBondContact CE-OE1 3.34Å; K152-E156 IonicContact NZ-OE1 3.26Å; K152-E156 WeakPolarHBondContact O-CG 3.23Å; K152-E156 PolarHBondContact O-N 3.2Å
153	E	86.6	Confident	80.8	Confident	124 Å²	124	87 Å²	87	58%	0.579	45%	0.453	S	S	*	.	H	α-helix	trans	-63.6	-46.7	179.1	-56.8	73	-155.9	0	0	111.3	S151 T155 E156 E157	S151-E153 VanDerWaalsContact CB-OE2 3.27Å; S151-E153 WeakPolarHBondContact CB-OE2 3.47Å; S151-E153 PolarHBondContact O-N 3.01Å; S151-E153 PolarHBondContact OG-N 3.01Å; S151-E153 PolarHBondContact OG-OE2 2.79Å; E153-T155 VanDerWaalsContact C-N 3.27Å; E153-T155 PolarHBondContact O-N 3.2Å; E153-E156 PolarHBondContact O-N 3.22Å; E153-E157 WeakPolarHBondContact O-CB 3.35Å; E153-E157 PolarHBondContact O-N 3.25Å
154	Q	78.9	Confident	81.2	Confident	110 Å²	110	83.6 Å²	83.6	51%	0.514	43%	0.434	S	S	.	.	H	α-helix	trans	-63.7	-34.7	176.6	-67.9	177.2	-42.1	0	0	112.2	P150 S151 Y158	P150-Q154 HydrophobicContact CB-CB 3.9Å; S151-Q154 PolarHBondContact O-N 3.16Å; S151-Q154 PolarHBondContact OG-N 2.91Å; Q154-Y158 WeakPolarHBondContact O-CB 3.43Å; Q154-Y158 PolarHBondContact O-N 3.34Å
155	T	84.4	Confident	81.7	Confident	55 Å²	55	85.5 Å²	85.5	34%	0.337	45%	0.446	S	S	.	.	H	α-helix	trans	-67.3	-47.1	174.7	-57.5	0	0	0	0	110.7	S151 K152 E153 E157 Y158 L159	S151-T155 WeakPolarHBondContact O-CB 3.26Å; S151-T155 PolarHBondContact O-N 3.17Å; S151-T155 PolarHBondContact O-OG1 3.12Å; K152-T155 WeakPolarHBondContact O-CB 3.43Å; K152-T155 PolarHBondContact O-N 3.21Å; E153-T155 VanDerWaalsContact C-N 3.27Å; E153-T155 PolarHBondContact O-N 3.2Å; T155-E157 PolarHBondContact O-N 2.96Å; T155-Y158 PolarHBondContact O-N 3.11Å; T155-L159 HydrophobicContact CG2-CD1 3.96Å; T155-L159 HydrophobicContact CG2-CG 4.38Å; T155-L159 WeakPolarHBondContact O-CB 3.37Å; T155-L159 WeakPolarHBondContact O-CG 3.2Å; T155-L159 PolarHBondContact O-N 2.9Å
156	E	88.3	Confident	82.5	Confident	103 Å²	103	81.8 Å²	81.8	48%	0.481	42%	0.424	S	S	.	.	H	α-helix	trans	-61.6	-43.4	177.8	-74.4	173.9	174.9	0	0	111.7	K152 E153 L159 S160	K152-E156 WeakPolarHBondContact CE-OE1 3.34Å; K152-E156 IonicContact NZ-OE1 3.26Å; K152-E156 WeakPolarHBondContact O-CG 3.23Å; K152-E156 PolarHBondContact O-N 3.2Å; E153-E156 PolarHBondContact O-N 3.22Å; E156-L159 PolarHBondContact O-N 3.27Å; E156-S160 WeakPolarHBondContact O-CB 3.46Å; E156-S160 PolarHBondContact O-N 3.05Å; E156-S160 PolarHBondContact O-OG 3.31Å
157	E	88.7	Confident	83.5	Confident	128 Å²	128	84 Å²	84	60%	0.598	44%	0.436	S	S	*	.	H	α-helix	trans	-61	-51.9	175.9	-175.1	177	-164.6	0	0	110.9	E153 T155 L159 S160 V161	E153-E157 WeakPolarHBondContact O-CB 3.35Å; E153-E157 PolarHBondContact O-N 3.25Å; T155-E157 PolarHBondContact O-N 2.96Å; E157-L159 VanDerWaalsContact C-N 3.32Å; E157-L159 PolarHBondContact O-N 2.78Å; E157-S160 PolarHBondContact O-N 2.99Å; E157-S160 VanDerWaalsContact O-N 3.16Å; E157-S160 PolarHBondContact O-OG 3.31Å; E157-V161 HydrophobicContact CG-CG2 4.47Å; E157-V161 WeakPolarHBondContact O-CG2 3.4Å; E157-V161 PolarHBondContact O-N 2.8Å
158	Y	83.7	Confident	84.7	Confident	140 Å²	140	86 Å²	86	55%	0.549	45%	0.448	S	S	.	.	H	α-helix	trans	-58.2	-45	178.9	179.5	-94.7	0	0	0	112.1	Q154 T155 V161 N162 V163	Q154-Y158 WeakPolarHBondContact O-CB 3.43Å; Q154-Y158 PolarHBondContact O-N 3.34Å; T155-Y158 PolarHBondContact O-N 3.11Å; Y158-V161 PolarHBondContact O-N 2.68Å; Y158-N162 HydrophobicContact CD2-CB 4.4Å; Y158-N162 VanDerWaalsContact CD2-ND2 3.25Å; Y158-N162 WeakPolarHBondContact CD2-ND2 3.16Å; Y158-N162 HydrophobicContact CE1-CB 4.39Å; Y158-N162 HydrophobicContact CE2-CB 4.02Å; Y158-N162 WeakPolarHBondContact CE2-ND2 3.07Å; Y158-N162 WeakPolarHBondContact O-CB 3.37Å; Y158-N162 PolarHBondContact O-N 3.01Å; Y158-N162 PolarHBondContact O-ND2 2.93Å; Y158-N162 VanDerWaalsContact O-ND2 3.08Å; Y158-V163 HydrophobicContact CD1-CG2 4.3Å; Y158-V163 HydrophobicContact CE1-CG2 3.85Å
