A0A077ZQ31_TRITR Loading...

Phenylalanyl-tRNA synthetase beta chain

AlphaFold DB , UniProt , Accession A0A077ZQ31, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 186 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	63.6	Low	90.5	Very high	243 Å²	243	89.5 Å²	89.5	100%	1.197	51%	0.514	S	S	*	.				0	-26.7	0	-74.8	-171.7	-73.8	0	0	113.9
2	A	81.6	Confident	91	Very high	38 Å²	38	85.8 Å²	85.8	31%	0.314	49%	0.494	S	S	.	.			trans	-105.3	7.6	177	0	0	0	0	0	115.1	L4 L156	A2-L4 VanDerWaalsContact C-N 3.29Å; A2-L156 HydrophobicContact CB-CD1 3.37Å; A2-L156 HydrophobicContact CB-CD2 3.89Å; A2-L156 HydrophobicContact CB-CG 4.22Å
3	G	87.7	Confident	91.3	Very high	49 Å²	49	79.8 Å²	79.8	51%	0.505	46%	0.46	S	S	.	.	S	Bend	trans	81.2	4.6	-170.9	0	0	0	0	0	114.6
4	L	92	Very high	91.5	Very high	26 Å²	26	75.4 Å²	75.4	14%	0.136	44%	0.44	C	S	.	.			trans	-106.6	104.2	167.6	-57.5	179.4	0	0	0	107.6	A2 I134 C143 D152	A2-L4 VanDerWaalsContact C-N 3.29Å; L4-I134 HydrophobicContact CB-CG2 3.94Å; L4-I134 HydrophobicContact CD2-CG2 4.31Å; L4-C143 HydrophobicContact CD2-CB 3.97Å; L4-D152 HydrophobicContact CD1-CB 4.02Å
5	E	93.6	Very high	91.7	Very high	135 Å²	135	77.7 Å²	77.7	63%	0.631	46%	0.463	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79	134.2	176.8	-175.3	164.1	-156.6	0	0	109.1	I134 S135	E5-I134 CarbonylContact O-C 3.48Å; E5-I134 WeakPolarHBondContact O-CA 3.33Å; E5-S135 PolarHBondContact O-N 3Å
6	V	95.9	Very high	92	Very high	78 Å²	78	73.6 Å²	73.6	47%	0.473	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	113.8	179.4	175.7	0	0	0	0	107.4	V9 I132 E133	V6-V9 HydrophobicContact CG1-CG2 3.73Å; V6-I132 HydrophobicContact CG1-CG2 3.83Å; V6-I132 HydrophobicContact CG2-CG2 4.11Å; V6-E133 WeakPolarHBondContact CA-O 3.23Å
7	D	95.5	Very high	92.3	Very high	86 Å²	86	75.6 Å²	75.6	46%	0.46	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	-32.3	-179.2	-67.9	-30.1	0	0	0	111.6	E133 S135	D7-E133 HydrophobicContact CB-CB 4.46Å; D7-E133 HydrophobicContact CB-CG 4.22Å; D7-E133 PolarHBondContact N-O 3.33Å; D7-S135 PolarHBondContact OD1-OG 2.67Å; D7-S135 VanDerWaalsContact OD2-CB 3.23Å; D7-S135 WeakPolarHBondContact OD2-CB 3.41Å; D7-S135 PolarHBondContact OD2-OG 3.2Å
8	G	95.7	Very high	92.5	Very high	20 Å²	20	72.6 Å²	72.6	21%	0.206	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	149.3	-175.1	0	0	0	0	0	112.7	E133	G8-E133 PolarHBondContact O-N 3.19Å
9	V	97.3	Very high	92.7	Very high	87 Å²	87	68.8 Å²	68.8	53%	0.527	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	115	166.6	-176.1	0	0	0	0	107.1	V6 N130 T131 I132	V6-V9 HydrophobicContact CG1-CG2 3.73Å; V9-N130 HydrophobicContact CG1-CB 3.82Å; V9-T131 WeakPolarHBondContact CA-O 3.1Å; V9-I132 HydrophobicContact CG1-CG1 4.39Å; V9-I132 HydrophobicContact CG2-CG1 4.4Å; V9-I132 HydrophobicContact CG2-CG2 4.47Å
10	E	96.2	Very high	93	Very high	136 Å²	136	66.6 Å²	66.6	64%	0.636	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.7	140.7	-174.9	-62.4	-171.9	161.6	0	0	110.3	N130 T131	E10-N130 CarbonylContact O-C 3.43Å; E10-N130 VanDerWaalsContact O-CA 3.29Å; E10-N130 WeakPolarHBondContact O-CA 3.42Å; E10-T131 PolarHBondContact N-O 3.33Å; E10-T131 PolarHBondContact O-N 2.83Å
11	P	96.4	Very high	93.3	Very high	87 Å²	87	63.4 Å²	63.4	57%	0.565	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.6	142.9	174.7	28.9	-34.5	0	0	0	110.4	A13	P11-A13 PolarHBondContact O-N 2.85Å
12	V	95.9	Very high	94.9	Very high	45 Å²	45	51.8 Å²	51.8	27%	0.273	32%	0.317	S	S	.	.	S	Bend	trans	-71.4	-10.8	-179.7	-58.9	0	0	0	0	113.7	L127 D129	V12-L127 HydrophobicContact CG2-CB 4.48Å; V12-L127 HydrophobicContact CG2-CD2 4.36Å; V12-D129 HydrophobicContact CG1-CB 4.22Å; V12-D129 HydrophobicContact CG2-CB 4.1Å; V12-D129 WeakPolarHBondContact CG2-O 3.46Å; V12-D129 PolarHBondContact N-O 2.89Å
13	A	95.8	Very high	95.7	Very high	7 Å²	7	52.4 Å²	52.4	6%	0.058	31%	0.314	C	S	.	.	S	Bend	trans	-151.4	163.1	-178.5	0	0	0	0	0	112	P11 F16 G100 I101 L127	P11-A13 PolarHBondContact O-N 2.85Å; A13-F16 HydrophobicContact CB-CE1 4.33Å; A13-G100 CarbonylContact C-O 3.5Å; A13-G100 WeakPolarHBondContact CA-O 3.19Å; A13-I101 HydrophobicContact CB-CG1 3.84Å; A13-L127 HydrophobicContact CB-CB 3.95Å; A13-L127 HydrophobicContact CB-CD1 4.32Å; A13-L127 HydrophobicContact CB-CD2 4.17Å; A13-L127 HydrophobicContact CB-CG 4.36Å
14	G	93.8	Very high	96.1	Very high	18 Å²	18	50.1 Å²	50.1	19%	0.186	29%	0.289	C	S	.	.			trans	-61.6	161.6	169.9	0	0	0	0	0	113.1	F16 L99 G100	G14-F16 WeakPolarHBondContact O-CD1 3.3Å; G14-F16 WeakPolarHBondContact O-CE1 3.24Å; G14-L99 PolarHBondContact N-O 3.28Å; G14-G100 PolarHBondContact N-O 3.17Å
15	S	94.5	Very high	96.4	Very high	111 Å²	111	51 Å²	51	78%	0.776	30%	0.296	S	S	*	.			trans	-81.7	118.5	172.4	-169	0	0	0	0	110
16	F	96.7	Very high	96.5	Very high	12 Å²	12	49.4 Å²	49.4	5%	0.053	29%	0.288	C	S	.	.			trans	-154.8	163.9	177.7	61.5	-96.8	0	0	0	111.3	A13 G14 V19 V72 L73 P74 L99 I121 R122 L127	A13-F16 HydrophobicContact CB-CE1 4.33Å; G14-F16 WeakPolarHBondContact O-CD1 3.3Å; G14-F16 WeakPolarHBondContact O-CE1 3.24Å; F16-V19 HydrophobicContact CD2-CB 4.22Å; F16-V19 HydrophobicContact CD2-CG2 3.77Å; F16-V19 HydrophobicContact CE2-CB 4.16Å; F16-V19 HydrophobicContact CE2-CG2 4.16Å; F16-V72 CarbonylContact C-O 3.51Å; F16-V72 WeakPolarHBondContact CA-O 3.39Å; F16-V72 WeakPolarHBondContact CB-O 3.48Å; F16-L73 HydrophobicContact CB-CD2 4.46Å; F16-P74 HydrophobicContact CB-CG 4.33Å; F16-P74 HydrophobicContact CD1-CG 4.12Å; F16-L99 HydrophobicContact CD1-CB 4.26Å; F16-L99 HydrophobicContact CD1-CD2 4.37Å; F16-L99 WeakPolarHBondContact CD1-O 3.28Å; F16-L99 HydrophobicContact CD2-CD2 4.23Å; F16-L99 HydrophobicContact CE1-CB 3.76Å; F16-L99 HydrophobicContact CE1-CD2 4.34Å; F16-L99 HydrophobicContact CE1-CG 4.46Å; F16-L99 WeakPolarHBondContact CE1-O 3.25Å; F16-L99 HydrophobicContact CE2-CD1 4.48Å; F16-L99 HydrophobicContact CE2-CD2 4.19Å; F16-L99 HydrophobicContact CG-CD2 4.32Å; F16-L99 HydrophobicContact CZ-CB 4.07Å; F16-L99 HydrophobicContact CZ-CD1 4.13Å; F16-L99 HydrophobicContact CZ-CD2 4.23Å; F16-L99 HydrophobicContact CZ-CG 4.37Å; F16-I121 HydrophobicContact CE2-CG2 3.49Å; F16-I121 VanDerWaalsContact CE2-CG2 3.49Å; F16-I121 HydrophobicContact CZ-CG2 3.98Å; F16-R122 HydrophobicContact CD2-CG 4.16Å; F16-R122 HydrophobicContact CE2-CG 3.35Å; F16-R122 HydrophobicContact CZ-CG 3.61Å; F16-R122 WeakPolarHBondContact O-CD 3.41Å; F16-L127 HydrophobicContact CE1-CD1 4.38Å; F16-L127 HydrophobicContact CZ-CD1 3.72Å
17	H	96.1	Very high	96.5	Very high	108 Å²	108	47.5 Å²	47.5	50%	0.5	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	162	174.2	71.5	79.4	0	0	0	112.2	A71 V72	H17-A71 VanDerWaalsContact O-CA 3.24Å; H17-A71 WeakPolarHBondContact O-CA 3.49Å; H17-A71 VanDerWaalsContact O-CB 3.3Å; H17-A71 WeakPolarHBondContact O-CB 3.46Å; H17-V72 PolarHBondContact N-O 2.88Å; H17-V72 WeakPolarHBondContact NE2-CG2 3.2Å; H17-V72 PolarHBondContact O-N 2.87Å
18	G	96.1	Very high	96.4	Very high	21 Å²	21	46.2 Å²	46.2	22%	0.216	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	80.5	20	176.8	0	0	0	0	0	114.5	T68 A71	G18-T68 PolarHBondContact O-N 2.8Å; G18-T68 VanDerWaalsContact O-N 3.13Å; G18-T68 PolarHBondContact O-OG1 2.98Å; G18-A71 WeakPolarHBondContact O-CB 3.16Å
19	V	97.8	Very high	96.4	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	122.7	177.1	-173.1	0	0	0	0	108.6	F16 A65 V66 A67 L73 L99 I121	F16-V19 HydrophobicContact CD2-CB 4.22Å; F16-V19 HydrophobicContact CD2-CG2 3.77Å; F16-V19 HydrophobicContact CE2-CB 4.16Å; F16-V19 HydrophobicContact CE2-CG2 4.16Å; V19-A65 HydrophobicContact CG1-CB 3.99Å; V19-V66 WeakPolarHBondContact CA-O 3.49Å; V19-A67 HydrophobicContact CG2-CB 3.95Å; V19-L73 HydrophobicContact CG2-CD2 3.6Å; V19-L99 HydrophobicContact CG1-CD1 4.36Å; V19-L99 HydrophobicContact CG1-CD2 4.3Å; V19-L99 HydrophobicContact CG2-CD2 4.03Å; V19-I121 HydrophobicContact CB-CB 4.48Å; V19-I121 HydrophobicContact CB-CG2 3.62Å; V19-I121 HydrophobicContact CG1-CB 4.13Å; V19-I121 HydrophobicContact CG1-CG2 3.6Å; V19-I121 WeakPolarHBondContact O-CG2 3.08Å; V19-I121 PolarHBondContact O-N 3.04Å
20	V	98.1	Very high	96.1	Very high	24 Å²	24	46.4 Å²	46.4	15%	0.145	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	159.3	-175	-61.9	0	0	0	0	111.3	G22 V43 V66 T68 T119	V20-G22 PolarHBondContact O-N 3.07Å; V20-V43 HydrophobicContact CG2-CB 3.97Å; V20-V43 HydrophobicContact CG2-CG1 4.08Å; V20-V66 HydrophobicContact CG2-CB 4.46Å; V20-V66 PolarHBondContact N-O 2.75Å; V20-V66 PolarHBondContact O-N 2.92Å; V20-T68 HydrophobicContact CG2-CG2 4Å; V20-T119 CarbonylContact C-O 3.59Å; V20-T119 VanDerWaalsContact CA-O 3.26Å; V20-T119 WeakPolarHBondContact CA-O 3.41Å
21	V	98.4	Very high	95.9	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	125	168.9	178.3	0	0	0	0	109	L111 A115 P116 G118 T119 I121 Y124	V21-L111 HydrophobicContact CB-CD1 4.42Å; V21-L111 HydrophobicContact CG1-CD1 4.03Å; V21-L111 HydrophobicContact CG2-CD1 3.99Å; V21-A115 HydrophobicContact CG1-CB 3.74Å; V21-P116 WeakPolarHBondContact CB-O 3.3Å; V21-G118 PolarHBondContact O-N 3.09Å; V21-T119 PolarHBondContact N-O 2.98Å; V21-I121 HydrophobicContact CG2-CD1 3.97Å; V21-Y124 HydrophobicContact CG2-CD1 4.09Å; V21-Y124 HydrophobicContact CG2-CG 4.11Å
22	G	97.9	Very high	95.7	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	170.2	173.5	0	0	0	0	0	112.7	V20 N42 R63 V64	V20-G22 PolarHBondContact O-N 3.07Å; G22-N42 CarbonylContact C-O 3.54Å; G22-N42 WeakPolarHBondContact CA-O 3.41Å; G22-R63 CarbonylContact O-C 3.54Å; G22-R63 VanDerWaalsContact O-CA 3.32Å; G22-R63 WeakPolarHBondContact O-CA 3.24Å; G22-V64 PolarHBondContact N-O 3.47Å; G22-V64 PolarHBondContact O-N 3.48Å
23	E	97.8	Very high	95.4	Very high	51 Å²	51	43 Å²	43	24%	0.238	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	132	175.6	167.4	-179.5	-165.7	0	0	112.2	V25 V41 N42 L62 R63 I117	E23-V25 HydrophobicContact CG-CG2 4.39Å; E23-V25 PolarHBondContact O-N 2.98Å; E23-V25 VanDerWaalsContact O-N 3.13Å; E23-V41 CarbonylContact O-C 3.54Å; E23-V41 VanDerWaalsContact O-CA 3.25Å; E23-V41 WeakPolarHBondContact O-CA 3.45Å; E23-N42 PolarHBondContact N-O 3.01Å; E23-N42 PolarHBondContact O-N 2.83Å; E23-L62 VanDerWaalsContact CA-O 3.28Å; E23-L62 WeakPolarHBondContact CA-O 3.42Å; E23-R63 VanDerWaalsContact CD-NH1 3.34Å; E23-R63 IonicContact OE2-CZ 3.2Å; E23-R63 IonicContact OE2-NH1 3.6Å; E23-R63 PolarHBondContact OE2-NH1 3.26Å; E23-R63 IonicContact OE2-NH2 2.77Å; E23-I117 HydrophobicContact CB-CD1 4.48Å
24	V	97.7	Very high	95.1	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	98.2	173.5	-176.6	0	0	0	0	108.8	E26 C27 T39 R59 Q60 G61 L62 V64 L93	V24-E26 WeakPolarHBondContact CG1-O 3.46Å; V24-C27 HydrophobicContact CG1-CB 3.93Å; V24-T39 HydrophobicContact CG1-CG2 4.08Å; V24-R59 WeakPolarHBondContact CB-O 3.15Å; V24-R59 WeakPolarHBondContact CG1-O 3.37Å; V24-Q60 CarbonylContact O-C 3.57Å; V24-Q60 WeakPolarHBondContact O-CA 3.19Å; V24-G61 PolarHBondContact O-N 2.9Å; V24-L62 HydrophobicContact CG2-CB 4.36Å; V24-L62 PolarHBondContact N-O 3.06Å; V24-V64 HydrophobicContact CG2-CG1 4.2Å; V24-V64 HydrophobicContact CG2-CG2 4.06Å; V24-L93 HydrophobicContact CG2-CD1 4.22Å
25	V	97.2	Very high	95	Very high	45 Å²	45	57.9 Å²	57.9	27%	0.273	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	-37.3	-178.9	-177.8	0	0	0	0	111.2	E23 K40 N42 L48 Q60	E23-V25 HydrophobicContact CG-CG2 4.39Å; E23-V25 PolarHBondContact O-N 2.98Å; E23-V25 VanDerWaalsContact O-N 3.13Å; V25-K40 PolarHBondContact N-O 3.18Å; V25-N42 HydrophobicContact CG2-CB 3.73Å; V25-L48 HydrophobicContact CB-CD1 4.38Å; V25-L48 HydrophobicContact CG1-CD1 4.34Å; V25-L48 HydrophobicContact CG2-CD2 3.98Å; V25-Q60 VanDerWaalsContact O-CG 3.25Å; V25-Q60 WeakPolarHBondContact O-CG 3.5Å; V25-Q60 PolarHBondContact O-NE2 2.93Å
26	E	96.2	Very high	95	Very high	101 Å²	101	54.5 Å²	54.5	47%	0.472	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	146.3	175.6	-62.5	-179.4	-176	0	0	109.9	V24 T39 K40	V24-E26 WeakPolarHBondContact CG1-O 3.46Å; E26-T39 CarbonylContact O-C 3.5Å; E26-T39 WeakPolarHBondContact O-CA 3.32Å; E26-T39 WeakPolarHBondContact O-CB 3.4Å; E26-K40 HydrophobicContact CB-CB 4.06Å; E26-K40 HydrophobicContact CB-CG 4.32Å; E26-K40 PolarHBondContact N-O 2.99Å; E26-K40 PolarHBondContact O-N 3.08Å; E26-K40 WeakPolarHBondContact OE2-CD 3.34Å
27	C	95.7	Very high	94.9	Very high	38 Å²	38	57.5 Å²	57.5	26%	0.257	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	109.5	177.8	-179	0	0	0	0	109.7	V24 T39	V24-C27 HydrophobicContact CG1-CB 3.93Å; C27-T39 HydrophobicContact CB-CG2 4.07Å
28	A	94.5	Very high	94.9	Very high	59 Å²	59	53.5 Å²	53.5	49%	0.488	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	156.4	-179.2	0	0	0	0	0	111.5	R37 V38	A28-R37 CarbonylContact O-C 3.54Å; A28-R37 WeakPolarHBondContact O-CA 3.15Å; A28-R37 WeakPolarHBondContact O-CB 3.11Å; A28-V38 PolarHBondContact N-O 3.2Å; A28-V38 PolarHBondContact O-N 3.4Å
29	Q	94	Very high	94.9	Very high	107 Å²	107	52.5 Å²	52.5	50%	0.5	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	136.2	173.4	-173.9	64.7	44.9	0	0	110.4	A33 D34 L36	Q29-A33 PolarHBondContact NE2-O 2.69Å; Q29-D34 PolarHBondContact NE2-O 3.22Å; Q29-L36 PolarHBondContact NE2-O 3.27Å
30	H	92.7	Very high	94.9	Very high	4 Å²	4	55.7 Å²	55.7	2%	0.019	29%	0.291	C	S	.	.			trans	-68.4	129.6	177.9	-173.6	-62.6	0	0	0	111	N32 A33 L36 V38 L84 R85 E87	H30-N32 VanDerWaalsContact C-N 3.27Å; H30-N32 PolarHBondContact ND1-N 2.76Å; H30-N32 PolarHBondContact O-N 2.96Å; H30-A33 HydrophobicContact CB-CB 4.14Å; H30-A33 PolarHBondContact ND1-N 3.21Å; H30-A33 PolarHBondContact O-N 2.7Å; H30-L36 HydrophobicContact CB-CB 3.79Å; H30-L36 WeakPolarHBondContact CB-O 3.33Å; H30-L36 PolarHBondContact N-O 2.94Å; H30-V38 HydrophobicContact CB-CG2 4.04Å; H30-L84 PolarHBondContact NE2-O 2.87Å; H30-R85 PolarHBondContact CE1-O 2.99Å; H30-E87 VanDerWaalsContact NE2-CG 3.33Å; H30-E87 WeakPolarHBondContact NE2-CG 3.1Å
31	P	91.6	Very high	94.9	Very high	90 Å²	90	54.5 Å²	54.5	58%	0.584	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-32.4	-171.9	22.8	-33.8	0	0	0	113.6	E87	P31-E87 HydrophobicContact CG-CG 4.29Å; P31-E87 WeakPolarHBondContact CG-OE1 3.5Å
32	N	90.7	Very high	94.9	Very high	102 Å²	102	56.5 Å²	56.5	55%	0.545	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.9	15.1	-178.7	-51.9	-49	0	0	0	114.3	H30 R85	H30-N32 VanDerWaalsContact C-N 3.27Å; H30-N32 PolarHBondContact ND1-N 2.76Å; H30-N32 PolarHBondContact O-N 2.96Å; N32-R85 HydrophobicContact CB-CB 4.33Å; N32-R85 PolarHBondContact ND2-O 3.49Å; N32-R85 PolarHBondContact O-NH1 2.96Å
33	A	90.8	Very high	94.8	Very high	4 Å²	4	57.5 Å²	57.5	3%	0.033	30%	0.3	C	S	.	.			trans	-157.4	122.1	-177.7	0	0	0	0	0	114	Q29 H30 K35 L36 R85	Q29-A33 PolarHBondContact NE2-O 2.69Å; H30-A33 HydrophobicContact CB-CB 4.14Å; H30-A33 PolarHBondContact ND1-N 3.21Å; H30-A33 PolarHBondContact O-N 2.7Å; A33-K35 VanDerWaalsContact C-N 3.3Å; A33-K35 PolarHBondContact O-N 2.93Å; A33-L36 HydrophobicContact CB-CB 3.91Å; A33-L36 HydrophobicContact CB-CD1 3.86Å; A33-L36 HydrophobicContact CB-CG 3.93Å; A33-L36 PolarHBondContact O-N 3.2Å; A33-R85 VanDerWaalsContact CB-NH1 3.34Å
34	D	89.6	Confident	94.6	Very high	153 Å²	153	57.6 Å²	57.6	82%	0.818	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-24.8	-179.6	-54	-35.1	0	0	0	113.6	Q29	Q29-D34 PolarHBondContact NE2-O 3.22Å
35	K	91.5	Very high	94.3	Very high	186 Å²	186	59.9 Å²	59.9	81%	0.809	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.4	0.6	-177.3	-63.2	-170.7	179.1	-174.4	0	114.4	A33 G54	A33-K35 VanDerWaalsContact C-N 3.3Å; A33-K35 PolarHBondContact O-N 2.93Å; K35-G54 WeakPolarHBondContact O-CA 3.4Å
36	L	94.6	Very high	93.9	Very high	40 Å²	40	66.5 Å²	66.5	21%	0.209	37%	0.373	C	S	.	.			trans	-117.5	149	-178.4	-58.6	177.9	0	0	0	110.1	Q29 H30 A33 V52	Q29-L36 PolarHBondContact NE2-O 3.27Å; H30-L36 HydrophobicContact CB-CB 3.79Å; H30-L36 WeakPolarHBondContact CB-O 3.33Å; H30-L36 PolarHBondContact N-O 2.94Å; A33-L36 HydrophobicContact CB-CB 3.91Å; A33-L36 HydrophobicContact CB-CD1 3.86Å; A33-L36 HydrophobicContact CB-CG 3.93Å; A33-L36 PolarHBondContact O-N 3.2Å; L36-V52 HydrophobicContact CB-CG1 3.9Å; L36-V52 HydrophobicContact CD1-CG1 3.98Å; L36-V52 HydrophobicContact CD2-CG1 4.42Å; L36-V52 HydrophobicContact CG-CG1 4.32Å
37	R	94.5	Very high	93.8	Very high	74 Å²	74	67.9 Å²	67.9	28%	0.279	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	142.1	173.7	-63.1	176.2	-177.4	148.7	6.8	108.2	A28 T39 V52 C53 A55 P56 C58	A28-R37 CarbonylContact O-C 3.54Å; A28-R37 WeakPolarHBondContact O-CA 3.15Å; A28-R37 WeakPolarHBondContact O-CB 3.11Å; R37-T39 HydrophobicContact CB-CG2 4.49Å; R37-V52 CarbonylContact O-C 3.5Å; R37-V52 VanDerWaalsContact O-CA 3.32Å; R37-V52 WeakPolarHBondContact O-CA 3.1Å; R37-C53 PolarHBondContact N-O 2.87Å; R37-C53 PolarHBondContact O-N 2.93Å; R37-A55 PolarHBondContact NH1-O 2.76Å; R37-P56 PolarHBondContact NH1-O 3.23Å; R37-P56 PolarHBondContact NH2-O 2.89Å; R37-C58 PolarHBondContact NH1-O 3.36Å
38	V	95.7	Very high	93.8	Very high	24 Å²	24	68.9 Å²	68.9	15%	0.145	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	121.2	170.8	-178.5	0	0	0	0	106.4	A28 H30 V52 E87	A28-V38 PolarHBondContact N-O 3.2Å; A28-V38 PolarHBondContact O-N 3.4Å; H30-V38 HydrophobicContact CB-CG2 4.04Å; V38-V52 HydrophobicContact CG2-CG2 4.37Å; V38-E87 HydrophobicContact CG2-CB 4.18Å; V38-E87 HydrophobicContact CG2-CG 3.86Å
39	T	97.1	Very high	93.9	Very high	0 Å²	0	67.1 Å²	67.1	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	147.5	-178	66.4	0	0	0	0	111.5	V24 E26 C27 R37 V41 D50 I51	V24-T39 HydrophobicContact CG1-CG2 4.08Å; E26-T39 CarbonylContact O-C 3.5Å; E26-T39 WeakPolarHBondContact O-CA 3.32Å; E26-T39 WeakPolarHBondContact O-CB 3.4Å; C27-T39 HydrophobicContact CB-CG2 4.07Å; R37-T39 HydrophobicContact CB-CG2 4.49Å; T39-V41 WeakPolarHBondContact OG1-CG2 3.36Å; T39-D50 WeakPolarHBondContact O-CA 3.26Å; T39-I51 PolarHBondContact N-O 2.92Å; T39-I51 PolarHBondContact O-N 3.13Å; T39-I51 PolarHBondContact OG1-O 2.94Å
40	K	97	Very high	94	Very high	67 Å²	67	63.9 Å²	63.9	29%	0.291	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	122.1	164.6	-66	-166.6	177	-68.7	0	108.5	V25 E26 L48 L49 D50	V25-K40 PolarHBondContact N-O 3.18Å; E26-K40 HydrophobicContact CB-CB 4.06Å; E26-K40 HydrophobicContact CB-CG 4.32Å; E26-K40 PolarHBondContact N-O 2.99Å; E26-K40 PolarHBondContact O-N 3.08Å; E26-K40 WeakPolarHBondContact OE2-CD 3.34Å; K40-L48 HydrophobicContact CB-CB 4.24Å; K40-L48 HydrophobicContact CB-CD1 4.05Å; K40-L48 HydrophobicContact CD-CD1 4.18Å; K40-L49 WeakPolarHBondContact CA-O 3.43Å; K40-D50 IonicContact NZ-OD1 2.73Å; K40-D50 PolarHBondContact NZ-OD1 3.44Å; K40-D50 IonicContact NZ-OD2 3.57Å
41	V	97.7	Very high	94.3	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	124.5	-171.6	-171.5	0	0	0	0	110.1	E23 T39 V43 L49 I51 V66 L93	E23-V41 CarbonylContact O-C 3.54Å; E23-V41 VanDerWaalsContact O-CA 3.25Å; E23-V41 WeakPolarHBondContact O-CA 3.45Å; T39-V41 WeakPolarHBondContact OG1-CG2 3.36Å; V41-V43 HydrophobicContact CG1-CG1 4.24Å; V41-L49 PolarHBondContact N-O 2.84Å; V41-L49 PolarHBondContact O-N 2.94Å; V41-I51 HydrophobicContact CB-CD1 4.17Å; V41-I51 HydrophobicContact CG2-CB 4.26Å; V41-I51 HydrophobicContact CG2-CD1 4.07Å; V41-I51 HydrophobicContact CG2-CG1 4.36Å; V41-V66 HydrophobicContact CG1-CG2 3.65Å; V41-L93 HydrophobicContact CG1-CD2 4.41Å; V41-L93 HydrophobicContact CG2-CD2 4.19Å
42	N	97.8	Very high	94.5	Very high	41 Å²	41	60 Å²	60	22%	0.219	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	119.1	172.8	-176.8	7.2	0	0	0	109.5	G22 E23 V25 G44 L48 I117	G22-N42 CarbonylContact C-O 3.54Å; G22-N42 WeakPolarHBondContact CA-O 3.41Å; E23-N42 PolarHBondContact N-O 3.01Å; E23-N42 PolarHBondContact O-N 2.83Å; V25-N42 HydrophobicContact CG2-CB 3.73Å; N42-G44 PolarHBondContact OD1-N 3.13Å; N42-L48 HydrophobicContact CB-CD2 3.59Å; N42-I117 WeakPolarHBondContact O-CG2 3.17Å
43	V	96.7	Very high	94.7	Very high	21 Å²	21	55.6 Å²	55.6	13%	0.127	30%	0.296	C	S	.	.			trans	-114	15.5	176	-62.2	0	0	0	0	112.6	V20 V41 G45 L49 V66 I117 G118	V20-V43 HydrophobicContact CG2-CB 3.97Å; V20-V43 HydrophobicContact CG2-CG1 4.08Å; V41-V43 HydrophobicContact CG1-CG1 4.24Å; V43-G45 VanDerWaalsContact C-N 3.34Å; V43-L49 HydrophobicContact CG1-CD1 4.02Å; V43-L49 HydrophobicContact CG2-CD1 3.68Å; V43-L49 HydrophobicContact CG2-CG 4.06Å; V43-V66 HydrophobicContact CG1-CB 3.97Å; V43-V66 HydrophobicContact CG1-CG1 3.86Å; V43-V66 HydrophobicContact CG1-CG2 4.04Å; V43-I117 VanDerWaalsContact C-CG2 3.44Å; V43-G118 VanDerWaalsContact O-CA 3.24Å; V43-G118 WeakPolarHBondContact O-CA 3.44Å
44	G	94.1	Very high	94.8	Very high	54 Å²	54	57.7 Å²	57.7	56%	0.557	32%	0.319	S	S	*	.	S	Bend	trans	84.7	4.3	178.1	0	0	0	0	0	114.6	N42 I117	N42-G44 PolarHBondContact OD1-N 3.13Å; G44-I117 VanDerWaalsContact N-CG2 3.27Å
45	G	91.1	Very high	95.1	Very high	48 Å²	48	51.2 Å²	51.2	50%	0.495	29%	0.287	S	S	.	.	S	Bend	trans	-86	-177.8	171.6	0	0	0	0	0	113.5	V43 R47	V43-G45 VanDerWaalsContact C-N 3.34Å; G45-R47 PolarHBondContact O-N 3.08Å
46	D	88.6	Confident	95.2	Very high	184 Å²	184	46.9 Å²	46.9	98%	0.984	28%	0.277	S	S	*	.	S	Bend	trans	-67.4	-17.2	-176.8	-61.9	-38.4	0	0	0	114.5
47	R	93.8	Very high	95.3	Very high	130 Å²	130	46.8 Å²	46.8	49%	0.491	28%	0.277	S	S	.	.	S	Bend	trans	-139.6	154.7	-177.4	69.5	-178.3	-174.8	88.5	-6	111.6	G45 E90	G45-R47 PolarHBondContact O-N 3.08Å; R47-E90 IonicContact CZ-OE1 2.6Å; R47-E90 IonicContact CZ-OE2 3.44Å; R47-E90 VanDerWaalsContact NH1-CD 3.32Å; R47-E90 IonicContact NH1-OE1 2.87Å; R47-E90 PolarHBondContact NH1-OE1 3.41Å; R47-E90 IonicContact NH1-OE2 2.66Å; R47-E90 PolarHBondContact NH1-OE2 3.42Å; R47-E90 IonicContact NH2-OE1 3.89Å; R47-E90 PolarHBondContact NH2-OE1 2.85Å; R47-E90 IonicContact NH2-OE2 2.67Å
48	L	96.3	Very high	95.3	Very high	59 Å²	59	43.3 Å²	43.3	31%	0.309	26%	0.264	S	S	.	.	P	Polyproline II helix	trans	-70.6	141.6	167.1	-56.6	179.4	0	0	0	109.5	V25 K40 N42	V25-L48 HydrophobicContact CB-CD1 4.38Å; V25-L48 HydrophobicContact CG1-CD1 4.34Å; V25-L48 HydrophobicContact CG2-CD2 3.98Å; K40-L48 HydrophobicContact CB-CB 4.24Å; K40-L48 HydrophobicContact CB-CD1 4.05Å; K40-L48 HydrophobicContact CD-CD1 4.18Å; N42-L48 HydrophobicContact CB-CD2 3.59Å