159	L	87.1	Confident	86	Confident	67 Å²	67	89 Å²	89	35%	0.351	45%	0.449	S	S	.	.	I	π-helix	trans	-61.2	-46.6	177.2	-71.9	174	0	0	0	110.9	T155 E156 E157 V161 V163 I164	T155-L159 HydrophobicContact CG2-CD1 3.96Å; T155-L159 HydrophobicContact CG2-CG 4.38Å; T155-L159 WeakPolarHBondContact O-CB 3.37Å; T155-L159 WeakPolarHBondContact O-CG 3.2Å; T155-L159 PolarHBondContact O-N 2.9Å; E156-L159 PolarHBondContact O-N 3.27Å; E157-L159 VanDerWaalsContact C-N 3.32Å; E157-L159 PolarHBondContact O-N 2.78Å; L159-V161 VanDerWaalsContact C-N 3.32Å; L159-V161 PolarHBondContact O-N 3.35Å; L159-V163 HydrophobicContact CD2-CB 3.98Å; L159-V163 HydrophobicContact CD2-CG1 4.23Å; L159-V163 HydrophobicContact CD2-CG2 3.99Å; L159-V163 PolarHBondContact O-N 3.4Å; L159-I164 HydrophobicContact CB-CD1 4.02Å; L159-I164 HydrophobicContact CB-CG1 4.25Å; L159-I164 WeakPolarHBondContact O-CB 3.43Å; L159-I164 WeakPolarHBondContact O-CG1 3.35Å; L159-I164 PolarHBondContact O-N 3.42Å
160	S	91.6	Very high	87.4	Confident	61 Å²	61	83.1 Å²	83.1	43%	0.427	42%	0.424	S	S	.	.	I	π-helix	trans	-63.9	-35.6	-178.7	72.9	0	0	0	0	113.3	E156 E157 P165	E156-S160 WeakPolarHBondContact O-CB 3.46Å; E156-S160 PolarHBondContact O-N 3.05Å; E156-S160 PolarHBondContact O-OG 3.31Å; E157-S160 PolarHBondContact O-N 2.99Å; E157-S160 VanDerWaalsContact O-N 3.16Å; E157-S160 PolarHBondContact O-OG 3.31Å; S160-P165 VanDerWaalsContact O-CD 3.23Å; S160-P165 WeakPolarHBondContact O-CD 3.46Å; S160-P165 VanDerWaalsContact O-CG 3.24Å; S160-P165 WeakPolarHBondContact O-CG 3.21Å
161	V	86.9	Confident	88.7	Confident	93 Å²	93	83 Å²	83	56%	0.564	42%	0.419	S	S	*	.	I	π-helix	trans	-84.6	-43.6	-177	175	0	0	0	0	111.7	E157 Y158 L159	E157-V161 HydrophobicContact CG-CG2 4.47Å; E157-V161 WeakPolarHBondContact O-CG2 3.4Å; E157-V161 PolarHBondContact O-N 2.8Å; Y158-V161 PolarHBondContact O-N 2.68Å; L159-V161 VanDerWaalsContact C-N 3.32Å; L159-V161 PolarHBondContact O-N 3.35Å
162	N	82.4	Confident	89.6	Confident	81 Å²	81	84 Å²	84	43%	0.433	42%	0.422	S	S	.	.	I	π-helix	trans	-109.6	-27.6	-164.6	-56.5	-81.9	0	0	0	114	Y158	Y158-N162 HydrophobicContact CD2-CB 4.4Å; Y158-N162 VanDerWaalsContact CD2-ND2 3.25Å; Y158-N162 WeakPolarHBondContact CD2-ND2 3.16Å; Y158-N162 HydrophobicContact CE1-CB 4.39Å; Y158-N162 HydrophobicContact CE2-CB 4.02Å; Y158-N162 WeakPolarHBondContact CE2-ND2 3.07Å; Y158-N162 WeakPolarHBondContact O-CB 3.37Å; Y158-N162 PolarHBondContact O-N 3.01Å; Y158-N162 PolarHBondContact O-ND2 2.93Å; Y158-N162 VanDerWaalsContact O-ND2 3.08Å
163	V	88.2	Confident	90.4	Very high	51 Å²	51	79.8 Å²	79.8	31%	0.309	41%	0.405	S	S	.	.	I	π-helix	trans	-110.5	-55.4	-169.5	-177.7	0	0	0	0	111.7	Y158 L159 P165 V166 L167	Y158-V163 HydrophobicContact CD1-CG2 4.3Å; Y158-V163 HydrophobicContact CE1-CG2 3.85Å; L159-V163 HydrophobicContact CD2-CB 3.98Å; L159-V163 HydrophobicContact CD2-CG1 4.23Å; L159-V163 HydrophobicContact CD2-CG2 3.99Å; L159-V163 PolarHBondContact O-N 3.4Å; V163-P165 VanDerWaalsContact C-CD 3.49Å; V163-V166 PolarHBondContact O-N 2.95Å; V163-L167 HydrophobicContact CG1-CD2 4.42Å; V163-L167 VanDerWaalsContact O-CB 3.26Å; V163-L167 WeakPolarHBondContact O-CB 3.48Å; V163-L167 PolarHBondContact O-N 3.26Å
164	I	92.4	Very high	90.8	Very high	85 Å²	85	75 Å²	75	44%	0.436	38%	0.383	S	S	.	.	H	α-helix	trans	-56.9	-43.6	-173.5	-68.3	174.2	0	0	0	112.5	L159 V166 L167 L168	L159-I164 HydrophobicContact CB-CD1 4.02Å; L159-I164 HydrophobicContact CB-CG1 4.25Å; L159-I164 WeakPolarHBondContact O-CB 3.43Å; L159-I164 WeakPolarHBondContact O-CG1 3.35Å; L159-I164 PolarHBondContact O-N 3.42Å; I164-V166 PolarHBondContact O-N 2.86Å; I164-L167 PolarHBondContact O-N 3.45Å; I164-L168 WeakPolarHBondContact O-CB 3.21Å; I164-L168 PolarHBondContact O-N 2.83Å
165	P	93.8	Very high	91.7	Very high	56 Å²	56	74.1 Å²	74.1	36%	0.364	39%	0.388	S	S	.	.	H	α-helix	trans	-62.1	-41.3	-176.8	-25.4	36	0	0	0	113.4	S160 V163 R169	S160-P165 VanDerWaalsContact O-CD 3.23Å; S160-P165 WeakPolarHBondContact O-CD 3.46Å; S160-P165 VanDerWaalsContact O-CG 3.24Å; S160-P165 WeakPolarHBondContact O-CG 3.21Å; V163-P165 VanDerWaalsContact C-CD 3.49Å; P165-R169 WeakPolarHBondContact O-CG 3.24Å; P165-R169 PolarHBondContact O-N 3.28Å; P165-R169 PolarHBondContact O-NE 3.45Å
166	V	92.3	Very high	92.2	Very high	14 Å²	14	77.7 Å²	77.7	9%	0.085	40%	0.399	C	S	.	.	H	α-helix	trans	-76.3	-44.8	179.7	-175.2	0	0	0	0	110.1	V163 I164 L168 R169 G170 W189 L190 P195	V163-V166 PolarHBondContact O-N 2.95Å; I164-V166 PolarHBondContact O-N 2.86Å; V166-L168 PolarHBondContact O-N 3.43Å; V166-R169 PolarHBondContact O-N 2.98Å; V166-G170 PolarHBondContact O-N 2.98Å; V166-W189 HydrophobicContact CG1-CZ3 4.16Å; V166-L190 HydrophobicContact CG1-CD2 3.78Å; V166-P195 HydrophobicContact CG2-CG 3.6Å
167	L	94.3	Very high	92.6	Very high	62 Å²	62	78.7 Å²	78.7	33%	0.325	40%	0.404	S	S	.	.	H	α-helix	trans	-62.7	-42.1	-179.2	-176.8	61.2	0	0	0	112	V163 I164 R169 G170 L171 L186 L190	V163-L167 HydrophobicContact CG1-CD2 4.42Å; V163-L167 VanDerWaalsContact O-CB 3.26Å; V163-L167 WeakPolarHBondContact O-CB 3.48Å; V163-L167 PolarHBondContact O-N 3.26Å; I164-L167 PolarHBondContact O-N 3.45Å; L167-R169 VanDerWaalsContact C-N 3.33Å; L167-R169 PolarHBondContact O-N 3.14Å; L167-G170 PolarHBondContact O-N 2.85Å; L167-L171 HydrophobicContact CD1-CD1 4.19Å; L167-L171 HydrophobicContact CD1-CG 4.19Å; L167-L171 HydrophobicContact CG-CD1 3.91Å; L167-L171 HydrophobicContact CG-CG 4.35Å; L167-L171 WeakPolarHBondContact O-CB 3.29Å; L167-L171 VanDerWaalsContact O-CG 3.29Å; L167-L171 WeakPolarHBondContact O-CG 3.4Å; L167-L171 PolarHBondContact O-N 2.65Å; L167-L186 HydrophobicContact CD1-CD2 4.45Å; L167-L190 HydrophobicContact CD1-CD1 4.43Å
168	L	95.6	Very high	92.9	Very high	108 Å²	108	80.8 Å²	80.8	57%	0.565	41%	0.411	S	S	*	.	H	α-helix	trans	-62.3	-41.1	178	-177.7	63.4	0	0	0	111.5	I164 V166 T172	I164-L168 WeakPolarHBondContact O-CB 3.21Å; I164-L168 PolarHBondContact O-N 2.83Å; V166-L168 PolarHBondContact O-N 3.43Å; L168-T172 WeakPolarHBondContact O-CB 3.26Å; L168-T172 PolarHBondContact O-N 3.2Å; L168-T172 PolarHBondContact O-OG1 3.04Å
169	R	95.2	Very high	93.5	Very high	140 Å²	140	75.6 Å²	75.6	53%	0.528	39%	0.394	S	S	.	.	H	α-helix	trans	-62.4	-49.2	174.1	-72.4	-174.5	-65	-157.3	4.9	111.1	P165 V166 L167 L171 T172 E173 W189	P165-R169 WeakPolarHBondContact O-CG 3.24Å; P165-R169 PolarHBondContact O-N 3.28Å; P165-R169 PolarHBondContact O-NE 3.45Å; V166-R169 PolarHBondContact O-N 2.98Å; L167-R169 VanDerWaalsContact C-N 3.33Å; L167-R169 PolarHBondContact O-N 3.14Å; R169-L171 PolarHBondContact O-N 3.18Å; R169-T172 WeakPolarHBondContact O-CB 3.41Å; R169-T172 PolarHBondContact O-N 3.05Å; R169-T172 VanDerWaalsContact O-N 3.12Å; R169-E173 PolarHBondContact O-N 3.38Å; R169-W189 HydrophobicContact CB-CH2 3.65Å; R169-W189 HydrophobicContact CB-CZ2 4.31Å; R169-W189 HydrophobicContact CB-CZ3 4.48Å
170	G	96	Very high	93.9	Very high	0 Å²	0	79.8 Å²	79.8	0%	0	42%	0.416	C	S	.	.	H	α-helix	trans	-60.5	-43.1	179.2	0	0	0	0	0	113.1	V166 L167 T172 E173 L174 L186 W189	V166-G170 PolarHBondContact O-N 2.98Å; L167-G170 PolarHBondContact O-N 2.85Å; G170-T172 VanDerWaalsContact C-N 3.32Å; G170-T172 PolarHBondContact O-N 3.31Å; G170-E173 PolarHBondContact O-N 3.37Å; G170-L174 VanDerWaalsContact O-CB 3.32Å; G170-L174 WeakPolarHBondContact O-CB 3.34Å; G170-L174 PolarHBondContact O-N 3.49Å; G170-L186 VanDerWaalsContact C-CD1 3.45Å; G170-W189 VanDerWaalsContact N-CZ3 3.35Å