49	L	96.6	Very high	95.3	Very high	21 Å²	21	48 Å²	48	11%	0.11	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	135.5	173.4	-58.6	-176.6	0	0	0	109.4	K40 V41 V43 I51 E90	K40-L49 WeakPolarHBondContact CA-O 3.43Å; V41-L49 PolarHBondContact N-O 2.84Å; V41-L49 PolarHBondContact O-N 2.94Å; V43-L49 HydrophobicContact CG1-CD1 4.02Å; V43-L49 HydrophobicContact CG2-CD1 3.68Å; V43-L49 HydrophobicContact CG2-CG 4.06Å; L49-I51 HydrophobicContact CB-CD1 4.28Å; L49-I51 HydrophobicContact CB-CG1 4.19Å; L49-E90 HydrophobicContact CB-CB 4.46Å
50	D	96.6	Very high	95.3	Very high	39 Å²	39	54.3 Å²	54.3	21%	0.209	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	118.2	169.5	-68	-51.8	0	0	0	108.6	T39 K40 P88 S89 E90	T39-D50 WeakPolarHBondContact O-CA 3.26Å; K40-D50 IonicContact NZ-OD1 2.73Å; K40-D50 PolarHBondContact NZ-OD1 3.44Å; K40-D50 IonicContact NZ-OD2 3.57Å; D50-P88 HydrophobicContact CB-CG 4.07Å; D50-S89 CarbonylContact O-C 3.55Å; D50-S89 WeakPolarHBondContact O-CA 3.21Å; D50-E90 PolarHBondContact N-OE2 2.84Å; D50-E90 PolarHBondContact O-N 2.91Å
51	I	96.9	Very high	95.2	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	131.9	-178.6	-59.7	-179	0	0	0	109	T39 V41 L49 V66 L93	T39-I51 PolarHBondContact N-O 2.92Å; T39-I51 PolarHBondContact O-N 3.13Å; T39-I51 PolarHBondContact OG1-O 2.94Å; V41-I51 HydrophobicContact CB-CD1 4.17Å; V41-I51 HydrophobicContact CG2-CB 4.26Å; V41-I51 HydrophobicContact CG2-CD1 4.07Å; V41-I51 HydrophobicContact CG2-CG1 4.36Å; L49-I51 HydrophobicContact CB-CD1 4.28Å; L49-I51 HydrophobicContact CB-CG1 4.19Å; I51-V66 HydrophobicContact CD1-CG1 3.55Å; I51-L93 HydrophobicContact CD1-CD2 4.25Å; I51-L93 HydrophobicContact CG2-CD2 4.47Å; I51-L93 HydrophobicContact CG2-CG 4.11Å
52	V	96.1	Very high	95.2	Very high	13 Å²	13	53.9 Å²	53.9	8%	0.079	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	122.9	174.3	178.7	0	0	0	0	108.8	L36 R37 V38 L84 E87 S89	L36-V52 HydrophobicContact CB-CG1 3.9Å; L36-V52 HydrophobicContact CD1-CG1 3.98Å; L36-V52 HydrophobicContact CD2-CG1 4.42Å; L36-V52 HydrophobicContact CG-CG1 4.32Å; R37-V52 CarbonylContact O-C 3.5Å; R37-V52 VanDerWaalsContact O-CA 3.32Å; R37-V52 WeakPolarHBondContact O-CA 3.1Å; V38-V52 HydrophobicContact CG2-CG2 4.37Å; V52-L84 HydrophobicContact CB-CB 4.32Å; V52-L84 HydrophobicContact CB-CD1 3.88Å; V52-L84 HydrophobicContact CG1-CB 4.26Å; V52-L84 HydrophobicContact CG1-CD1 4.1Å; V52-L84 HydrophobicContact CG2-CB 4.35Å; V52-E87 HydrophobicContact CG2-CB 3.99Å; V52-S89 PolarHBondContact N-OG 3.28Å; V52-S89 VanDerWaalsContact N-OG 3.08Å
53	C	95.3	Very high	95.2	Very high	9 Å²	9	54 Å²	54	6%	0.061	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	134.6	-177.7	-175.7	0	0	0	0	111.3	R37 A55 C58 L93	R37-C53 PolarHBondContact N-O 2.87Å; R37-C53 PolarHBondContact O-N 2.93Å; C53-A55 PolarHBondContact SG-N 2.96Å; C53-A55 VanDerWaalsContact SG-N 3.38Å; C53-C58 HydrophobicContact CB-CB 4.46Å; C53-L93 HydrophobicContact CB-CD1 3.93Å; C53-L93 HydrophobicContact CB-CG 4.43Å
54	G	94.2	Very high	95.3	Very high	49 Å²	49	53 Å²	53	51%	0.505	31%	0.312	S	S	.	.			trans	-99.9	-0.8	175.5	0	0	0	0	0	114.7	K35	K35-G54 WeakPolarHBondContact O-CA 3.4Å
55	A	95.1	Very high	95.4	Very high	17 Å²	17	50.4 Å²	50.4	14%	0.14	29%	0.285	C	S	.	.			trans	-72.3	136.9	-172.8	0	0	0	0	0	112	R37 C53 N57 C58 I108	R37-A55 PolarHBondContact NH1-O 2.76Å; C53-A55 PolarHBondContact SG-N 2.96Å; C53-A55 VanDerWaalsContact SG-N 3.38Å; A55-N57 VanDerWaalsContact C-N 3.26Å; A55-N57 PolarHBondContact O-N 2.84Å; A55-C58 WeakPolarHBondContact O-CB 3.24Å; A55-C58 PolarHBondContact O-N 3.33Å; A55-I108 HydrophobicContact CB-CB 4.38Å; A55-I108 HydrophobicContact CB-CG1 4.31Å; A55-I108 HydrophobicContact CB-CG2 3.64Å
56	P	93.7	Very high	95.8	Very high	94 Å²	94	48.1 Å²	48.1	61%	0.61	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-30.5	-173.1	25.9	-34.6	0	0	0	112.9	R37 S106	R37-P56 PolarHBondContact NH1-O 3.23Å; R37-P56 PolarHBondContact NH2-O 2.89Å; P56-S106 WeakPolarHBondContact CG-O 3.29Å
57	N	95.8	Very high	96.2	Very high	38 Å²	38	39.3 Å²	39.3	20%	0.203	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-6.7	-177.6	68.5	-41	0	0	0	114.7	A55 R59 L62 G107 I108 E110	A55-N57 VanDerWaalsContact C-N 3.26Å; A55-N57 PolarHBondContact O-N 2.84Å; N57-R59 PolarHBondContact O-N 2.82Å; N57-R59 PolarHBondContact O-NH1 3.38Å; N57-L62 WeakPolarHBondContact O-CD1 3.24Å; N57-G107 VanDerWaalsContact OD1-CA 3.32Å; N57-G107 WeakPolarHBondContact OD1-CA 3.45Å; N57-I108 PolarHBondContact ND2-O 3.21Å; N57-I108 WeakPolarHBondContact OD1-CG1 3.06Å; N57-I108 PolarHBondContact OD1-N 3.26Å; N57-I108 VanDerWaalsContact OD1-N 3.08Å; N57-E110 WeakPolarHBondContact CB-OE1 3.25Å; N57-E110 PolarHBondContact ND2-OE1 2.81Å
58	C	95.4	Very high	96.3	Very high	2 Å²	2	35 Å²	35	1%	0.014	20%	0.203	C	C	.	.			trans	-63.8	114.5	-176.4	-173	0	0	0	0	112.5	R37 C53 A55 I108	R37-C58 PolarHBondContact NH1-O 3.36Å; C53-C58 HydrophobicContact CB-CB 4.46Å; A55-C58 WeakPolarHBondContact O-CB 3.24Å; A55-C58 PolarHBondContact O-N 3.33Å; C58-I108 HydrophobicContact CB-CD1 3.89Å
59	R	95.6	Very high	96.3	Very high	121 Å²	121	36.2 Å²	36.2	46%	0.457	21%	0.209	S	C	.	.			trans	-145.3	161.1	-178.2	65.9	-171.3	-179.4	-81.1	2.6	110.7	V24 N57 L62 E110	V24-R59 WeakPolarHBondContact CB-O 3.15Å; V24-R59 WeakPolarHBondContact CG1-O 3.37Å; N57-R59 PolarHBondContact O-N 2.82Å; N57-R59 PolarHBondContact O-NH1 3.38Å; R59-L62 HydrophobicContact CG-CD1 3.8Å; R59-L62 HydrophobicContact CG-CD2 4.42Å; R59-L62 HydrophobicContact CG-CG 3.7Å; R59-L62 VanDerWaalsContact CZ-CD2 3.42Å; R59-L62 VanDerWaalsContact NH2-CD2 3.34Å; R59-E110 IonicContact CZ-OE1 3.13Å; R59-E110 IonicContact CZ-OE2 2.72Å; R59-E110 IonicContact NH1-OE1 3.97Å; R59-E110 PolarHBondContact NH1-OE1 3.03Å; R59-E110 IonicContact NH1-OE2 2.9Å; R59-E110 PolarHBondContact NH1-OE2 3.49Å; R59-E110 VanDerWaalsContact NH1-OE2 3.16Å; R59-E110 IonicContact NH2-OE1 2.91Å; R59-E110 IonicContact NH2-OE2 3.76Å; R59-E110 PolarHBondContact NH2-OE2 2.84Å
60	Q	96.7	Very high	96.3	Very high	134 Å²	134	37.5 Å²	37.5	63%	0.626	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.6	142.1	174.6	178.1	173.1	3.3	0	0	111.6	V24 V25	V24-Q60 CarbonylContact O-C 3.57Å; V24-Q60 WeakPolarHBondContact O-CA 3.19Å; V25-Q60 VanDerWaalsContact O-CG 3.25Å; V25-Q60 WeakPolarHBondContact O-CG 3.5Å; V25-Q60 PolarHBondContact O-NE2 2.93Å
61	G	95.7	Very high	96.3	Very high	47 Å²	47	35.6 Å²	35.6	49%	0.485	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.2	-1.2	178.4	0	0	0	0	0	115	V24	V24-G61 PolarHBondContact O-N 2.9Å
62	L	97.2	Very high	96.3	Very high	11 Å²	11	36.7 Å²	36.7	6%	0.058	22%	0.223	C	C	.	.			trans	-75.8	134.6	177.2	-77.8	-176.8	0	0	0	112.3	E23 V24 N57 R59 V64 I108 E110	E23-L62 VanDerWaalsContact CA-O 3.28Å; E23-L62 WeakPolarHBondContact CA-O 3.42Å; V24-L62 HydrophobicContact CG2-CB 4.36Å; V24-L62 PolarHBondContact N-O 3.06Å; N57-L62 WeakPolarHBondContact O-CD1 3.24Å; R59-L62 HydrophobicContact CG-CD1 3.8Å; R59-L62 HydrophobicContact CG-CD2 4.42Å; R59-L62 HydrophobicContact CG-CG 3.7Å; R59-L62 VanDerWaalsContact CZ-CD2 3.42Å; R59-L62 VanDerWaalsContact NH2-CD2 3.34Å; L62-V64 HydrophobicContact CB-CG1 3.74Å; L62-V64 HydrophobicContact CD1-CG1 4.41Å; L62-I108 HydrophobicContact CD1-CD1 4.44Å; L62-E110 HydrophobicContact CD1-CG 4.09Å; L62-E110 HydrophobicContact CD2-CB 4.36Å; L62-E110 HydrophobicContact CD2-CG 3.87Å; L62-E110 WeakPolarHBondContact CD2-OE2 3.32Å
63	R	97.8	Very high	96.3	Very high	42 Å²	42	36.3 Å²	36.3	16%	0.158	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	127.6	159	-65.5	-78.1	-170.9	-135.5	-5.4	108.7	G22 E23 L111 P112 A113 A115	G22-R63 CarbonylContact O-C 3.54Å; G22-R63 VanDerWaalsContact O-CA 3.32Å; G22-R63 WeakPolarHBondContact O-CA 3.24Å; E23-R63 VanDerWaalsContact CD-NH1 3.34Å; E23-R63 IonicContact OE2-CZ 3.2Å; E23-R63 IonicContact OE2-NH1 3.6Å; E23-R63 PolarHBondContact OE2-NH1 3.26Å; E23-R63 IonicContact OE2-NH2 2.77Å; R63-L111 HydrophobicContact CB-CB 3.76Å; R63-L111 PolarHBondContact O-N 3.18Å; R63-P112 WeakPolarHBondContact CG-O 3.39Å; R63-A113 PolarHBondContact NE-O 3.28Å; R63-A115 HydrophobicContact CB-CB 4.15Å; R63-A115 WeakPolarHBondContact CD-O 3.45Å; R63-A115 HydrophobicContact CG-CB 4.19Å; R63-A115 PolarHBondContact NE-O 3.11Å; R63-A115 VanDerWaalsContact NE-O 3.11Å
64	V	97.9	Very high	96.2	Very high	0 Å²	0	38 Å²	38	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	159.6	-170.4	-60.4	0	0	0	0	110.9	G22 V24 L62 V66 L93 I108 I109	G22-V64 PolarHBondContact N-O 3.47Å; G22-V64 PolarHBondContact O-N 3.48Å; V24-V64 HydrophobicContact CG2-CG1 4.2Å; V24-V64 HydrophobicContact CG2-CG2 4.06Å; L62-V64 HydrophobicContact CB-CG1 3.74Å; L62-V64 HydrophobicContact CD1-CG1 4.41Å; V64-V66 HydrophobicContact CG2-CG2 3.85Å; V64-L93 HydrophobicContact CG2-CD1 4.46Å; V64-L93 HydrophobicContact CG2-CD2 3.75Å; V64-I108 HydrophobicContact CB-CD1 4.46Å; V64-I108 HydrophobicContact CG1-CD1 3.68Å; V64-I108 HydrophobicContact CG1-CG1 4.35Å; V64-I109 WeakPolarHBondContact CA-O 3.45Å
65	A	97.9	Very high	96.2	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	124.7	169	0	0	0	0	0	110.1	V19 C94 L99 I109 I121	V19-A65 HydrophobicContact CG1-CB 3.99Å; A65-C94 HydrophobicContact CB-CB 4.27Å; A65-C94 PolarHBondContact O-N 3.13Å; A65-L99 HydrophobicContact CB-CD1 4.2Å; A65-I109 HydrophobicContact CB-CB 4.5Å; A65-I109 HydrophobicContact CB-CD1 4.02Å; A65-I121 HydrophobicContact CB-CD1 4.07Å; A65-I121 HydrophobicContact CB-CG1 4.03Å
66	V	98	Very high	96	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	113.2	-175.9	-171.3	0	0	0	0	109.7	V19 V20 V41 V43 I51 V64 T68 L93	V19-V66 WeakPolarHBondContact CA-O 3.49Å; V20-V66 HydrophobicContact CG2-CB 4.46Å; V20-V66 PolarHBondContact N-O 2.75Å; V20-V66 PolarHBondContact O-N 2.92Å; V41-V66 HydrophobicContact CG1-CG2 3.65Å; V43-V66 HydrophobicContact CG1-CB 3.97Å; V43-V66 HydrophobicContact CG1-CG1 3.86Å; V43-V66 HydrophobicContact CG1-CG2 4.04Å; I51-V66 HydrophobicContact CD1-CG1 3.55Å; V64-V66 HydrophobicContact CG2-CG2 3.85Å; V66-T68 PolarHBondContact O-N 3.05Å; V66-L93 HydrophobicContact CB-CD2 4.41Å; V66-L93 HydrophobicContact CG1-CD2 4.27Å; V66-L93 HydrophobicContact CG2-CD2 3.76Å
67	A	97.8	Very high	96	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	114.6	168.4	0	0	0	0	0	109.4	V19 A71 L73 I79 G91 M92	V19-A67 HydrophobicContact CG2-CB 3.95Å; A67-A71 HydrophobicContact CB-CB 3.96Å; A67-L73 HydrophobicContact CB-CD2 4Å; A67-I79 HydrophobicContact CB-CD1 4.33Å; A67-I79 HydrophobicContact CB-CG1 3.74Å; A67-G91 CarbonylContact O-C 3.58Å; A67-G91 WeakPolarHBondContact O-CA 3.36Å; A67-M92 HydrophobicContact CB-CB 4.42Å; A67-M92 PolarHBondContact N-O 2.95Å; A67-M92 PolarHBondContact O-N 2.8Å
68	T	96.4	Very high	96	Very high	38 Å²	38	50.9 Å²	50.9	23%	0.233	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	165.8	-178.2	59	0	0	0	0	111.5	G18 V20 V66 G70 A71 I79	G18-T68 PolarHBondContact O-N 2.8Å; G18-T68 VanDerWaalsContact O-N 3.13Å; G18-T68 PolarHBondContact O-OG1 2.98Å; V20-T68 HydrophobicContact CG2-CG2 4Å; V66-T68 PolarHBondContact O-N 3.05Å; T68-G70 PolarHBondContact O-N 3.5Å; T68-A71 WeakPolarHBondContact O-CB 3.22Å; T68-A71 PolarHBondContact O-N 3.37Å; T68-I79 WeakPolarHBondContact O-CB 3.45Å; T68-I79 WeakPolarHBondContact O-CG2 3.4Å
69	I	95.9	Very high	96	Very high	86 Å²	86	51.2 Å²	51.2	44%	0.441	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.1	126.9	174	-65.9	161.2	0	0	0	109.7	A81 E90	I69-A81 HydrophobicContact CD1-CB 3.88Å; I69-A81 HydrophobicContact CG1-CB 4.39Å; I69-E90 HydrophobicContact CD1-CB 4.01Å; I69-E90 WeakPolarHBondContact CG1-O 2.86Å