171	L	97	Very high	94.2	Very high	74 Å²	74	82.5 Å²	82.5	39%	0.387	42%	0.422	S	S	.	.	H	α-helix	trans	-65.5	-35.8	175.2	-71.6	171.7	0	0	0	112.4	L167 R169 L174 C175 L186	L167-L171 HydrophobicContact CD1-CD1 4.19Å; L167-L171 HydrophobicContact CD1-CG 4.19Å; L167-L171 HydrophobicContact CG-CD1 3.91Å; L167-L171 HydrophobicContact CG-CG 4.35Å; L167-L171 WeakPolarHBondContact O-CB 3.29Å; L167-L171 VanDerWaalsContact O-CG 3.29Å; L167-L171 WeakPolarHBondContact O-CG 3.4Å; L167-L171 PolarHBondContact O-N 2.65Å; R169-L171 PolarHBondContact O-N 3.18Å; L171-L174 HydrophobicContact CD2-CD2 4.35Å; L171-C175 PolarHBondContact O-N 2.96Å; L171-C175 VanDerWaalsContact O-N 3.08Å; L171-C175 PolarHBondContact O-SG 3.31Å; L171-L186 HydrophobicContact CD2-CD2 3.71Å; L171-L186 HydrophobicContact CG-CD2 4.41Å
172	T	97	Very high	94.6	Very high	65 Å²	65	80.9 Å²	80.9	40%	0.399	41%	0.413	S	S	.	.	H	α-helix	trans	-64.4	-45.7	175.7	-60.3	0	0	0	0	110.8	L168 R169 G170 C175 K176	L168-T172 WeakPolarHBondContact O-CB 3.26Å; L168-T172 PolarHBondContact O-N 3.2Å; L168-T172 PolarHBondContact O-OG1 3.04Å; R169-T172 WeakPolarHBondContact O-CB 3.41Å; R169-T172 PolarHBondContact O-N 3.05Å; R169-T172 VanDerWaalsContact O-N 3.12Å; G170-T172 VanDerWaalsContact C-N 3.32Å; G170-T172 PolarHBondContact O-N 3.31Å; T172-C175 PolarHBondContact O-N 3.11Å; T172-K176 WeakPolarHBondContact O-CG 3.41Å; T172-K176 PolarHBondContact O-N 3.49Å
173	E	97.1	Very high	95.2	Very high	59 Å²	59	82.3 Å²	82.3	28%	0.276	43%	0.428	S	S	.	.	H	α-helix	trans	-67.9	-39.6	177	-62.8	-50.3	127.4	0	0	112	R169 G170 C175 K176 E177 W185 W189	R169-E173 PolarHBondContact O-N 3.38Å; G170-E173 PolarHBondContact O-N 3.37Å; E173-C175 VanDerWaalsContact C-N 3.27Å; E173-C175 PolarHBondContact O-N 3.33Å; E173-K176 WeakPolarHBondContact O-CB 3.15Å; E173-K176 PolarHBondContact O-N 3.26Å; E173-K176 IonicContact OE1-NZ 3.9Å; E173-K176 PolarHBondContact OE1-NZ 2.88Å; E173-K176 IonicContact OE2-NZ 2.7Å; E173-K176 PolarHBondContact OE2-NZ 3.26Å; E173-E177 PolarHBondContact O-N 3.45Å; E173-W185 HydrophobicContact CB-CH2 3.7Å; E173-W185 HydrophobicContact CB-CZ3 4.34Å; E173-W189 HydrophobicContact CG-CZ2 4.14Å
174	L	96.8	Very high	95.5	Very high	24 Å²	24	84.8 Å²	84.8	13%	0.126	44%	0.439	C	S	.	.	H	α-helix	trans	-56.7	-42.2	175.1	178.5	67.6	0	0	0	111.9	G170 L171 K176 K178 P179 P182 W185 L186	G170-L174 VanDerWaalsContact O-CB 3.32Å; G170-L174 WeakPolarHBondContact O-CB 3.34Å; G170-L174 PolarHBondContact O-N 3.49Å; L171-L174 HydrophobicContact CD2-CD2 4.35Å; L174-K176 VanDerWaalsContact C-N 3.26Å; L174-K176 PolarHBondContact O-N 2.98Å; L174-K178 PolarHBondContact O-N 3.39Å; L174-P179 HydrophobicContact CD1-CG 3.53Å; L174-P182 HydrophobicContact CD1-CB 3.83Å; L174-P182 WeakPolarHBondContact CD1-O 3.44Å; L174-P182 HydrophobicContact CD2-CB 4.12Å; L174-P182 HydrophobicContact CG-CB 4.41Å; L174-W185 HydrophobicContact CB-CE3 3.97Å; L174-W185 HydrophobicContact CB-CZ3 3.72Å; L174-W185 HydrophobicContact CD1-CB 4.48Å; L174-W185 HydrophobicContact CD1-CD2 4.11Å; L174-W185 HydrophobicContact CD1-CE3 3.49Å; L174-W185 VanDerWaalsContact CD1-CE3 3.49Å; L174-W185 HydrophobicContact CD1-CZ3 4.13Å; L174-W185 HydrophobicContact CG-CE3 4.33Å; L174-L186 HydrophobicContact CD2-CB 4.32Å; L174-L186 HydrophobicContact CD2-CD2 4.33Å
175	C	96.4	Very high	95.7	Very high	91 Å²	91	84 Å²	84	62%	0.615	43%	0.43	S	S	*	.	H	α-helix	trans	-65.6	-27.2	176.9	-76.2	0	0	0	0	113.4	L171 T172 E173 K178	L171-C175 PolarHBondContact O-N 2.96Å; L171-C175 VanDerWaalsContact O-N 3.08Å; L171-C175 PolarHBondContact O-SG 3.31Å; T172-C175 PolarHBondContact O-N 3.11Å; E173-C175 VanDerWaalsContact C-N 3.27Å; E173-C175 PolarHBondContact O-N 3.33Å; C175-K178 VanDerWaalsContact O-CE 3.26Å; C175-K178 WeakPolarHBondContact O-CE 3.42Å; C175-K178 WeakPolarHBondContact O-CG 3.33Å
176	K	95.9	Very high	95.8	Very high	129 Å²	129	82.4 Å²	82.4	56%	0.561	42%	0.419	S	S	*	.	H	α-helix	trans	-78	-49.7	175.7	-66.6	171.6	-174.7	169	0	111.2	T172 E173 L174	T172-K176 WeakPolarHBondContact O-CG 3.41Å; T172-K176 PolarHBondContact O-N 3.49Å; E173-K176 WeakPolarHBondContact O-CB 3.15Å; E173-K176 PolarHBondContact O-N 3.26Å; E173-K176 IonicContact OE1-NZ 3.9Å; E173-K176 PolarHBondContact OE1-NZ 2.88Å; E173-K176 IonicContact OE2-NZ 2.7Å; E173-K176 PolarHBondContact OE2-NZ 3.26Å; L174-K176 VanDerWaalsContact C-N 3.26Å; L174-K176 PolarHBondContact O-N 2.98Å
177	E	96.3	Very high	95.8	Very high	125 Å²	125	84 Å²	84	58%	0.584	43%	0.433	S	S	*	.	H	α-helix	trans	-74.1	-33.8	-174.2	-68.4	-61	136.9	0	0	113.2	E173 W185	E173-E177 PolarHBondContact O-N 3.45Å; E177-W185 HydrophobicContact CB-CZ2 4.13Å; E177-W185 HydrophobicContact CG-CH2 4.3Å; E177-W185 HydrophobicContact CG-CZ2 3.71Å
178	K	95.9	Very high	95.8	Very high	172 Å²	172	85 Å²	85	75%	0.748	44%	0.439	S	S	*	.			trans	47	53.4	-178.9	-57.6	179.4	-177.2	175.2	0	113.5	L174 C175	L174-K178 PolarHBondContact O-N 3.39Å; C175-K178 VanDerWaalsContact O-CE 3.26Å; C175-K178 WeakPolarHBondContact O-CE 3.42Å; C175-K178 WeakPolarHBondContact O-CG 3.33Å
179	P	96.3	Very high	95.8	Very high	30 Å²	30	81.8 Å²	81.8	20%	0.195	42%	0.419	C	S	.	.			trans	-66.4	156.8	-177.5	32.2	-39.1	0	0	0	111.6	L174 H181 P182 W185	L174-P179 HydrophobicContact CD1-CG 3.53Å; P179-H181 PolarHBondContact O-N 2.86Å; P179-P182 WeakPolarHBondContact O-CD 3.29Å; P179-W185 HydrophobicContact CB-CB 4.04Å; P179-W185 HydrophobicContact CB-CG 3.91Å; P179-W185 HydrophobicContact CG-CB 3.57Å; P179-W185 HydrophobicContact CG-CD2 3.99Å; P179-W185 HydrophobicContact CG-CG 3.5Å
180	L	94.9	Very high	95.7	Very high	156 Å²	156	77.8 Å²	77.8	82%	0.817	41%	0.408	S	S	*	.	S	Bend	trans	-59.2	-29.8	178.7	-159.9	100.8	0	0	0	112.9	P182	L180-P182 WeakPolarHBondContact O-CD 3.32Å
181	H	96.8	Very high	95.3	Very high	117 Å²	117	83.8 Å²	83.8	54%	0.542	44%	0.439	S	S	.	.	S	Bend	trans	-123.3	79.4	179	-61	-54.3	0	0	0	111.7	P179 C183 I184 W185	P179-H181 PolarHBondContact O-N 2.86Å; H181-C183 PolarHBondContact O-N 3.05Å; H181-I184 HydrophobicContact CB-CB 4.24Å; H181-I184 HydrophobicContact CB-CD1 4.18Å; H181-I184 HydrophobicContact CB-CG1 4.42Å; H181-I184 PolarHBondContact O-N 3.43Å; H181-W185 WeakPolarHBondContact O-CB 3.49Å; H181-W185 PolarHBondContact O-N 3.12Å
182	P	95.7	Very high	95	Very high	59 Å²	59	86 Å²	86	38%	0.383	45%	0.452	S	S	.	.	H	α-helix	trans	-56.2	-40.7	-172.9	-29.5	37	0	0	0	115.4	L174 P179 L180 L186	L174-P182 HydrophobicContact CD1-CB 3.83Å; L174-P182 WeakPolarHBondContact CD1-O 3.44Å; L174-P182 HydrophobicContact CD2-CB 4.12Å; L174-P182 HydrophobicContact CG-CB 4.41Å; P179-P182 WeakPolarHBondContact O-CD 3.29Å; L180-P182 WeakPolarHBondContact O-CD 3.32Å; P182-L186 WeakPolarHBondContact O-CB 3.32Å; P182-L186 PolarHBondContact O-N 2.93Å
183	C	94.4	Very high	94.6	Very high	111 Å²	111	85.4 Å²	85.4	75%	0.75	45%	0.446	S	S	*	.	H	α-helix	trans	-69.9	-42.2	-177.8	-60.8	0	0	0	0	112.8	H181 A187	H181-C183 PolarHBondContact O-N 3.05Å; C183-A187 WeakPolarHBondContact O-CB 3.47Å; C183-A187 PolarHBondContact O-N 3.39Å
184	I	94.9	Very high	93.8	Very high	104 Å²	104	85 Å²	85	53%	0.533	45%	0.446	S	S	.	.	H	α-helix	trans	-66.1	-48.3	178.3	-62.4	176.2	0	0	0	109	H181 L186 A187 D188	H181-I184 HydrophobicContact CB-CB 4.24Å; H181-I184 HydrophobicContact CB-CD1 4.18Å; H181-I184 HydrophobicContact CB-CG1 4.42Å; H181-I184 PolarHBondContact O-N 3.43Å; I184-L186 VanDerWaalsContact C-N 3.31Å; I184-L186 PolarHBondContact O-N 2.99Å; I184-A187 WeakPolarHBondContact O-CB 3.38Å; I184-A187 PolarHBondContact O-N 2.94Å; I184-A187 VanDerWaalsContact O-N 3.11Å; I184-D188 PolarHBondContact O-N 3.48Å