70	G	95.4	Very high	96	Very high	47 Å²	47	53 Å²	53	49%	0.485	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	93.7	-8.3	-175.6	0	0	0	0	0	114.3	T68 I79	T68-G70 PolarHBondContact O-N 3.5Å; G70-I79 PolarHBondContact N-O 2.85Å
71	A	96.8	Very high	95.8	Very high	0 Å²	0	50 Å²	50	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	148.7	168.7	0	0	0	0	0	111	H17 G18 A67 T68 K78 I79	H17-A71 VanDerWaalsContact O-CA 3.24Å; H17-A71 WeakPolarHBondContact O-CA 3.49Å; H17-A71 VanDerWaalsContact O-CB 3.3Å; H17-A71 WeakPolarHBondContact O-CB 3.46Å; G18-A71 WeakPolarHBondContact O-CB 3.16Å; A67-A71 HydrophobicContact CB-CB 3.96Å; T68-A71 WeakPolarHBondContact O-CB 3.22Å; T68-A71 PolarHBondContact O-N 3.37Å; A71-K78 CarbonylContact O-C 3.52Å; A71-K78 WeakPolarHBondContact O-CA 3.37Å; A71-I79 HydrophobicContact CB-CB 4.21Å; A71-I79 HydrophobicContact CB-CG1 3.95Å; A71-I79 PolarHBondContact O-N 2.78Å
72	V	97.2	Very high	95.7	Very high	22 Å²	22	50 Å²	50	13%	0.133	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	116.7	175.4	-175.3	0	0	0	0	107.4	F16 H17 F77 K78	F16-V72 CarbonylContact C-O 3.51Å; F16-V72 WeakPolarHBondContact CA-O 3.39Å; F16-V72 WeakPolarHBondContact CB-O 3.48Å; H17-V72 PolarHBondContact N-O 2.88Å; H17-V72 WeakPolarHBondContact NE2-CG2 3.2Å; H17-V72 PolarHBondContact O-N 2.87Å; V72-F77 WeakPolarHBondContact CA-O 3.44Å; V72-K78 HydrophobicContact CG1-CG 4.43Å; V72-K78 HydrophobicContact CG2-CD 4.35Å; V72-K78 HydrophobicContact CG2-CG 3.95Å
73	L	96	Very high	95.5	Very high	6 Å²	6	57.6 Å²	57.6	3%	0.031	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	166.5	177.6	-55.2	-173.8	0	0	0	110.5	F16 V19 A67 D76 F77 I79 M92 L99	F16-L73 HydrophobicContact CB-CD2 4.46Å; V19-L73 HydrophobicContact CG2-CD2 3.6Å; A67-L73 HydrophobicContact CB-CD2 4Å; L73-D76 PolarHBondContact O-N 3.26Å; L73-F77 HydrophobicContact CB-CB 4.25Å; L73-F77 HydrophobicContact CB-CD1 4.42Å; L73-F77 HydrophobicContact CD1-CD1 4.11Å; L73-F77 HydrophobicContact CG-CD1 4.42Å; L73-F77 PolarHBondContact N-O 2.92Å; L73-F77 PolarHBondContact O-N 3.29Å; L73-I79 HydrophobicContact CD1-CD1 4.03Å; L73-I79 HydrophobicContact CG-CD1 4.34Å; L73-I79 HydrophobicContact CG-CG1 4.45Å; L73-M92 HydrophobicContact CD1-SD 4.27Å; L73-L99 HydrophobicContact CD2-CD2 3.79Å
74	P	94.3	Very high	95.2	Very high	43 Å²	43	59.2 Å²	59.2	28%	0.279	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	141.4	178.2	-23.5	36.6	0	0	0	111.9	F16 E98	F16-P74 HydrophobicContact CB-CG 4.33Å; F16-P74 HydrophobicContact CD1-CG 4.12Å; P74-E98 WeakPolarHBondContact CD-O 3.21Å
75	G	92.9	Very high	94.8	Very high	79 Å²	79	66.8 Å²	66.8	81%	0.814	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.4	24.7	-172.6	0	0	0	0	0	114.6	F77	G75-F77 PolarHBondContact O-N 3.43Å
76	D	90.7	Very high	94.4	Very high	142 Å²	142	69.4 Å²	69.4	76%	0.759	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	60	28	179.1	-70.7	-47.1	0	0	0	114.5	L73 K78	L73-D76 PolarHBondContact O-N 3.26Å; D76-K78 PolarHBondContact O-N 3.45Å
77	F	94.2	Very high	94.1	Very high	115 Å²	115	72.2 Å²	72.2	50%	0.504	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	101.2	-176.8	-173.5	-98.3	0	0	0	111.4	V72 L73 G75 I79 M92	V72-F77 WeakPolarHBondContact CA-O 3.44Å; L73-F77 HydrophobicContact CB-CB 4.25Å; L73-F77 HydrophobicContact CB-CD1 4.42Å; L73-F77 HydrophobicContact CD1-CD1 4.11Å; L73-F77 HydrophobicContact CG-CD1 4.42Å; L73-F77 PolarHBondContact N-O 2.92Å; L73-F77 PolarHBondContact O-N 3.29Å; G75-F77 PolarHBondContact O-N 3.43Å; F77-I79 HydrophobicContact CD1-CD1 3.79Å; F77-I79 HydrophobicContact CE1-CD1 3.52Å; F77-M92 HydrophobicContact CE1-SD 4.12Å
78	K	95.9	Very high	93.9	Very high	133 Å²	133	74.5 Å²	74.5	58%	0.578	42%	0.422	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.2	123.6	-178.6	-53.2	-162.9	171	176.1	0	112.3	A71 V72 D76	A71-K78 CarbonylContact O-C 3.52Å; A71-K78 WeakPolarHBondContact O-CA 3.37Å; V72-K78 HydrophobicContact CG1-CG 4.43Å; V72-K78 HydrophobicContact CG2-CD 4.35Å; V72-K78 HydrophobicContact CG2-CG 3.95Å; D76-K78 PolarHBondContact O-N 3.45Å
79	I	96.5	Very high	93.9	Very high	10 Å²	10	73 Å²	73	5%	0.051	41%	0.413	C	S	.	.			trans	-74.3	127.1	174.4	-56.3	-55.4	0	0	0	110.3	A67 T68 G70 A71 L73 F77 M92	A67-I79 HydrophobicContact CB-CD1 4.33Å; A67-I79 HydrophobicContact CB-CG1 3.74Å; T68-I79 WeakPolarHBondContact O-CB 3.45Å; T68-I79 WeakPolarHBondContact O-CG2 3.4Å; G70-I79 PolarHBondContact N-O 2.85Å; A71-I79 HydrophobicContact CB-CB 4.21Å; A71-I79 HydrophobicContact CB-CG1 3.95Å; A71-I79 PolarHBondContact O-N 2.78Å; L73-I79 HydrophobicContact CD1-CD1 4.03Å; L73-I79 HydrophobicContact CG-CD1 4.34Å; L73-I79 HydrophobicContact CG-CG1 4.45Å; F77-I79 HydrophobicContact CD1-CD1 3.79Å; F77-I79 HydrophobicContact CE1-CD1 3.52Å; I79-M92 HydrophobicContact CD1-CB 4.01Å; I79-M92 HydrophobicContact CD1-SD 3.86Å
80	K	94.7	Very high	93.9	Very high	158 Å²	158	70.8 Å²	70.8	69%	0.687	40%	0.401	S	S	*	.			trans	-129	154.8	177.9	-63.2	177.9	-175.6	174.4	0	109.1	A82	K80-A82 PolarHBondContact O-N 2.83Å
81	A	93.9	Very high	93.9	Very high	70 Å²	70	68.9 Å²	68.9	58%	0.579	38%	0.382	S	S	*	.			trans	-59.3	130.1	169	0	0	0	0	0	109.7	I69	I69-A81 HydrophobicContact CD1-CB 3.88Å; I69-A81 HydrophobicContact CG1-CB 4.39Å
82	A	93.6	Very high	93.9	Very high	47 Å²	47	71.1 Å²	71.1	39%	0.388	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	163.2	179	0	0	0	0	0	110.4	K80 S89	K80-A82 PolarHBondContact O-N 2.83Å; A82-S89 PolarHBondContact N-O 2.6Å; A82-S89 PolarHBondContact O-N 2.9Å
83	K	92.1	Very high	93.9	Very high	172 Å²	172	70.5 Å²	70.5	75%	0.748	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.8	114.2	163.8	-71.9	-172.9	178.5	-175.5	0	108.1	E87	K83-E87 CarbonylContact C-O 3.59Å; K83-E87 VanDerWaalsContact CA-O 3.3Å; K83-E87 WeakPolarHBondContact CA-O 3.44Å
84	L	91.3	Very high	93.9	Very high	75 Å²	75	70.2 Å²	70.2	39%	0.393	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	109.9	178.3	-69.5	172.2	0	0	0	107.5	H30 V52 G86 E87	H30-L84 PolarHBondContact NE2-O 2.87Å; V52-L84 HydrophobicContact CB-CB 4.32Å; V52-L84 HydrophobicContact CB-CD1 3.88Å; V52-L84 HydrophobicContact CG1-CB 4.26Å; V52-L84 HydrophobicContact CG1-CD1 4.1Å; V52-L84 HydrophobicContact CG2-CB 4.35Å; L84-G86 PolarHBondContact O-N 2.81Å; L84-G86 VanDerWaalsContact O-N 3.09Å; L84-E87 PolarHBondContact N-O 3.22Å; L84-E87 PolarHBondContact O-N 2.91Å
85	R	89.6	Confident	94	Very high	160 Å²	160	68.6 Å²	68.6	60%	0.604	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.3	37	178	-63.4	-179.9	176	-152.9	4.2	115	H30 N32 A33	H30-R85 PolarHBondContact CE1-O 2.99Å; N32-R85 HydrophobicContact CB-CB 4.33Å; N32-R85 PolarHBondContact ND2-O 3.49Å; N32-R85 PolarHBondContact O-NH1 2.96Å; A33-R85 VanDerWaalsContact CB-NH1 3.34Å
86	G	89.8	Confident	94.2	Very high	55 Å²	55	68 Å²	68	57%	0.567	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	103	-24.9	176.7	0	0	0	0	0	114	L84	L84-G86 PolarHBondContact O-N 2.81Å; L84-G86 VanDerWaalsContact O-N 3.09Å
87	E	92.2	Very high	94.4	Very high	58 Å²	58	62.6 Å²	62.6	27%	0.271	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	139.5	-177.8	-60.4	-58.8	141.7	0	0	111.2	H30 P31 V38 V52 K83 L84	H30-E87 VanDerWaalsContact NE2-CG 3.33Å; H30-E87 WeakPolarHBondContact NE2-CG 3.1Å; P31-E87 HydrophobicContact CG-CG 4.29Å; P31-E87 WeakPolarHBondContact CG-OE1 3.5Å; V38-E87 HydrophobicContact CG2-CB 4.18Å; V38-E87 HydrophobicContact CG2-CG 3.86Å; V52-E87 HydrophobicContact CG2-CB 3.99Å; K83-E87 CarbonylContact C-O 3.59Å; K83-E87 VanDerWaalsContact CA-O 3.3Å; K83-E87 WeakPolarHBondContact CA-O 3.44Å; L84-E87 PolarHBondContact N-O 3.22Å; L84-E87 PolarHBondContact O-N 2.91Å
88	P	93.4	Very high	94.4	Very high	49 Å²	49	60.7 Å²	60.7	32%	0.318	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	141.7	175.3	29.6	-33.2	0	0	0	111.1	D50	D50-P88 HydrophobicContact CB-CG 4.07Å
89	S	95.4	Very high	94.4	Very high	7 Å²	7	54.3 Å²	54.3	5%	0.049	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	111.7	169	-161.9	0	0	0	0	109.1	D50 V52 A82 G91	D50-S89 CarbonylContact O-C 3.55Å; D50-S89 WeakPolarHBondContact O-CA 3.21Å; V52-S89 PolarHBondContact N-OG 3.28Å; V52-S89 VanDerWaalsContact N-OG 3.08Å; A82-S89 PolarHBondContact N-O 2.6Å; A82-S89 PolarHBondContact O-N 2.9Å; S89-G91 PolarHBondContact OG-O 2.85Å; S89-G91 VanDerWaalsContact OG-O 3.13Å
90	E	95.6	Very high	94.2	Very high	38 Å²	38	55.6 Å²	55.6	18%	0.178	31%	0.305	C	S	.	.			trans	-101.9	25.4	-173.5	-57.8	-172.9	101.8	0	0	112.5	R47 L49 D50 I69	R47-E90 IonicContact CZ-OE1 2.6Å; R47-E90 IonicContact CZ-OE2 3.44Å; R47-E90 VanDerWaalsContact NH1-CD 3.32Å; R47-E90 IonicContact NH1-OE1 2.87Å; R47-E90 PolarHBondContact NH1-OE1 3.41Å; R47-E90 IonicContact NH1-OE2 2.66Å; R47-E90 PolarHBondContact NH1-OE2 3.42Å; R47-E90 IonicContact NH2-OE1 3.89Å; R47-E90 PolarHBondContact NH2-OE1 2.85Å; R47-E90 IonicContact NH2-OE2 2.67Å; L49-E90 HydrophobicContact CB-CB 4.46Å; D50-E90 PolarHBondContact N-OE2 2.84Å; D50-E90 PolarHBondContact O-N 2.91Å; I69-E90 HydrophobicContact CD1-CB 4.01Å; I69-E90 WeakPolarHBondContact CG1-O 2.86Å
91	G	95.8	Very high	94.2	Very high	8 Å²	8	50.2 Å²	50.2	8%	0.082	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	165.4	-167.6	-177.4	0	0	0	0	0	110.9	A67 S89	A67-G91 CarbonylContact O-C 3.58Å; A67-G91 WeakPolarHBondContact O-CA 3.36Å; S89-G91 PolarHBondContact OG-O 2.85Å; S89-G91 VanDerWaalsContact OG-O 3.13Å
92	M	96.6	Very high	94.1	Very high	47 Å²	47	49.9 Å²	49.9	23%	0.232	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	135.9	179.4	179.1	171.9	171.7	0	0	109.3	A67 L73 F77 I79 E98	A67-M92 HydrophobicContact CB-CB 4.42Å; A67-M92 PolarHBondContact N-O 2.95Å; A67-M92 PolarHBondContact O-N 2.8Å; L73-M92 HydrophobicContact CD1-SD 4.27Å; F77-M92 HydrophobicContact CE1-SD 4.12Å; I79-M92 HydrophobicContact CD1-CB 4.01Å; I79-M92 HydrophobicContact CD1-SD 3.86Å; M92-E98 HydrophobicContact CE-CG 4.05Å; M92-E98 WeakPolarHBondContact CE-OE1 3.46Å
93	L	97.2	Very high	93.9	Very high	9 Å²	9	54.6 Å²	54.6	5%	0.047	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	127.1	169.5	-58.4	-171.3	0	0	0	108.3	V24 V41 I51 C53 V64 V66 I108	V24-L93 HydrophobicContact CG2-CD1 4.22Å; V41-L93 HydrophobicContact CG1-CD2 4.41Å; V41-L93 HydrophobicContact CG2-CD2 4.19Å; I51-L93 HydrophobicContact CD1-CD2 4.25Å; I51-L93 HydrophobicContact CG2-CD2 4.47Å; I51-L93 HydrophobicContact CG2-CG 4.11Å; C53-L93 HydrophobicContact CB-CD1 3.93Å; C53-L93 HydrophobicContact CB-CG 4.43Å; V64-L93 HydrophobicContact CG2-CD1 4.46Å; V64-L93 HydrophobicContact CG2-CD2 3.75Å; V66-L93 HydrophobicContact CB-CD2 4.41Å; V66-L93 HydrophobicContact CG1-CD2 4.27Å; V66-L93 HydrophobicContact CG2-CD2 3.76Å; L93-I108 HydrophobicContact CB-CB 4.38Å; L93-I108 HydrophobicContact CB-CD1 4.34Å; L93-I108 HydrophobicContact CB-CG2 3.59Å; L93-I108 HydrophobicContact CD1-CD1 3.77Å
94	C	97	Very high	93.7	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-98.7	145.8	-169.6	-55.1	0	0	0	0	112.8	A65 E98 L99 I108 I109	A65-C94 HydrophobicContact CB-CB 4.27Å; A65-C94 PolarHBondContact O-N 3.13Å; C94-E98 WeakPolarHBondContact CA-OE2 3.26Å; C94-L99 HydrophobicContact CB-CD1 4.19Å; C94-L99 HydrophobicContact CB-CD2 3.92Å; C94-L99 HydrophobicContact CB-CG 3.91Å; C94-I108 WeakPolarHBondContact O-CA 3.42Å; C94-I109 WeakPolarHBondContact O-CG1 3.49Å; C94-I109 PolarHBondContact O-N 2.66Å
95	S	96.6	Very high	93.6	Very high	8 Å²	8	52.2 Å²	52.2	6%	0.056	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-89	169	162.9	60.7	0	0	0	0	111.5	S97 E98 L99 G107	S95-S97 VanDerWaalsContact C-N 3.29Å; S95-S97 PolarHBondContact O-N 3.02Å; S95-E98 WeakPolarHBondContact CB-OE2 3.36Å; S95-E98 PolarHBondContact N-OE2 3.24Å; S95-E98 PolarHBondContact O-N 2.66Å; S95-E98 VanDerWaalsContact OG-CG 3.24Å; S95-E98 WeakPolarHBondContact OG-CG 3.25Å; S95-E98 PolarHBondContact OG-N 2.75Å; S95-E98 PolarHBondContact OG-OE2 2.91Å; S95-L99 PolarHBondContact O-N 3.2Å; S95-G107 WeakPolarHBondContact CA-O 3.37Å; S95-G107 WeakPolarHBondContact CB-O 3.45Å
96	F	95.3	Very high	93.6	Very high	66 Å²	66	48.6 Å²	48.6	29%	0.289	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-38	174.9	-74.5	-68.8	0	0	0	112.2	L99 G100 I101 S102 I109	F96-L99 PolarHBondContact O-N 3.18Å; F96-G100 PolarHBondContact O-N 3.31Å; F96-I101 HydrophobicContact CB-CB 4.35Å; F96-I101 HydrophobicContact CD1-CB 4.02Å; F96-I101 HydrophobicContact CD1-CD1 4.02Å; F96-I101 HydrophobicContact CD1-CG2 3.82Å; F96-I101 HydrophobicContact CE1-CG2 4.46Å; F96-I101 PolarHBondContact O-N 3.38Å; F96-S102 CarbonylContact C-O 3.47Å; F96-I109 HydrophobicContact CD1-CD1 3.79Å; F96-I109 HydrophobicContact CD1-CG1 3.89Å; F96-I109 HydrophobicContact CD2-CG1 3.97Å; F96-I109 HydrophobicContact CE1-CD1 4.01Å; F96-I109 HydrophobicContact CE1-CG1 3.99Å; F96-I109 HydrophobicContact CE1-CG2 3.96Å; F96-I109 HydrophobicContact CE2-CB 4.49Å; F96-I109 HydrophobicContact CE2-CG1 4.07Å; F96-I109 HydrophobicContact CE2-CG2 4.15Å; F96-I109 HydrophobicContact CG-CD1 4.18Å; F96-I109 HydrophobicContact CG-CG1 3.88Å; F96-I109 HydrophobicContact CZ-CB 4.39Å; F96-I109 HydrophobicContact CZ-CG1 4.08Å; F96-I109 HydrophobicContact CZ-CG2 3.65Å
97	S	94.9	Very high	93.8	Very high	29 Å²	29	46.5 Å²	46.5	20%	0.203	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-70	-37.8	179.5	-175.3	0	0	0	0	113.9	S95 L99 G100 S102 D104 H105	S95-S97 VanDerWaalsContact C-N 3.29Å; S95-S97 PolarHBondContact O-N 3.02Å; S97-L99 PolarHBondContact O-N 3.28Å; S97-G100 PolarHBondContact O-N 3.45Å; S97-S102 WeakPolarHBondContact CA-O 3.35Å; S97-S102 VanDerWaalsContact CB-O 3.23Å; S97-S102 WeakPolarHBondContact CB-O 3.32Å; S97-S102 PolarHBondContact N-O 2.79Å; S97-D104 WeakPolarHBondContact CB-O 3.28Å; S97-D104 PolarHBondContact N-O 2.86Å; S97-H105 WeakPolarHBondContact CB-CE1 3.23Å; S97-H105 WeakPolarHBondContact CB-ND1 3.48Å; S97-H105 PolarHBondContact OG-CE1 2.91Å; S97-H105 PolarHBondContact OG-ND1 2.93Å
98	E	94.9	Very high	94	Very high	75 Å²	75	44.2 Å²	44.2	35%	0.35	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-64.7	-20.5	175.2	-73.1	160.2	157.2	0	0	112.9	P74 M92 C94 S95	P74-E98 WeakPolarHBondContact CD-O 3.21Å; M92-E98 HydrophobicContact CE-CG 4.05Å; M92-E98 WeakPolarHBondContact CE-OE1 3.46Å; C94-E98 WeakPolarHBondContact CA-OE2 3.26Å; S95-E98 WeakPolarHBondContact CB-OE2 3.36Å; S95-E98 PolarHBondContact N-OE2 3.24Å; S95-E98 PolarHBondContact O-N 2.66Å; S95-E98 VanDerWaalsContact OG-CG 3.24Å; S95-E98 WeakPolarHBondContact OG-CG 3.25Å; S95-E98 PolarHBondContact OG-N 2.75Å; S95-E98 PolarHBondContact OG-OE2 2.91Å
99	L	95.4	Very high	94.1	Very high	0 Å²	0	42 Å²	42	0%	0	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-96.2	0	172.7	-60.1	-172.2	0	0	0	112.9	G14 F16 V19 A65 L73 C94 S95 F96 S97 I101 I109 I121	G14-L99 PolarHBondContact N-O 3.28Å; F16-L99 HydrophobicContact CD1-CB 4.26Å; F16-L99 HydrophobicContact CD1-CD2 4.37Å; F16-L99 WeakPolarHBondContact CD1-O 3.28Å; F16-L99 HydrophobicContact CD2-CD2 4.23Å; F16-L99 HydrophobicContact CE1-CB 3.76Å; F16-L99 HydrophobicContact CE1-CD2 4.34Å; F16-L99 HydrophobicContact CE1-CG 4.46Å; F16-L99 WeakPolarHBondContact CE1-O 3.25Å; F16-L99 HydrophobicContact CE2-CD1 4.48Å; F16-L99 HydrophobicContact CE2-CD2 4.19Å; F16-L99 HydrophobicContact CG-CD2 4.32Å; F16-L99 HydrophobicContact CZ-CB 4.07Å; F16-L99 HydrophobicContact CZ-CD1 4.13Å; F16-L99 HydrophobicContact CZ-CD2 4.23Å; F16-L99 HydrophobicContact CZ-CG 4.37Å; V19-L99 HydrophobicContact CG1-CD1 4.36Å; V19-L99 HydrophobicContact CG1-CD2 4.3Å; V19-L99 HydrophobicContact CG2-CD2 4.03Å; A65-L99 HydrophobicContact CB-CD1 4.2Å; L73-L99 HydrophobicContact CD2-CD2 3.79Å; C94-L99 HydrophobicContact CB-CD1 4.19Å; C94-L99 HydrophobicContact CB-CD2 3.92Å; C94-L99 HydrophobicContact CB-CG 3.91Å; S95-L99 PolarHBondContact O-N 3.2Å; F96-L99 PolarHBondContact O-N 3.18Å; S97-L99 PolarHBondContact O-N 3.28Å; L99-I101 VanDerWaalsContact C-N 3.28Å; L99-I101 HydrophobicContact CB-CD1 3.74Å; L99-I101 HydrophobicContact CB-CG1 3.9Å; L99-I101 HydrophobicContact CD1-CD1 4.03Å; L99-I101 PolarHBondContact O-N 3.47Å; L99-I109 HydrophobicContact CD1-CD1 3.67Å; L99-I109 HydrophobicContact CG-CD1 4.46Å; L99-I121 HydrophobicContact CD1-CG2 4.45Å
100	G	93.7	Very high	94.2	Very high	36 Å²	36	45.7 Å²	45.7	37%	0.371	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.5	31.9	-177.2	0	0	0	0	0	113.4	A13 G14 F96 S97	A13-G100 CarbonylContact C-O 3.5Å; A13-G100 WeakPolarHBondContact CA-O 3.19Å; G14-G100 PolarHBondContact N-O 3.17Å; F96-G100 PolarHBondContact O-N 3.31Å; S97-G100 PolarHBondContact O-N 3.45Å
101	I	93.8	Very high	94.2	Very high	45 Å²	45	44.7 Å²	44.7	23%	0.231	25%	0.252	C	S	.	.	S	Bend	trans	-92.6	-36.8	179.3	-60.7	169.6	0	0	0	110.9	A13 F96 L99 L127	A13-I101 HydrophobicContact CB-CG1 3.84Å; F96-I101 HydrophobicContact CB-CB 4.35Å; F96-I101 HydrophobicContact CD1-CB 4.02Å; F96-I101 HydrophobicContact CD1-CD1 4.02Å; F96-I101 HydrophobicContact CD1-CG2 3.82Å; F96-I101 HydrophobicContact CE1-CG2 4.46Å; F96-I101 PolarHBondContact O-N 3.38Å; L99-I101 VanDerWaalsContact C-N 3.28Å; L99-I101 HydrophobicContact CB-CD1 3.74Å; L99-I101 HydrophobicContact CB-CG1 3.9Å; L99-I101 HydrophobicContact CD1-CD1 4.03Å; L99-I101 PolarHBondContact O-N 3.47Å; I101-L127 HydrophobicContact CD1-CD1 3.64Å; I101-L127 HydrophobicContact CD1-CD2 4.2Å; I101-L127 HydrophobicContact CG1-CD1 4.25Å; I101-L127 HydrophobicContact CG1-CD2 4.39Å
102	S	91.4	Very high	94.3	Very high	64 Å²	64	47.5 Å²	47.5	45%	0.448	27%	0.269	S	S	.	.			trans	-159.7	159.1	-178.4	171.4	0	0	0	0	109.7	F96 S97 D104	F96-S102 CarbonylContact C-O 3.47Å; S97-S102 WeakPolarHBondContact CA-O 3.35Å; S97-S102 VanDerWaalsContact CB-O 3.23Å; S97-S102 WeakPolarHBondContact CB-O 3.32Å; S97-S102 PolarHBondContact N-O 2.79Å; S102-D104 PolarHBondContact O-N 3.06Å; S102-D104 VanDerWaalsContact O-N 3.1Å; S102-D104 PolarHBondContact OG-N 3.21Å
103	D	89.5	Confident	94.2	Very high	145 Å²	145	49.3 Å²	49.3	78%	0.775	29%	0.292	S	S	*	.	S	Bend	trans	-74.8	12.5	173.9	-64.3	-35.7	0	0	0	113.6	H105	D103-H105 PolarHBondContact O-CD2 3Å; D103-H105 PolarHBondContact O-N 2.77Å; D103-H105 PolarHBondContact O-NE2 3.28Å
104	D	88.2	Confident	94.2	Very high	65 Å²	65	55.3 Å²	55.3	35%	0.348	32%	0.324	S	S	.	.			trans	-75.9	115.6	176.3	-172.1	7.9	0	0	0	111.7	S97 S102 S106	S97-D104 WeakPolarHBondContact CB-O 3.28Å; S97-D104 PolarHBondContact N-O 2.86Å; S102-D104 PolarHBondContact O-N 3.06Å; S102-D104 VanDerWaalsContact O-N 3.1Å; S102-D104 PolarHBondContact OG-N 3.21Å; D104-S106 WeakPolarHBondContact OD1-CB 2.97Å; D104-S106 PolarHBondContact OD1-N 2.91Å; D104-S106 PolarHBondContact OD1-OG 3.08Å; D104-S106 PolarHBondContact OD2-OG 3.25Å
105	H	88.4	Confident	94.2	Very high	132 Å²	132	55.4 Å²	55.4	61%	0.611	32%	0.324	S	S	*	.			trans	-113.3	12.8	176.8	-53	-85	0	0	0	113	S97 D103 G107	S97-H105 WeakPolarHBondContact CB-CE1 3.23Å; S97-H105 WeakPolarHBondContact CB-ND1 3.48Å; S97-H105 PolarHBondContact OG-CE1 2.91Å; S97-H105 PolarHBondContact OG-ND1 2.93Å; D103-H105 PolarHBondContact O-CD2 3Å; D103-H105 PolarHBondContact O-N 2.77Å; D103-H105 PolarHBondContact O-NE2 3.28Å; H105-G107 PolarHBondContact O-N 3.23Å
106	S	89.7	Confident	94.2	Very high	84 Å²	84	57.8 Å²	57.8	59%	0.587	34%	0.34	S	S	*	.	S	Bend	trans	-65	-26.1	-173.4	62.1	0	0	0	0	113.6	P56 D104	P56-S106 WeakPolarHBondContact CG-O 3.29Å; D104-S106 WeakPolarHBondContact OD1-CB 2.97Å; D104-S106 PolarHBondContact OD1-N 2.91Å; D104-S106 PolarHBondContact OD1-OG 3.08Å; D104-S106 PolarHBondContact OD2-OG 3.25Å
107	G	93.9	Very high	94.3	Very high	11 Å²	11	57.1 Å²	57.1	11%	0.113	34%	0.338	C	S	.	.	S	Bend	trans	178.4	-170.4	179.9	0	0	0	0	0	113.2	N57 S95 H105	N57-G107 VanDerWaalsContact OD1-CA 3.32Å; N57-G107 WeakPolarHBondContact OD1-CA 3.45Å; S95-G107 WeakPolarHBondContact CA-O 3.37Å; S95-G107 WeakPolarHBondContact CB-O 3.45Å; H105-G107 PolarHBondContact O-N 3.23Å
108	I	96.3	Very high	94.4	Very high	10 Å²	10	57.3 Å²	57.3	5%	0.051	35%	0.345	C	S	.	.	S	Bend	trans	-72.5	152.9	172.7	57.8	177.5	0	0	0	110.2	A55 N57 C58 L62 V64 L93 C94 E110	A55-I108 HydrophobicContact CB-CB 4.38Å; A55-I108 HydrophobicContact CB-CG1 4.31Å; A55-I108 HydrophobicContact CB-CG2 3.64Å; N57-I108 PolarHBondContact ND2-O 3.21Å; N57-I108 WeakPolarHBondContact OD1-CG1 3.06Å; N57-I108 PolarHBondContact OD1-N 3.26Å; N57-I108 VanDerWaalsContact OD1-N 3.08Å; C58-I108 HydrophobicContact CB-CD1 3.89Å; L62-I108 HydrophobicContact CD1-CD1 4.44Å; V64-I108 HydrophobicContact CB-CD1 4.46Å; V64-I108 HydrophobicContact CG1-CD1 3.68Å; V64-I108 HydrophobicContact CG1-CG1 4.35Å; L93-I108 HydrophobicContact CB-CB 4.38Å; L93-I108 HydrophobicContact CB-CD1 4.34Å; L93-I108 HydrophobicContact CB-CG2 3.59Å; L93-I108 HydrophobicContact CD1-CD1 3.77Å; C94-I108 WeakPolarHBondContact O-CA 3.42Å; I108-E110 PolarHBondContact O-N 2.82Å
109	I	96.3	Very high	94.5	Very high	2 Å²	2	55.4 Å²	55.4	1%	0.01	34%	0.339	C	S	.	.			trans	-63	122.9	177.9	-59.8	169.9	0	0	0	109.4	V64 A65 C94 F96 L99 L111	V64-I109 WeakPolarHBondContact CA-O 3.45Å; A65-I109 HydrophobicContact CB-CB 4.5Å; A65-I109 HydrophobicContact CB-CD1 4.02Å; C94-I109 WeakPolarHBondContact O-CG1 3.49Å; C94-I109 PolarHBondContact O-N 2.66Å; F96-I109 HydrophobicContact CD1-CD1 3.79Å; F96-I109 HydrophobicContact CD1-CG1 3.89Å; F96-I109 HydrophobicContact CD2-CG1 3.97Å; F96-I109 HydrophobicContact CE1-CD1 4.01Å; F96-I109 HydrophobicContact CE1-CG1 3.99Å; F96-I109 HydrophobicContact CE1-CG2 3.96Å; F96-I109 HydrophobicContact CE2-CB 4.49Å; F96-I109 HydrophobicContact CE2-CG1 4.07Å; F96-I109 HydrophobicContact CE2-CG2 4.15Å; F96-I109 HydrophobicContact CG-CD1 4.18Å; F96-I109 HydrophobicContact CG-CG1 3.88Å; F96-I109 HydrophobicContact CZ-CB 4.39Å; F96-I109 HydrophobicContact CZ-CG1 4.08Å; F96-I109 HydrophobicContact CZ-CG2 3.65Å; L99-I109 HydrophobicContact CD1-CD1 3.67Å; L99-I109 HydrophobicContact CG-CD1 4.46Å; I109-L111 HydrophobicContact CG2-CD2 3.52Å; I109-L111 HydrophobicContact CG2-CG 3.99Å