185	W	97.3	Very high	92.7	Very high	67 Å²	67	88.1 Å²	88.1	25%	0.254	47%	0.468	S	S	.	.	H	α-helix	trans	-57.5	-44.1	178.3	-174.2	97.9	0	0	0	112.2	E173 L174 E177 P179 H181 D188 W189	E173-W185 HydrophobicContact CB-CH2 3.7Å; E173-W185 HydrophobicContact CB-CZ3 4.34Å; L174-W185 HydrophobicContact CB-CE3 3.97Å; L174-W185 HydrophobicContact CB-CZ3 3.72Å; L174-W185 HydrophobicContact CD1-CB 4.48Å; L174-W185 HydrophobicContact CD1-CD2 4.11Å; L174-W185 HydrophobicContact CD1-CE3 3.49Å; L174-W185 VanDerWaalsContact CD1-CE3 3.49Å; L174-W185 HydrophobicContact CD1-CZ3 4.13Å; L174-W185 HydrophobicContact CG-CE3 4.33Å; E177-W185 HydrophobicContact CB-CZ2 4.13Å; E177-W185 HydrophobicContact CG-CH2 4.3Å; E177-W185 HydrophobicContact CG-CZ2 3.71Å; P179-W185 HydrophobicContact CB-CB 4.04Å; P179-W185 HydrophobicContact CB-CG 3.91Å; P179-W185 HydrophobicContact CG-CB 3.57Å; P179-W185 HydrophobicContact CG-CD2 3.99Å; P179-W185 HydrophobicContact CG-CG 3.5Å; H181-W185 WeakPolarHBondContact O-CB 3.49Å; H181-W185 PolarHBondContact O-N 3.12Å; W185-D188 PolarHBondContact O-N 2.87Å; W185-W189 HydrophobicContact CE3-CB 4.15Å; W185-W189 HydrophobicContact CH2-CB 4.17Å; W185-W189 AromaticContact CH2-CD1 3.3Å; W185-W189 AromaticContact CH2-CG 3.84Å; W185-W189 HydrophobicContact CH2-CG 3.84Å; W185-W189 AromaticContact CH2-NE1 3.97Å; W185-W189 AromaticContact CZ2-CD1 3.85Å; W185-W189 HydrophobicContact CZ3-CB 3.87Å; W185-W189 AromaticContact CZ3-CD1 3.82Å; W185-W189 AromaticContact CZ3-CG 3.88Å; W185-W189 HydrophobicContact CZ3-CG 3.88Å; W185-W189 VanDerWaalsContact O-CB 3.29Å; W185-W189 WeakPolarHBondContact O-CB 3.33Å; W185-W189 PolarHBondContact O-N 3.19Å
186	L	95.5	Very high	91.4	Very high	24 Å²	24	88.4 Å²	88.4	13%	0.126	47%	0.471	C	S	.	.	H	α-helix	trans	-66.6	-38.1	178.2	-177.9	62.4	0	0	0	111.8	L167 G170 L171 L174 P182 I184 W189 L190	L167-L186 HydrophobicContact CD1-CD2 4.45Å; G170-L186 VanDerWaalsContact C-CD1 3.45Å; L171-L186 HydrophobicContact CD2-CD2 3.71Å; L171-L186 HydrophobicContact CG-CD2 4.41Å; L174-L186 HydrophobicContact CD2-CB 4.32Å; L174-L186 HydrophobicContact CD2-CD2 4.33Å; P182-L186 WeakPolarHBondContact O-CB 3.32Å; P182-L186 PolarHBondContact O-N 2.93Å; I184-L186 VanDerWaalsContact C-N 3.31Å; I184-L186 PolarHBondContact O-N 2.99Å; L186-W189 PolarHBondContact O-N 3.43Å; L186-L190 HydrophobicContact CD1-CD1 4.42Å; L186-L190 HydrophobicContact CD1-CG 4.26Å; L186-L190 HydrophobicContact CG-CD1 4.09Å; L186-L190 HydrophobicContact CG-CG 4.38Å; L186-L190 WeakPolarHBondContact O-CB 3.46Å; L186-L190 WeakPolarHBondContact O-CG 3.26Å; L186-L190 PolarHBondContact O-N 2.7Å
187	A	93.1	Very high	89.8	Confident	47 Å²	47	88.4 Å²	88.4	39%	0.388	47%	0.473	S	S	.	.	H	α-helix	trans	-61.7	-48.4	175.8	0	0	0	0	0	111.3	C183 I184 W189 L190 L191	C183-A187 WeakPolarHBondContact O-CB 3.47Å; C183-A187 PolarHBondContact O-N 3.39Å; I184-A187 WeakPolarHBondContact O-CB 3.38Å; I184-A187 PolarHBondContact O-N 2.94Å; I184-A187 VanDerWaalsContact O-N 3.11Å; A187-W189 VanDerWaalsContact C-N 3.32Å; A187-W189 PolarHBondContact O-N 2.81Å; A187-L190 PolarHBondContact O-N 3.36Å; A187-L191 WeakPolarHBondContact O-CG 3.4Å; A187-L191 PolarHBondContact O-N 3.41Å
188	D	93.9	Very high	87.7	Confident	82 Å²	82	87.9 Å²	87.9	44%	0.439	48%	0.48	S	S	.	.	H	α-helix	trans	-62	-41.6	176.4	-66.3	-26.2	0	0	0	111.4	I184 W185 L190 L191 N192	I184-D188 PolarHBondContact O-N 3.48Å; W185-D188 PolarHBondContact O-N 2.87Å; D188-L190 PolarHBondContact O-N 3.14Å; D188-L191 PolarHBondContact O-N 3.37Å; D188-N192 WeakPolarHBondContact O-CB 3.34Å; D188-N192 PolarHBondContact O-N 2.97Å; D188-N192 PolarHBondContact O-ND2 3.08Å
189	W	95.1	Very high	85.7	Confident	41 Å²	41	86.2 Å²	86.2	16%	0.155	48%	0.475	C	S	.	.	H	α-helix	trans	-60.6	-45.7	176.1	-171.4	97.7	0	0	0	111.4	V166 R169 G170 E173 W185 L186 A187 N192 N193	V166-W189 HydrophobicContact CG1-CZ3 4.16Å; R169-W189 HydrophobicContact CB-CH2 3.65Å; R169-W189 HydrophobicContact CB-CZ2 4.31Å; R169-W189 HydrophobicContact CB-CZ3 4.48Å; G170-W189 VanDerWaalsContact N-CZ3 3.35Å; E173-W189 HydrophobicContact CG-CZ2 4.14Å; W185-W189 HydrophobicContact CE3-CB 4.15Å; W185-W189 HydrophobicContact CH2-CB 4.17Å; W185-W189 AromaticContact CH2-CD1 3.3Å; W185-W189 AromaticContact CH2-CG 3.84Å; W185-W189 HydrophobicContact CH2-CG 3.84Å; W185-W189 AromaticContact CH2-NE1 3.97Å; W185-W189 AromaticContact CZ2-CD1 3.85Å; W185-W189 HydrophobicContact CZ3-CB 3.87Å; W185-W189 AromaticContact CZ3-CD1 3.82Å; W185-W189 AromaticContact CZ3-CG 3.88Å; W185-W189 HydrophobicContact CZ3-CG 3.88Å; W185-W189 VanDerWaalsContact O-CB 3.29Å; W185-W189 WeakPolarHBondContact O-CB 3.33Å; W185-W189 PolarHBondContact O-N 3.19Å; L186-W189 PolarHBondContact O-N 3.43Å; A187-W189 VanDerWaalsContact C-N 3.32Å; A187-W189 PolarHBondContact O-N 2.81Å; W189-N192 PolarHBondContact O-N 3.03Å; W189-N193 HydrophobicContact CD2-CB 4.36Å; W189-N193 HydrophobicContact CE3-CB 4.04Å; W189-N193 HydrophobicContact CH2-CB 3.84Å; W189-N193 HydrophobicContact CZ2-CB 4.2Å; W189-N193 HydrophobicContact CZ3-CB 3.76Å; W189-N193 WeakPolarHBondContact O-CB 3.34Å; W189-N193 PolarHBondContact O-N 3.3Å; W189-N193 PolarHBondContact O-ND2 3.49Å
190	L	92.8	Very high	83.4	Confident	56 Å²	56	92.3 Å²	92.3	29%	0.293	50%	0.504	S	S	.	.	H	α-helix	trans	-63.8	-42.1	179	-73.1	170.2	0	0	0	111.7	V166 L167 L186 A187 D188 N192 N193 D194	V166-L190 HydrophobicContact CG1-CD2 3.78Å; L167-L190 HydrophobicContact CD1-CD1 4.43Å; L186-L190 HydrophobicContact CD1-CD1 4.42Å; L186-L190 HydrophobicContact CD1-CG 4.26Å; L186-L190 HydrophobicContact CG-CD1 4.09Å; L186-L190 HydrophobicContact CG-CG 4.38Å; L186-L190 WeakPolarHBondContact O-CB 3.46Å; L186-L190 WeakPolarHBondContact O-CG 3.26Å; L186-L190 PolarHBondContact O-N 2.7Å; A187-L190 PolarHBondContact O-N 3.36Å; D188-L190 PolarHBondContact O-N 3.14Å; L190-N192 VanDerWaalsContact C-N 3.3Å; L190-N192 PolarHBondContact O-N 3.18Å; L190-N193 CarbonylContact O-C 3.58Å; L190-N193 PolarHBondContact O-N 2.94Å; L190-D194 PolarHBondContact O-N 2.96Å; L190-D194 VanDerWaalsContact O-N 3.08Å
191	L	88.9	Confident	80.9	Confident	126 Å²	126	91.5 Å²	91.5	66%	0.66	50%	0.501	S	S	*	.	H	α-helix	trans	-61	-40	176.2	-72.6	170	0	0	0	111.8	A187 D188 N193	A187-L191 WeakPolarHBondContact O-CG 3.4Å; A187-L191 PolarHBondContact O-N 3.41Å; D188-L191 PolarHBondContact O-N 3.37Å; L191-N193 VanDerWaalsContact C-N 3.31Å; L191-N193 PolarHBondContact O-N 3.29Å
192	N	90	Very high	78.3	Confident	122 Å²	122	90.8 Å²	90.8	65%	0.652	52%	0.515	S	S	*	.	H	α-helix	trans	-77.9	-13.9	178.8	-69.6	-42.7	0	0	0	113.9	D188 W189 L190	D188-N192 WeakPolarHBondContact O-CB 3.34Å; D188-N192 PolarHBondContact O-N 2.97Å; D188-N192 PolarHBondContact O-ND2 3.08Å; W189-N192 PolarHBondContact O-N 3.03Å; L190-N192 VanDerWaalsContact C-N 3.3Å; L190-N192 PolarHBondContact O-N 3.18Å
193	N	88.6	Confident	75.6	Confident	51 Å²	51	90.8 Å²	90.8	27%	0.273	53%	0.526	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.9	24.6	-176.5	-68.9	-90.5	0	0	0	112.3	W189 L190 L191 P195	W189-N193 HydrophobicContact CD2-CB 4.36Å; W189-N193 HydrophobicContact CE3-CB 4.04Å; W189-N193 HydrophobicContact CH2-CB 3.84Å; W189-N193 HydrophobicContact CZ2-CB 4.2Å; W189-N193 HydrophobicContact CZ3-CB 3.76Å; W189-N193 WeakPolarHBondContact O-CB 3.34Å; W189-N193 PolarHBondContact O-N 3.3Å; W189-N193 PolarHBondContact O-ND2 3.49Å; L190-N193 CarbonylContact O-C 3.58Å; L190-N193 PolarHBondContact O-N 2.94Å; L191-N193 VanDerWaalsContact C-N 3.31Å; L191-N193 PolarHBondContact O-N 3.29Å; N193-P195 WeakPolarHBondContact O-CD 3.41Å
194	D	80.6	Confident	72.9	Confident	50 Å²	50	92.2 Å²	92.2	27%	0.267	53%	0.526	S	S	.	.			trans	-66.7	115	177	-173.9	-15.3	0	0	0	110.1	L190 S196 Q197	L190-D194 PolarHBondContact O-N 2.96Å; L190-D194 VanDerWaalsContact O-N 3.08Å; D194-S196 PolarHBondContact O-N 2.98Å; D194-S196 WeakPolarHBondContact OD1-CB 3.49Å; D194-S196 PolarHBondContact OD1-N 3.41Å; D194-S196 PolarHBondContact OD1-OG 3.08Å; D194-S196 PolarHBondContact OD2-OG 3.4Å; D194-S196 VanDerWaalsContact OD2-OG 3.14Å; D194-Q197 HydrophobicContact CB-CB 4.44Å; D194-Q197 HydrophobicContact CB-CG 4.35Å; D194-Q197 PolarHBondContact O-N 3.35Å