110	E	96.7	Very high	94.6	Very high	85 Å²	85	58 Å²	58	40%	0.397	35%	0.353	S	S	.	.			trans	-94.9	106.8	169.5	-64.3	-170.4	-159.9	0	0	109.1	N57 R59 L62 I108	N57-E110 WeakPolarHBondContact CB-OE1 3.25Å; N57-E110 PolarHBondContact ND2-OE1 2.81Å; R59-E110 IonicContact CZ-OE1 3.13Å; R59-E110 IonicContact CZ-OE2 2.72Å; R59-E110 IonicContact NH1-OE1 3.97Å; R59-E110 PolarHBondContact NH1-OE1 3.03Å; R59-E110 IonicContact NH1-OE2 2.9Å; R59-E110 PolarHBondContact NH1-OE2 3.49Å; R59-E110 VanDerWaalsContact NH1-OE2 3.16Å; R59-E110 IonicContact NH2-OE1 2.91Å; R59-E110 IonicContact NH2-OE2 3.76Å; R59-E110 PolarHBondContact NH2-OE2 2.84Å; L62-E110 HydrophobicContact CD1-CG 4.09Å; L62-E110 HydrophobicContact CD2-CB 4.36Å; L62-E110 HydrophobicContact CD2-CG 3.87Å; L62-E110 WeakPolarHBondContact CD2-OE2 3.32Å; I108-E110 PolarHBondContact O-N 2.82Å
111	L	97.3	Very high	94.8	Very high	17 Å²	17	56.3 Å²	56.3	9%	0.089	34%	0.335	C	S	.	.	B	Isolated β-bridge	trans	-85.6	158.2	177.7	-57.8	171.3	0	0	0	110.5	V21 R63 I109 A115 I121 Y124 L125	V21-L111 HydrophobicContact CB-CD1 4.42Å; V21-L111 HydrophobicContact CG1-CD1 4.03Å; V21-L111 HydrophobicContact CG2-CD1 3.99Å; R63-L111 HydrophobicContact CB-CB 3.76Å; R63-L111 PolarHBondContact O-N 3.18Å; I109-L111 HydrophobicContact CG2-CD2 3.52Å; I109-L111 HydrophobicContact CG2-CG 3.99Å; L111-A115 HydrophobicContact CB-CB 4.01Å; L111-A115 HydrophobicContact CD1-CB 4.46Å; L111-I121 HydrophobicContact CD1-CD1 3.7Å; L111-I121 HydrophobicContact CD2-CD1 4.08Å; L111-Y124 HydrophobicContact CB-CE1 4.47Å; L111-Y124 HydrophobicContact CD1-CE1 4.45Å; L111-Y124 HydrophobicContact CD2-CD1 4.4Å; L111-Y124 HydrophobicContact CD2-CE1 4.05Å; L111-L125 HydrophobicContact CD2-CD1 4.33Å; L111-L125 HydrophobicContact CD2-CD2 4.09Å
112	P	97.2	Very high	94.9	Very high	68 Å²	68	55.7 Å²	55.7	44%	0.442	33%	0.33	S	S	.	.			trans	-50.1	144.5	169.6	-28.5	36.6	0	0	0	112.4	R63 D114 A115 Y124	R63-P112 WeakPolarHBondContact CG-O 3.39Å; P112-D114 WeakPolarHBondContact CB-OD1 3.4Å; P112-D114 PolarHBondContact O-N 3.49Å; P112-D114 VanDerWaalsContact O-N 3.15Å; P112-A115 WeakPolarHBondContact O-CB 3.45Å; P112-A115 PolarHBondContact O-N 2.86Å; P112-Y124 WeakPolarHBondContact CD-OH 3.42Å; P112-Y124 WeakPolarHBondContact CG-OH 3.48Å
113	A	95.4	Very high	95.2	Very high	85 Å²	85	59.3 Å²	59.3	70%	0.702	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-26.9	-175.1	0	0	0	0	0	113.6	R63 A115	R63-A113 PolarHBondContact NE-O 3.28Å; A113-A115 VanDerWaalsContact C-N 3.31Å
114	D	95.8	Very high	95.6	Very high	135 Å²	135	55.4 Å²	55.4	72%	0.722	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	4.4	177.1	65.1	-29.4	0	0	0	113.8	P112	P112-D114 WeakPolarHBondContact CB-OD1 3.4Å; P112-D114 PolarHBondContact O-N 3.49Å; P112-D114 VanDerWaalsContact O-N 3.15Å
115	A	97.5	Very high	96	Very high	1 Å²	1	55 Å²	55	1%	0.008	31%	0.312	C	S	.	.			trans	-57.9	129	176.3	0	0	0	0	0	111.3	V21 R63 L111 P112 A113 I117 Y124	V21-A115 HydrophobicContact CG1-CB 3.74Å; R63-A115 HydrophobicContact CB-CB 4.15Å; R63-A115 WeakPolarHBondContact CD-O 3.45Å; R63-A115 HydrophobicContact CG-CB 4.19Å; R63-A115 PolarHBondContact NE-O 3.11Å; R63-A115 VanDerWaalsContact NE-O 3.11Å; L111-A115 HydrophobicContact CB-CB 4.01Å; L111-A115 HydrophobicContact CD1-CB 4.46Å; P112-A115 WeakPolarHBondContact O-CB 3.45Å; P112-A115 PolarHBondContact O-N 2.86Å; A113-A115 VanDerWaalsContact C-N 3.31Å; A115-I117 PolarHBondContact O-N 2.96Å; A115-Y124 HydrophobicContact CB-CE1 3.89Å; A115-Y124 HydrophobicContact CB-CE2 4.1Å; A115-Y124 WeakPolarHBondContact CB-OH 3.46Å
116	P	97.3	Very high	96.3	Very high	59 Å²	59	56.7 Å²	56.7	38%	0.383	32%	0.318	S	S	.	.			trans	-76	112.8	-172.3	28.7	-33.5	0	0	0	111.9	V21 G118 T119 Y124	V21-P116 WeakPolarHBondContact CB-O 3.3Å; P116-G118 PolarHBondContact O-N 3.15Å; P116-T119 WeakPolarHBondContact CB-OG1 3.34Å; P116-T119 HydrophobicContact CG-CG2 4.32Å; P116-T119 VanDerWaalsContact CG-OG1 3.26Å; P116-T119 WeakPolarHBondContact CG-OG1 3.14Å; P116-T119 VanDerWaalsContact O-CB 3.28Å; P116-T119 WeakPolarHBondContact O-CB 3.18Å; P116-T119 PolarHBondContact O-N 3.04Å; P116-T119 PolarHBondContact O-OG1 3.39Å; P116-Y124 VanDerWaalsContact CD-CE2 3.44Å; P116-Y124 HydrophobicContact CG-CD2 4.02Å; P116-Y124 HydrophobicContact CG-CE2 4.34Å
117	I	97.4	Very high	96.7	Very high	51 Å²	51	53.3 Å²	53.3	26%	0.262	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	136.7	179.8	-50.8	177.5	0	0	0	111.4	E23 N42 V43 G44 A115 T119	E23-I117 HydrophobicContact CB-CD1 4.48Å; N42-I117 WeakPolarHBondContact O-CG2 3.17Å; V43-I117 VanDerWaalsContact C-CG2 3.44Å; G44-I117 VanDerWaalsContact N-CG2 3.27Å; A115-I117 PolarHBondContact O-N 2.96Å; I117-T119 PolarHBondContact O-N 3.5Å
118	G	96.9	Very high	96.7	Very high	34 Å²	34	59.1 Å²	59.1	35%	0.351	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.3	-10.3	175.8	0	0	0	0	0	114	V21 V43 P116	V21-G118 PolarHBondContact O-N 3.09Å; V43-G118 VanDerWaalsContact O-CA 3.24Å; V43-G118 WeakPolarHBondContact O-CA 3.44Å; P116-G118 PolarHBondContact O-N 3.15Å
119	T	97.3	Very high	96.8	Very high	35 Å²	35	63.1 Å²	63.1	22%	0.215	34%	0.343	C	S	.	.			trans	-67.6	141.4	174.9	-50.4	0	0	0	0	110	V20 V21 P116 I117 I121	V20-T119 CarbonylContact C-O 3.59Å; V20-T119 VanDerWaalsContact CA-O 3.26Å; V20-T119 WeakPolarHBondContact CA-O 3.41Å; V21-T119 PolarHBondContact N-O 2.98Å; P116-T119 WeakPolarHBondContact CB-OG1 3.34Å; P116-T119 HydrophobicContact CG-CG2 4.32Å; P116-T119 VanDerWaalsContact CG-OG1 3.26Å; P116-T119 WeakPolarHBondContact CG-OG1 3.14Å; P116-T119 VanDerWaalsContact O-CB 3.28Å; P116-T119 WeakPolarHBondContact O-CB 3.18Å; P116-T119 PolarHBondContact O-N 3.04Å; P116-T119 PolarHBondContact O-OG1 3.39Å; I117-T119 PolarHBondContact O-N 3.5Å; T119-I121 PolarHBondContact O-N 3.33Å
120	D	97.4	Very high	96.8	Very high	55 Å²	55	67.2 Å²	67.2	29%	0.294	37%	0.365	S	S	.	.	B	Isolated β-bridge	trans	-60.7	132.7	173.8	-170.4	-70.9	0	0	0	109.8	R122 E123 Y124	D120-R122 PolarHBondContact O-N 2.72Å; D120-R122 WeakPolarHBondContact OD1-CA 3.36Å; D120-R122 WeakPolarHBondContact OD1-CB 3.42Å; D120-R122 WeakPolarHBondContact OD1-CG 3.44Å; D120-R122 PolarHBondContact OD1-N 3.1Å; D120-E123 HydrophobicContact CB-CB 4.29Å; D120-E123 PolarHBondContact O-N 2.91Å; D120-Y124 PolarHBondContact O-N 2.92Å
121	I	97	Very high	96.8	Very high	0 Å²	0	67.1 Å²	67.1	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-65.1	-29.1	-175.8	-164.2	63.9	0	0	0	111.9	F16 V19 V21 A65 L99 L111 T119 Y124 L125	F16-I121 HydrophobicContact CE2-CG2 3.49Å; F16-I121 VanDerWaalsContact CE2-CG2 3.49Å; F16-I121 HydrophobicContact CZ-CG2 3.98Å; V19-I121 HydrophobicContact CB-CB 4.48Å; V19-I121 HydrophobicContact CB-CG2 3.62Å; V19-I121 HydrophobicContact CG1-CB 4.13Å; V19-I121 HydrophobicContact CG1-CG2 3.6Å; V19-I121 WeakPolarHBondContact O-CG2 3.08Å; V19-I121 PolarHBondContact O-N 3.04Å; V21-I121 HydrophobicContact CG2-CD1 3.97Å; A65-I121 HydrophobicContact CB-CD1 4.07Å; A65-I121 HydrophobicContact CB-CG1 4.03Å; L99-I121 HydrophobicContact CD1-CG2 4.45Å; L111-I121 HydrophobicContact CD1-CD1 3.7Å; L111-I121 HydrophobicContact CD2-CD1 4.08Å; T119-I121 PolarHBondContact O-N 3.33Å; I121-Y124 HydrophobicContact CD1-CD1 4.24Å; I121-Y124 PolarHBondContact O-N 2.73Å; I121-L125 HydrophobicContact CD1-CD1 3.92Å; I121-L125 HydrophobicContact CD1-CG 4.04Å; I121-L125 HydrophobicContact CG1-CD1 3.87Å; I121-L125 HydrophobicContact CG1-CG 4.24Å; I121-L125 WeakPolarHBondContact O-CB 3.36Å; I121-L125 PolarHBondContact O-N 3.28Å
122	R	96.5	Very high	96.8	Very high	31 Å²	31	71 Å²	71	12%	0.117	39%	0.39	C	S	.	.	H	α-helix	trans	-72.1	-36.1	178.5	-53.6	-167.5	85.5	-91.3	0.3	111.2	F16 D120 K126 L127 D128	F16-R122 HydrophobicContact CD2-CG 4.16Å; F16-R122 HydrophobicContact CE2-CG 3.35Å; F16-R122 HydrophobicContact CZ-CG 3.61Å; F16-R122 WeakPolarHBondContact O-CD 3.41Å; D120-R122 PolarHBondContact O-N 2.72Å; D120-R122 WeakPolarHBondContact OD1-CA 3.36Å; D120-R122 WeakPolarHBondContact OD1-CB 3.42Å; D120-R122 WeakPolarHBondContact OD1-CG 3.44Å; D120-R122 PolarHBondContact OD1-N 3.1Å; R122-K126 CarbonylContact O-C 3.53Å; R122-K126 WeakPolarHBondContact O-CA 3.5Å; R122-K126 PolarHBondContact O-N 3.27Å; R122-L127 HydrophobicContact CB-CB 4.14Å; R122-L127 HydrophobicContact CG-CB 4.39Å; R122-L127 HydrophobicContact CG-CD1 4.4Å; R122-L127 PolarHBondContact NH2-O 2.98Å; R122-L127 PolarHBondContact O-N 3.2Å; R122-D128 IonicContact CZ-OD1 3.16Å; R122-D128 IonicContact NH1-OD1 3.83Å; R122-D128 PolarHBondContact NH1-OD1 3Å; R122-D128 IonicContact NH1-OD2 3.35Å; R122-D128 PolarHBondContact NH1-OD2 2.85Å; R122-D128 IonicContact NH2-OD1 3.39Å
123	E	96.7	Very high	96.8	Very high	141 Å²	141	73.4 Å²	73.4	66%	0.659	40%	0.395	S	S	*	.	H	α-helix	trans	-67.2	-49	171.3	-174.9	-179	172.9	0	0	110.6	D120 L125 K126	D120-E123 HydrophobicContact CB-CB 4.29Å; D120-E123 PolarHBondContact O-N 2.91Å; E123-L125 PolarHBondContact O-N 3.16Å; E123-K126 PolarHBondContact O-N 2.77Å
124	Y	97.5	Very high	96.8	Very high	62 Å²	62	71.7 Å²	71.7	24%	0.243	37%	0.374	C	S	.	.	H	α-helix	trans	-62.2	-46.8	-177	178.4	-111	0	0	0	113	V21 L111 P112 A115 P116 D120 I121 K126	V21-Y124 HydrophobicContact CG2-CD1 4.09Å; V21-Y124 HydrophobicContact CG2-CG 4.11Å; L111-Y124 HydrophobicContact CB-CE1 4.47Å; L111-Y124 HydrophobicContact CD1-CE1 4.45Å; L111-Y124 HydrophobicContact CD2-CD1 4.4Å; L111-Y124 HydrophobicContact CD2-CE1 4.05Å; P112-Y124 WeakPolarHBondContact CD-OH 3.42Å; P112-Y124 WeakPolarHBondContact CG-OH 3.48Å; A115-Y124 HydrophobicContact CB-CE1 3.89Å; A115-Y124 HydrophobicContact CB-CE2 4.1Å; A115-Y124 WeakPolarHBondContact CB-OH 3.46Å; P116-Y124 VanDerWaalsContact CD-CE2 3.44Å; P116-Y124 HydrophobicContact CG-CD2 4.02Å; P116-Y124 HydrophobicContact CG-CE2 4.34Å; D120-Y124 PolarHBondContact O-N 2.92Å; I121-Y124 HydrophobicContact CD1-CD1 4.24Å; I121-Y124 PolarHBondContact O-N 2.73Å; Y124-K126 VanDerWaalsContact C-N 3.35Å
125	L	96.5	Very high	96.7	Very high	57 Å²	57	67.6 Å²	67.6	30%	0.298	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	0.9	-179.9	-64.4	-177.8	0	0	0	113.4	L111 I121 E123 L127	L111-L125 HydrophobicContact CD2-CD1 4.33Å; L111-L125 HydrophobicContact CD2-CD2 4.09Å; I121-L125 HydrophobicContact CD1-CD1 3.92Å; I121-L125 HydrophobicContact CD1-CG 4.04Å; I121-L125 HydrophobicContact CG1-CD1 3.87Å; I121-L125 HydrophobicContact CG1-CG 4.24Å; I121-L125 WeakPolarHBondContact O-CB 3.36Å; I121-L125 PolarHBondContact O-N 3.28Å; E123-L125 PolarHBondContact O-N 3.16Å; L125-L127 HydrophobicContact CB-CD1 4.05Å; L125-L127 HydrophobicContact CB-CD2 3.84Å; L125-L127 HydrophobicContact CB-CG 3.7Å; L125-L127 HydrophobicContact CD1-CD1 4.3Å; L125-L127 PolarHBondContact O-N 2.83Å
126	K	96.6	Very high	96.5	Very high	167 Å²	167	69.7 Å²	69.7	73%	0.726	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.5	49.5	-176.6	-57.5	-179.3	179.3	-179.3	0	113.2	R122 E123 Y124 D128	R122-K126 CarbonylContact O-C 3.53Å; R122-K126 WeakPolarHBondContact O-CA 3.5Å; R122-K126 PolarHBondContact O-N 3.27Å; E123-K126 PolarHBondContact O-N 2.77Å; Y124-K126 VanDerWaalsContact C-N 3.35Å; K126-D128 VanDerWaalsContact C-N 3.33Å
127	L	96.8	Very high	96.4	Very high	13 Å²	13	69.8 Å²	69.8	7%	0.068	37%	0.368	C	S	.	.			trans	-83.9	-7.8	-176.4	-55.5	175.3	0	0	0	113.4	V12 A13 F16 I101 R122 L125 D129	V12-L127 HydrophobicContact CG2-CB 4.48Å; V12-L127 HydrophobicContact CG2-CD2 4.36Å; A13-L127 HydrophobicContact CB-CB 3.95Å; A13-L127 HydrophobicContact CB-CD1 4.32Å; A13-L127 HydrophobicContact CB-CD2 4.17Å; A13-L127 HydrophobicContact CB-CG 4.36Å; F16-L127 HydrophobicContact CE1-CD1 4.38Å; F16-L127 HydrophobicContact CZ-CD1 3.72Å; I101-L127 HydrophobicContact CD1-CD1 3.64Å; I101-L127 HydrophobicContact CD1-CD2 4.2Å; I101-L127 HydrophobicContact CG1-CD1 4.25Å; I101-L127 HydrophobicContact CG1-CD2 4.39Å; R122-L127 HydrophobicContact CB-CB 4.14Å; R122-L127 HydrophobicContact CG-CB 4.39Å; R122-L127 HydrophobicContact CG-CD1 4.4Å; R122-L127 PolarHBondContact NH2-O 2.98Å; R122-L127 PolarHBondContact O-N 3.2Å; L125-L127 HydrophobicContact CB-CD1 4.05Å; L125-L127 HydrophobicContact CB-CD2 3.84Å; L125-L127 HydrophobicContact CB-CG 3.7Å; L125-L127 HydrophobicContact CD1-CD1 4.3Å; L125-L127 PolarHBondContact O-N 2.83Å; L127-D129 PolarHBondContact O-N 3.32Å
128	D	95.3	Very high	96.3	Very high	133 Å²	133	73.8 Å²	73.8	71%	0.711	40%	0.397	S	S	*	.	S	Bend	trans	-76.4	52.1	165	-81	-53.7	0	0	0	111.2	R122 K126	R122-D128 IonicContact CZ-OD1 3.16Å; R122-D128 IonicContact NH1-OD1 3.83Å; R122-D128 PolarHBondContact NH1-OD1 3Å; R122-D128 IonicContact NH1-OD2 3.35Å; R122-D128 PolarHBondContact NH1-OD2 2.85Å; R122-D128 IonicContact NH2-OD1 3.39Å; K126-D128 VanDerWaalsContact C-N 3.33Å
129	D	96.9	Very high	96.3	Very high	95 Å²	95	78.2 Å²	78.2	51%	0.508	41%	0.413	S	S	.	.			trans	-137	166.1	-178.2	-158.4	7.8	0	0	0	111.5	V12 L127	V12-D129 HydrophobicContact CG1-CB 4.22Å; V12-D129 HydrophobicContact CG2-CB 4.1Å; V12-D129 WeakPolarHBondContact CG2-O 3.46Å; V12-D129 PolarHBondContact N-O 2.89Å; L127-D129 PolarHBondContact O-N 3.32Å
130	N	97.1	Very high	96.2	Very high	87 Å²	87	78.5 Å²	78.5	47%	0.465	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	140.7	178.1	-58	-68.4	0	0	0	111.3	V9 E10	V9-N130 HydrophobicContact CG1-CB 3.82Å; E10-N130 CarbonylContact O-C 3.43Å; E10-N130 VanDerWaalsContact O-CA 3.29Å; E10-N130 WeakPolarHBondContact O-CA 3.42Å
131	T	96.6	Very high	96.1	Very high	83 Å²	83	79 Å²	79	51%	0.509	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	130.4	163.2	-56.7	0	0	0	0	108.7	V9 E10	V9-T131 WeakPolarHBondContact CA-O 3.1Å; E10-T131 PolarHBondContact N-O 3.33Å; E10-T131 PolarHBondContact O-N 2.83Å
132	I	97.1	Very high	96.1	Very high	98 Å²	98	82.2 Å²	82.2	50%	0.503	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	117.3	175.1	-57.3	175.4	0	0	0	107.9	V6 V9 I134	V6-I132 HydrophobicContact CG1-CG2 3.83Å; V6-I132 HydrophobicContact CG2-CG2 4.11Å; V9-I132 HydrophobicContact CG1-CG1 4.39Å; V9-I132 HydrophobicContact CG2-CG1 4.4Å; V9-I132 HydrophobicContact CG2-CG2 4.47Å; I132-I134 HydrophobicContact CG2-CG1 4Å
133	E	96.7	Very high	96.1	Very high	120 Å²	120	81 Å²	81	56%	0.561	44%	0.435	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.9	123.5	174.3	-172.6	172.7	-164.1	0	0	109.7	V6 D7 G8	V6-E133 WeakPolarHBondContact CA-O 3.23Å; D7-E133 HydrophobicContact CB-CB 4.46Å; D7-E133 HydrophobicContact CB-CG 4.22Å; D7-E133 PolarHBondContact N-O 3.33Å; G8-E133 PolarHBondContact O-N 3.19Å
134	I	95.1	Very high	96	Very high	48 Å²	48	80.8 Å²	80.8	25%	0.246	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	121.9	-175.8	-56.3	175.9	0	0	0	109.7	L4 E5 I132 V136 V149	L4-I134 HydrophobicContact CB-CG2 3.94Å; L4-I134 HydrophobicContact CD2-CG2 4.31Å; E5-I134 CarbonylContact O-C 3.48Å; E5-I134 WeakPolarHBondContact O-CA 3.33Å; I132-I134 HydrophobicContact CG2-CG1 4Å; I134-V136 HydrophobicContact CB-CG2 4.47Å; I134-V136 HydrophobicContact CG2-CG2 3.9Å; I134-V136 PolarHBondContact O-N 3.09Å; I134-V149 HydrophobicContact CD1-CG1 3.83Å; I134-V149 HydrophobicContact CD1-CG2 4.12Å
135	S	94.5	Very high	95.9	Very high	49 Å²	49	79.4 Å²	79.4	34%	0.343	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	99.7	169.8	-106	0	0	0	0	110.1	E5 D7	E5-S135 PolarHBondContact O-N 3Å; D7-S135 PolarHBondContact OD1-OG 2.67Å; D7-S135 VanDerWaalsContact OD2-CB 3.23Å; D7-S135 WeakPolarHBondContact OD2-CB 3.41Å; D7-S135 PolarHBondContact OD2-OG 3.2Å
136	V	94.3	Very high	95.9	Very high	45 Å²	45	83.8 Å²	83.8	27%	0.273	46%	0.464	S	S	.	.			trans	-89.9	124.3	-177.4	-177.5	0	0	0	0	110.6	I134 R140 C143 L144	I134-V136 HydrophobicContact CB-CG2 4.47Å; I134-V136 HydrophobicContact CG2-CG2 3.9Å; I134-V136 PolarHBondContact O-N 3.09Å; V136-R140 HydrophobicContact CG1-CB 3.76Å; V136-R140 WeakPolarHBondContact CG1-O 3.36Å; V136-C143 HydrophobicContact CG1-CB 4.27Å; V136-C143 HydrophobicContact CG2-CB 4.36Å; V136-L144 HydrophobicContact CB-CD2 4.33Å; V136-L144 HydrophobicContact CG1-CD2 4.35Å; V136-L144 HydrophobicContact CG2-CD2 4.43Å
137	T	94.9	Very high	95.9	Very high	61 Å²	61	78.9 Å²	78.9	37%	0.374	45%	0.446	S	S	.	.			trans	-73.7	154.8	176.7	57.4	0	0	0	0	112	N139 R140	T137-N139 VanDerWaalsContact CB-OD1 3.3Å; T137-N139 WeakPolarHBondContact CB-OD1 3.19Å; T137-N139 PolarHBondContact O-N 3.36Å; T137-N139 PolarHBondContact OG1-OD1 3.47Å; T137-R140 PolarHBondContact O-N 2.52Å; T137-R140 WeakPolarHBondContact OG1-CG 3.42Å
138	P	95.8	Very high	95.9	Very high	135 Å²	135	78.3 Å²	78.3	88%	0.877	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-25.3	-174.7	-27.6	35.3	0	0	0	115.6	R140	P138-R140 VanDerWaalsContact C-N 3.3Å
139	N	96.4	Very high	95.9	Very high	127 Å²	127	73.5 Å²	73.5	68%	0.679	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	1.3	176.5	67.7	-47.6	0	0	0	113.9	T137	T137-N139 VanDerWaalsContact CB-OD1 3.3Å; T137-N139 WeakPolarHBondContact CB-OD1 3.19Å; T137-N139 PolarHBondContact O-N 3.36Å; T137-N139 PolarHBondContact OG1-OD1 3.47Å
140	R	94.8	Very high	95.9	Very high	41 Å²	41	70.6 Å²	70.6	16%	0.155	41%	0.407	C	S	.	.			trans	-117.9	34.7	-176.3	-66.2	-56.5	-48.4	-90.7	11.4	112.7	V136 T137 P138 D142 C143 D152	V136-R140 HydrophobicContact CG1-CB 3.76Å; V136-R140 WeakPolarHBondContact CG1-O 3.36Å; T137-R140 PolarHBondContact O-N 2.52Å; T137-R140 WeakPolarHBondContact OG1-CG 3.42Å; P138-R140 VanDerWaalsContact C-N 3.3Å; R140-D142 VanDerWaalsContact CA-OD1 3.23Å; R140-D142 WeakPolarHBondContact CA-OD1 3.35Å; R140-D142 IonicContact CZ-OD1 3.7Å; R140-D142 IonicContact CZ-OD2 3.77Å; R140-D142 IonicContact NE-OD1 3.59Å; R140-D142 PolarHBondContact NE-OD1 2.99Å; R140-D142 VanDerWaalsContact NE-OD1 3.13Å; R140-D142 IonicContact NE-OD2 2.69Å; R140-D142 IonicContact NH2-OD1 2.89Å; R140-D142 IonicContact NH2-OD2 3.64Å; R140-D142 PolarHBondContact NH2-OD2 2.83Å; R140-D142 PolarHBondContact O-N 2.97Å; R140-C143 PolarHBondContact NH2-SG 3.21Å; R140-C143 WeakPolarHBondContact O-CB 3.48Å; R140-C143 PolarHBondContact O-N 3.3Å; R140-D152 IonicContact CZ-OD2 2.7Å; R140-D152 VanDerWaalsContact CZ-OD2 3.26Å; R140-D152 IonicContact NH1-OD2 3.6Å; R140-D152 PolarHBondContact NH1-OD2 2.97Å; R140-D152 IonicContact NH2-OD1 3.26Å; R140-D152 PolarHBondContact NH2-OD1 2.82Å; R140-D152 IonicContact NH2-OD2 3.86Å; R140-D152 PolarHBondContact NH2-OD2 3.39Å
141	A	95.6	Very high	95.9	Very high	65 Å²	65	71.4 Å²	71.4	54%	0.537	40%	0.403	S	S	.	.	G	3₁₀ helix	trans	-57	-22.1	178.3	0	0	0	0	0	113.3	C143 L144	A141-C143 PolarHBondContact O-N 3.38Å; A141-L144 HydrophobicContact CB-CD1 4.31Å; A141-L144 WeakPolarHBondContact O-CB 3.5Å; A141-L144 PolarHBondContact O-N 3.48Å
142	D	96.1	Very high	95.8	Very high	69 Å²	69	68.8 Å²	68.8	37%	0.369	39%	0.386	S	S	.	.	G	3₁₀ helix	trans	-56.7	-30.8	171.7	61.4	-68	0	0	0	112.9	R140 L144 G148	R140-D142 VanDerWaalsContact CA-OD1 3.23Å; R140-D142 WeakPolarHBondContact CA-OD1 3.35Å; R140-D142 IonicContact CZ-OD1 3.7Å; R140-D142 IonicContact CZ-OD2 3.77Å; R140-D142 IonicContact NE-OD1 3.59Å; R140-D142 PolarHBondContact NE-OD1 2.99Å; R140-D142 VanDerWaalsContact NE-OD1 3.13Å; R140-D142 IonicContact NE-OD2 2.69Å; R140-D142 IonicContact NH2-OD1 2.89Å; R140-D142 IonicContact NH2-OD2 3.64Å; R140-D142 PolarHBondContact NH2-OD2 2.83Å; R140-D142 PolarHBondContact O-N 2.97Å; D142-L144 VanDerWaalsContact C-N 3.35Å; D142-G148 VanDerWaalsContact O-CA 3.26Å; D142-G148 WeakPolarHBondContact O-CA 3.33Å
143	C	96	Very high	95.7	Very high	5 Å²	5	67.4 Å²	67.4	3%	0.034	38%	0.382	C	S	.	.	G	3₁₀ helix	trans	-86.3	3.9	-179.5	-72	0	0	0	0	114.7	L4 V136 R140 A141 G145 V149	L4-C143 HydrophobicContact CD2-CB 3.97Å; V136-C143 HydrophobicContact CG1-CB 4.27Å; V136-C143 HydrophobicContact CG2-CB 4.36Å; R140-C143 PolarHBondContact NH2-SG 3.21Å; R140-C143 WeakPolarHBondContact O-CB 3.48Å; R140-C143 PolarHBondContact O-N 3.3Å; A141-C143 PolarHBondContact O-N 3.38Å; C143-G145 PolarHBondContact O-N 3.31Å; C143-V149 HydrophobicContact CB-CG2 4.21Å; C143-V149 WeakPolarHBondContact O-CG2 3.37Å
144	L	96	Very high	95.7	Very high	137 Å²	137	62.2 Å²	62.2	72%	0.717	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-74.8	-4.1	173.5	-66.6	174.5	0	0	0	113.4	V136 A141 D142	V136-L144 HydrophobicContact CB-CD2 4.33Å; V136-L144 HydrophobicContact CG1-CD2 4.35Å; V136-L144 HydrophobicContact CG2-CD2 4.43Å; A141-L144 HydrophobicContact CB-CD1 4.31Å; A141-L144 WeakPolarHBondContact O-CB 3.5Å; A141-L144 PolarHBondContact O-N 3.48Å; D142-L144 VanDerWaalsContact C-N 3.35Å
145	G	95.5	Very high	95.8	Very high	32 Å²	32	65.3 Å²	65.3	33%	0.33	38%	0.381	S	S	.	.	S	Bend	trans	-121.2	152.9	169.9	0	0	0	0	0	111.7	C143 I147 G148 V149	C143-G145 PolarHBondContact O-N 3.31Å; G145-I147 PolarHBondContact O-N 3.47Å; G145-I147 VanDerWaalsContact O-N 3.14Å; G145-G148 PolarHBondContact O-N 3.08Å; G145-V149 PolarHBondContact O-N 2.87Å
146	I	96.4	Very high	95.8	Very high	149 Å²	149	68 Å²	68	76%	0.764	39%	0.391	S	S	*	.	H	α-helix	trans	-53.8	-37.1	178.6	-60.4	-61.3	0	0	0	111.7	G148 V149 A150	I146-G148 VanDerWaalsContact C-N 3.3Å; I146-G148 PolarHBondContact O-N 2.96Å; I146-V149 PolarHBondContact O-N 3.49Å; I146-A150 WeakPolarHBondContact O-CB 3.24Å; I146-A150 PolarHBondContact O-N 2.9Å
147	I	96.1	Very high	95.9	Very high	65 Å²	65	70.5 Å²	70.5	33%	0.333	40%	0.403	S	S	.	.	H	α-helix	trans	-63.6	-33.4	178.3	-171.7	59.3	0	0	0	113.2	G145 R151 L161 Q163	G145-I147 PolarHBondContact O-N 3.47Å; G145-I147 VanDerWaalsContact O-N 3.14Å; I147-R151 WeakPolarHBondContact O-CB 3.26Å; I147-R151 PolarHBondContact O-N 3.3Å; I147-L161 HydrophobicContact CD1-CD1 4.21Å; I147-L161 HydrophobicContact CD1-CD2 4.19Å; I147-Q163 HydrophobicContact CD1-CG 3.89Å
148	G	95.9	Very high	96	Very high	0 Å²	0	76.4 Å²	76.4	0%	0	43%	0.426	C	S	.	.	H	α-helix	trans	-71	-48.1	176.5	0	0	0	0	0	111.9	D142 G145 I146 A150 R151 D152	D142-G148 VanDerWaalsContact O-CA 3.26Å; D142-G148 WeakPolarHBondContact O-CA 3.33Å; G145-G148 PolarHBondContact O-N 3.08Å; I146-G148 VanDerWaalsContact C-N 3.3Å; I146-G148 PolarHBondContact O-N 2.96Å; G148-A150 VanDerWaalsContact C-N 3.33Å; G148-A150 PolarHBondContact O-N 3.17Å; G148-R151 WeakPolarHBondContact O-CB 3.47Å; G148-R151 PolarHBondContact O-N 3.35Å; G148-R151 VanDerWaalsContact O-N 3.16Å; G148-D152 PolarHBondContact O-N 2.72Å; G148-D152 VanDerWaalsContact O-N 3.15Å
149	V	96.2	Very high	96.1	Very high	33 Å²	33	75.1 Å²	75.1	20%	0.2	41%	0.412	C	S	.	.	H	α-helix	trans	-58.7	-46.9	174.5	-178.3	0	0	0	0	110.5	I134 C143 G145 I146 R151 D152 V153	I134-V149 HydrophobicContact CD1-CG1 3.83Å; I134-V149 HydrophobicContact CD1-CG2 4.12Å; C143-V149 HydrophobicContact CB-CG2 4.21Å; C143-V149 WeakPolarHBondContact O-CG2 3.37Å; G145-V149 PolarHBondContact O-N 2.87Å; I146-V149 PolarHBondContact O-N 3.49Å; V149-R151 VanDerWaalsContact C-N 3.27Å; V149-R151 PolarHBondContact O-N 3.49Å; V149-D152 PolarHBondContact O-N 3.28Å; V149-V153 HydrophobicContact CG1-CG2 4.44Å; V149-V153 WeakPolarHBondContact O-CG2 3.21Å; V149-V153 PolarHBondContact O-N 3.27Å