195	P	74.1	Confident	70.1	Confident	91 Å²	91	95.3 Å²	95.3	59%	0.591	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-12.9	-179.4	30.8	-37.6	0	0	0	113.5	V166 N193	V166-P195 HydrophobicContact CG2-CG 3.6Å; N193-P195 WeakPolarHBondContact O-CD 3.41Å
196	S	67.9	Low	67.3	Low	96 Å²	96	99.2 Å²	99.2	67%	0.671	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.4	-12.7	177.1	73.5	0	0	0	0	113.5	D194	D194-S196 PolarHBondContact O-N 2.98Å; D194-S196 WeakPolarHBondContact OD1-CB 3.49Å; D194-S196 PolarHBondContact OD1-N 3.41Å; D194-S196 PolarHBondContact OD1-OG 3.08Å; D194-S196 PolarHBondContact OD2-OG 3.4Å; D194-S196 VanDerWaalsContact OD2-OG 3.14Å
197	Q	62.9	Low	64.6	Low	129 Å²	129	106.6 Å²	106.6	60%	0.603	60%	0.601	S	S	*	*	S	Bend	trans	-104.3	141.3	175.5	-63	-154.5	14.3	0	0	111.7	D194 Q199	D194-Q197 HydrophobicContact CB-CB 4.44Å; D194-Q197 HydrophobicContact CB-CG 4.35Å; D194-Q197 PolarHBondContact O-N 3.35Å; Q197-Q199 PolarHBondContact O-N 2.7Å
198	P	51.9	Low	61.8	Low	115 Å²	115	108.1 Å²	108.1	75%	0.747	62%	0.621	S	S	*	*			trans	-64	128.6	172.4	25.3	-31.1	0	0	0	110.2	I200	P198-I200 PolarHBondContact O-N 3.49Å; P198-I200 VanDerWaalsContact O-N 3.14Å
199	Q	53.6	Low	59.2	Low	137 Å²	137	112.5 Å²	112.5	64%	0.64	64%	0.639	S	S	*	*			trans	-70.6	108	174.5	-69.2	-171.1	-23.7	0	0	109.7	Q197 N201	Q197-Q199 PolarHBondContact O-N 2.7Å; Q199-N201 PolarHBondContact O-N 3.09Å; Q199-N201 VanDerWaalsContact O-N 3.09Å
200	I	48.3	Very low	56.5	Low	157 Å²	157	123.9 Å²	123.9	81%	0.805	69%	0.69	S	S	*	*			trans	-77.1	95.7	170.5	-54.9	179.4	0	0	0	107.1	P198 A202	P198-I200 PolarHBondContact O-N 3.49Å; P198-I200 VanDerWaalsContact O-N 3.14Å; I200-A202 PolarHBondContact O-N 2.81Å
201	N	42.7	Very low	54.7	Low	139 Å²	139	127.3 Å²	127.3	74%	0.743	71%	0.71	S	S	*	*			trans	-67.4	100.3	164.7	-78	-19.9	0	0	0	107.9	Q199 G203	Q199-N201 PolarHBondContact O-N 3.09Å; Q199-N201 VanDerWaalsContact O-N 3.09Å; N201-G203 PolarHBondContact O-N 2.99Å
202	A	42.8	Very low	52.9	Low	102 Å²	102	127.4 Å²	127.4	84%	0.843	71%	0.712	S	S	*	*			trans	-69.6	70	162.1	0	0	0	0	0	108.8	I200	I200-A202 PolarHBondContact O-N 2.81Å
203	G	38.8	Very low	50.8	Low	60 Å²	60	127.7 Å²	127.7	62%	0.619	72%	0.716	S	S	*	*			trans	-96.6	105.8	178.3	0	0	0	0	0	110.8	N201	N201-G203 PolarHBondContact O-N 2.99Å
204	N	36.8	Very low	48.6	Very low	141 Å²	141	132.2 Å²	132.2	75%	0.754	74%	0.742	S	S	*	*			trans	40.8	89.7	153.1	-62.1	-11	0	0	0	117.3	L206	N204-L206 VanDerWaalsContact C-N 3.27Å; N204-L206 PolarHBondContact O-N 3.06Å
205	I	36.7	Very low	46.6	Very low	169 Å²	169	137.3 Å²	137.3	87%	0.867	77%	0.771	S	S	*	*			trans	-67.4	99.3	144.2	-60.2	174.8	0	0	0	105.1	E207	I205-E207 PolarHBondContact O-N 3.13Å; I205-E207 VanDerWaalsContact O-N 3.13Å
206	L	37.5	Very low	44.8	Very low	148 Å²	148	140.4 Å²	140.4	78%	0.775	78%	0.783	S	S	*	*			trans	-62.7	111.4	163.3	-69.5	171	0	0	0	106.5	N204 G208	N204-L206 VanDerWaalsContact C-N 3.27Å; N204-L206 PolarHBondContact O-N 3.06Å; L206-G208 VanDerWaalsContact C-N 3.32Å; L206-G208 PolarHBondContact O-N 3.34Å
207	E	39.9	Very low	43.1	Very low	179 Å²	179	143.6 Å²	143.6	84%	0.836	79%	0.791	S	S	*	*			trans	-57	100.3	158.9	-73.1	-176.6	152.7	0	0	107.6	I205 E209	I205-E207 PolarHBondContact O-N 3.13Å; I205-E207 VanDerWaalsContact O-N 3.13Å; E207-E209 PolarHBondContact O-N 2.95Å
208	G	33.6	Very low	41.6	Very low	79 Å²	79	144.7 Å²	144.7	81%	0.814	81%	0.806	S	S	*	*			trans	-82.1	90.4	161.8	0	0	0	0	0	108.3	L206	L206-G208 VanDerWaalsContact C-N 3.32Å; L206-G208 PolarHBondContact O-N 3.34Å
209	E	40.6	Very low	40.7	Very low	174 Å²	174	147.2 Å²	147.2	81%	0.813	81%	0.811	S	S	*	*			trans	-72.9	136.3	159.6	-76.7	-168.5	142.6	0	0	110.3	E207	E207-E209 PolarHBondContact O-N 2.95Å
210	K	37.4	Very low	39.6	Very low	281 Å²	281	148.1 Å²	148.1	100%	1.222	83%	0.826	S	S	*	*			trans	89.1	0	171.3	-63.9	-173.5	179.7	177.3	0	118.6

Retrieved 210 of 210 residues in 343.9 ms (Link to these results)

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