150	A	96.6	Very high	96.2	Very high	34 Å²	34	74.3 Å²	74.3	28%	0.281	41%	0.413	S	S	.	.	H	α-helix	trans	-60.6	-34.9	177.8	0	0	0	0	0	112.6	I146 G148 V153 A154 L161	I146-A150 WeakPolarHBondContact O-CB 3.24Å; I146-A150 PolarHBondContact O-N 2.9Å; G148-A150 VanDerWaalsContact C-N 3.33Å; G148-A150 PolarHBondContact O-N 3.17Å; A150-V153 PolarHBondContact O-N 3.16Å; A150-A154 VanDerWaalsContact O-CB 3.24Å; A150-A154 WeakPolarHBondContact O-CB 3.43Å; A150-A154 PolarHBondContact O-N 3.37Å; A150-L161 HydrophobicContact CB-CD1 3.83Å
151	R	96.5	Very high	96.3	Very high	103 Å²	103	75 Å²	75	39%	0.389	42%	0.42	S	S	.	.	H	α-helix	trans	-64.5	-46.4	175.5	-171.7	-175.9	-58.4	112.3	2.8	111.6	I147 G148 V149 A154 V155 L161	I147-R151 WeakPolarHBondContact O-CB 3.26Å; I147-R151 PolarHBondContact O-N 3.3Å; G148-R151 WeakPolarHBondContact O-CB 3.47Å; G148-R151 PolarHBondContact O-N 3.35Å; G148-R151 VanDerWaalsContact O-N 3.16Å; V149-R151 VanDerWaalsContact C-N 3.27Å; V149-R151 PolarHBondContact O-N 3.49Å; R151-A154 PolarHBondContact O-N 2.94Å; R151-V155 WeakPolarHBondContact O-CG2 3.3Å; R151-V155 PolarHBondContact O-N 3.05Å; R151-V155 VanDerWaalsContact O-N 3.08Å; R151-L161 HydrophobicContact CB-CD2 4.09Å; R151-L161 HydrophobicContact CG-CD2 4.21Å
152	D	95.3	Very high	96.3	Very high	28 Å²	28	78 Å²	78	15%	0.15	43%	0.431	C	S	.	.	H	α-helix	trans	-60.9	-47.3	175.3	-89.3	28.8	0	0	0	111	L4 R140 G148 V149 A154 V155 L156	L4-D152 HydrophobicContact CD1-CB 4.02Å; R140-D152 IonicContact CZ-OD2 2.7Å; R140-D152 VanDerWaalsContact CZ-OD2 3.26Å; R140-D152 IonicContact NH1-OD2 3.6Å; R140-D152 PolarHBondContact NH1-OD2 2.97Å; R140-D152 IonicContact NH2-OD1 3.26Å; R140-D152 PolarHBondContact NH2-OD1 2.82Å; R140-D152 IonicContact NH2-OD2 3.86Å; R140-D152 PolarHBondContact NH2-OD2 3.39Å; G148-D152 PolarHBondContact O-N 2.72Å; G148-D152 VanDerWaalsContact O-N 3.15Å; V149-D152 PolarHBondContact O-N 3.28Å; D152-A154 VanDerWaalsContact C-N 3.32Å; D152-A154 PolarHBondContact O-N 2.91Å; D152-V155 PolarHBondContact O-N 3.15Å; D152-L156 WeakPolarHBondContact O-CB 3.33Å; D152-L156 WeakPolarHBondContact O-CD1 3.23Å; D152-L156 WeakPolarHBondContact O-CG 3.11Å; D152-L156 PolarHBondContact O-N 3.45Å
153	V	95.8	Very high	96.3	Very high	69 Å²	69	80.8 Å²	80.8	42%	0.418	44%	0.442	S	S	.	.	H	α-helix	trans	-58.9	-42.7	177.3	173.5	0	0	0	0	111.5	V149 A150 L156 N157	V149-V153 HydrophobicContact CG1-CG2 4.44Å; V149-V153 WeakPolarHBondContact O-CG2 3.21Å; V149-V153 PolarHBondContact O-N 3.27Å; A150-V153 PolarHBondContact O-N 3.16Å; V153-L156 PolarHBondContact O-N 2.65Å; V153-N157 WeakPolarHBondContact O-CB 3.44Å; V153-N157 PolarHBondContact O-N 3.02Å; V153-N157 VanDerWaalsContact O-N 3.09Å; V153-N157 PolarHBondContact O-ND2 3.25Å
154	A	96.8	Very high	96.2	Very high	12 Å²	12	85.2 Å²	85.2	10%	0.099	47%	0.471	C	S	.	.	H	α-helix	trans	-62.2	-45.9	178.7	0	0	0	0	0	112.1	A150 R151 D152 Q158 L159 L161	A150-A154 VanDerWaalsContact O-CB 3.24Å; A150-A154 WeakPolarHBondContact O-CB 3.43Å; A150-A154 PolarHBondContact O-N 3.37Å; R151-A154 PolarHBondContact O-N 2.94Å; D152-A154 VanDerWaalsContact C-N 3.32Å; D152-A154 PolarHBondContact O-N 2.91Å; A154-Q158 WeakPolarHBondContact O-CA 3.39Å; A154-Q158 PolarHBondContact O-N 2.91Å; A154-L159 PolarHBondContact O-N 3.14Å; A154-L161 HydrophobicContact CB-CB 3.98Å
155	V	95.7	Very high	96.2	Very high	113 Å²	113	87.1 Å²	87.1	69%	0.685	48%	0.476	S	S	*	.	H	α-helix	trans	-64	-46.4	177.9	174.7	0	0	0	0	111.3	R151 D152 N157 Q158	R151-V155 WeakPolarHBondContact O-CG2 3.3Å; R151-V155 PolarHBondContact O-N 3.05Å; R151-V155 VanDerWaalsContact O-N 3.08Å; D152-V155 PolarHBondContact O-N 3.15Å; V155-N157 VanDerWaalsContact C-N 3.29Å; V155-N157 PolarHBondContact O-N 2.86Å; V155-Q158 PolarHBondContact O-N 3.03Å
156	L	95.7	Very high	96.2	Very high	104 Å²	104	92.9 Å²	92.9	55%	0.545	50%	0.498	S	S	.	.	H	α-helix	trans	-62.4	-36.8	-178.1	-68.3	164.8	0	0	0	112.7	A2 D152 V153	A2-L156 HydrophobicContact CB-CD1 3.37Å; A2-L156 HydrophobicContact CB-CD2 3.89Å; A2-L156 HydrophobicContact CB-CG 4.22Å; D152-L156 WeakPolarHBondContact O-CB 3.33Å; D152-L156 WeakPolarHBondContact O-CD1 3.23Å; D152-L156 WeakPolarHBondContact O-CG 3.11Å; D152-L156 PolarHBondContact O-N 3.45Å; V153-L156 PolarHBondContact O-N 2.65Å
157	N	96.7	Very high	96.2	Very high	99 Å²	99	90.2 Å²	90.2	53%	0.529	49%	0.488	S	S	.	.	H	α-helix	trans	-96.7	1	-177.1	-66	-79.2	0	0	0	113.5	V153 V155 L159	V153-N157 WeakPolarHBondContact O-CB 3.44Å; V153-N157 PolarHBondContact O-N 3.02Å; V153-N157 VanDerWaalsContact O-N 3.09Å; V153-N157 PolarHBondContact O-ND2 3.25Å; V155-N157 VanDerWaalsContact C-N 3.29Å; V155-N157 PolarHBondContact O-N 2.86Å; N157-L159 HydrophobicContact CB-CD1 3.86Å; N157-L159 HydrophobicContact CB-CG 3.92Å; N157-L159 PolarHBondContact O-N 3.13Å
158	Q	96.8	Very high	96.3	Very high	184 Å²	184	92.9 Å²	92.9	86%	0.86	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.2	39.8	-174.9	-54	179.2	17.3	0	0	112.8	A154 V155	A154-Q158 WeakPolarHBondContact O-CA 3.39Å; A154-Q158 PolarHBondContact O-N 2.91Å; V155-Q158 PolarHBondContact O-N 3.03Å
159	L	97.7	Very high	96.3	Very high	109 Å²	109	99.7 Å²	99.7	57%	0.571	55%	0.551	S	S	*	*			trans	-105.6	152	179.6	-67.1	176.3	0	0	0	110.8	A154 N157 L161	A154-L159 PolarHBondContact O-N 3.14Å; N157-L159 HydrophobicContact CB-CD1 3.86Å; N157-L159 HydrophobicContact CB-CG 3.92Å; N157-L159 PolarHBondContact O-N 3.13Å; L159-L161 PolarHBondContact O-N 3.18Å
160	P	97.2	Very high	96.2	Very high	110 Å²	110	101 Å²	101	71%	0.714	57%	0.57	S	S	*	*			trans	-65.3	135.4	171.9	28.1	-33.9	0	0	0	110.6	V162	P160-V162 PolarHBondContact O-N 2.89Å
161	L	97	Very high	96.2	Very high	56 Å²	56	103.9 Å²	103.9	29%	0.293	60%	0.595	S	S	.	*			trans	-80.5	115.1	168.7	176.2	63.4	0	0	0	109.4	I147 A150 R151 A154 L159 Q163	I147-L161 HydrophobicContact CD1-CD1 4.21Å; I147-L161 HydrophobicContact CD1-CD2 4.19Å; A150-L161 HydrophobicContact CB-CD1 3.83Å; R151-L161 HydrophobicContact CB-CD2 4.09Å; R151-L161 HydrophobicContact CG-CD2 4.21Å; A154-L161 HydrophobicContact CB-CB 3.98Å; L159-L161 PolarHBondContact O-N 3.18Å; L161-Q163 HydrophobicContact CD2-CG 4.22Å; L161-Q163 HydrophobicContact CG-CG 4.07Å
162	V	96.3	Very high	96.3	Very high	128 Å²	128	105.6 Å²	105.6	78%	0.776	62%	0.617	S	S	*	*	P	Polyproline II helix	trans	-93.6	119.8	172.5	-176.7	0	0	0	0	108.7	P160	P160-V162 PolarHBondContact O-N 2.89Å
163	Q	95.1	Very high	96.4	Very high	127 Å²	127	109.3 Å²	109.3	59%	0.593	64%	0.635	S	S	*	*	P	Polyproline II helix	trans	-100.4	150.1	-179.5	-58.5	-171	76.5	0	0	110.3	I147 L161	I147-Q163 HydrophobicContact CD1-CG 3.89Å; L161-Q163 HydrophobicContact CD2-CG 4.22Å; L161-Q163 HydrophobicContact CG-CG 4.07Å
164	P	95.1	Very high	96.4	Very high	98 Å²	98	113.7 Å²	113.7	64%	0.636	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-63.3	142.4	171.2	28	-34.2	0	0	0	110.2
165	E	95.7	Very high	96.4	Very high	177 Å²	177	119.9 Å²	119.9	83%	0.827	69%	0.688	S	S	*	*	P	Polyproline II helix	trans	-74.9	125.4	172.9	-167.9	-179.3	-179.6	0	0	109.5	V167	E165-V167 HydrophobicContact CG-CG2 3.8Å
166	I	95.9	Very high	96.4	Very high	153 Å²	153	120.6 Å²	120.6	79%	0.785	69%	0.693	S	S	*	*			trans	-112.4	92.4	178.7	-56	170.1	0	0	0	107.7
167	V	96.8	Very high	96.4	Very high	92 Å²	92	123 Å²	123	56%	0.558	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-88.3	131	179	-174.4	0	0	0	0	109.6	E165 V169	E165-V167 HydrophobicContact CG-CG2 3.8Å; V167-V169 PolarHBondContact O-N 3.36Å
168	P	96.5	Very high	96.4	Very high	122 Å²	122	124 Å²	124	79%	0.792	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-57.1	130.5	173.7	-25.2	34.5	0	0	0	112.1
169	V	96.4	Very high	96.3	Very high	142 Å²	142	122.6 Å²	122.6	86%	0.861	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-86.7	122.7	174.8	-177.3	0	0	0	0	108.6	V167	V167-V169 PolarHBondContact O-N 3.36Å
170	G	95.3	Very high	96.2	Very high	60 Å²	60	123 Å²	123	62%	0.619	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-63.6	135.3	175.1	0	0	0	0	0	111.2
171	A	96.3	Very high	96.1	Very high	96 Å²	96	122.7 Å²	122.7	79%	0.793	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-62.6	136.8	174.2	0	0	0	0	0	110.6
172	T	97.3	Very high	96.1	Very high	138 Å²	138	128.9 Å²	128.9	85%	0.847	75%	0.745	S	S	*	*	S	Bend	trans	-102.2	-7.6	176.3	56.9	0	0	0	0	113
173	I	97.3	Very high	96	Very high	106 Å²	106	125.7 Å²	125.7	54%	0.544	73%	0.732	S	S	.	*	S	Bend	trans	-141.1	158.7	176.9	64.4	177.1	0	0	0	108.8	D175	I173-D175 HydrophobicContact CD1-CB 3.95Å; I173-D175 HydrophobicContact CG1-CB 4.37Å
174	D	96.2	Very high	96	Very high	162 Å²	162	124.7 Å²	124.7	87%	0.866	74%	0.736	S	S	*	*			trans	-95	-1.7	180	-60.7	-45.2	0	0	0	113.4	T176	D174-T176 PolarHBondContact O-N 3.37Å
175	D	96.7	Very high	95.9	Very high	141 Å²	141	129.2 Å²	129.2	75%	0.754	75%	0.749	S	S	*	*			trans	-62	130.1	-179	-70	-18.8	0	0	0	110.8	I173	I173-D175 HydrophobicContact CD1-CB 3.95Å; I173-D175 HydrophobicContact CG1-CB 4.37Å
176	T	96.8	Very high	94.8	Very high	129 Å²	129	127.8 Å²	127.8	79%	0.791	77%	0.767	S	S	*	*			trans	-133.3	155.9	177.2	56.4	0	0	0	0	110.1	D174	D174-T176 PolarHBondContact O-N 3.37Å
177	L	95.3	Very high	94.7	Very high	153 Å²	153	126.5 Å²	126.5	80%	0.801	77%	0.766	S	S	*	*			trans	-115.3	133.8	172.8	-69.3	171.6	0	0	0	108.9	I179	L177-I179 PolarHBondContact O-N 3.2Å
178	P	95.9	Very high	94.6	Very high	122 Å²	122	128.3 Å²	128.3	79%	0.792	78%	0.777	S	S	*	*			trans	-66.4	132.3	172.5	28.8	-33.2	0	0	0	109.3
179	I	95.6	Very high	94.5	Very high	154 Å²	154	128.7 Å²	128.7	79%	0.79	78%	0.776	S	S	*	*			trans	-115.9	124.5	176.1	-60.7	174.1	0	0	0	107.5	L177	L177-I179 PolarHBondContact O-N 3.2Å
180	T	96.2	Very high	94.4	Very high	117 Å²	117	127.9 Å²	127.9	72%	0.718	77%	0.771	S	S	*	*			trans	-122.4	126.9	176	-56.2	0	0	0	0	108.9	E182	T180-E182 HydrophobicContact CG2-CG 4.42Å
181	V	95.3	Very high	94.3	Very high	103 Å²	103	132.1 Å²	132.1	62%	0.624	78%	0.781	S	S	*	*			trans	-102	104.3	173.7	-178.6	0	0	0	0	108.1	P184	V181-P184 HydrophobicContact CG1-CB 4.34Å
182	E	96	Very high	94.2	Very high	187 Å²	187	134.5 Å²	134.5	87%	0.874	78%	0.78	S	S	*	*	S	Bend	trans	-75.4	-25.9	-176.2	-64.2	-173.6	166.8	0	0	113.4	T180	T180-E182 HydrophobicContact CG2-CG 4.42Å
183	A	95.3	Very high	93.9	Very high	61 Å²	61	134.3 Å²	134.3	50%	0.504	78%	0.775	S	S	.	*			trans	-128.9	77	-178.8	0	0	0	0	0	110.8	E185 A186	A183-E185 PolarHBondContact O-N 3.43Å; A183-A186 HydrophobicContact CB-CB 4.07Å
184	P	93.8	Very high	93.7	Very high	105 Å²	105	136.5 Å²	136.5	68%	0.682	79%	0.793	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.7	-9.3	-177.3	28.2	-35.3	0	0	0	114.6	V181	V181-P184 HydrophobicContact CG1-CB 4.34Å
185	E	93.5	Very high	93.5	Very high	193 Å²	193	134.3 Å²	134.3	90%	0.902	79%	0.787	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.9	-2.4	-176.2	-60.9	-176.9	175	0	0	114.5	A183	A183-E185 PolarHBondContact O-N 3.43Å
186	A	71.5	Confident	93.2	Very high	147 Å²	147	133.7 Å²	133.7	100%	1.215	79%	0.79	S	S	*	*			trans	-80.2	0	-178.4	0	0	0	0	0	112.1	A183	A183-A186 HydrophobicContact CB-CB 4.07Å

Retrieved 186 of 186 residues in 89.7 ms (Link to these results)

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