A0A077ZFS9_TRITR Loading...

Mediator of RNA polymerase II transcription subunit 18

Component of the Mediator complex, a coactivator involved in the regulated transcription of nearly all RNA polymerase II-dependent genes. Mediator functions as a bridge to convey information from gene-specific regulatory proteins to the basal RNA polymerase II transcription machinery. Mediator is recruited to promoters by direct interactions with regulatory proteins and serves as a scaffold for the assembly of a functional preinitiation complex with RNA polymerase II and the general transcription factors.

AlphaFold DB , UniProt , Accession A0A077ZFS9, Species TRITR (Trichuris trichiura, Whipworm), Gene MED18, Length 179 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	78.9	Confident	94.3	Very high	136 Å²	136	41.9 Å²	41.9	67%	0.67	25%	0.248	S	C	*	.				0	123.4	0	-163.2	177.2	-75.9	0	0	106.4	Y69 K87 T88 M89	M1-Y69 HydrophobicContact CE-CD1 4.44Å; M1-Y69 HydrophobicContact CE-CE1 4.21Å; M1-Y69 HydrophobicContact SD-CE1 4.46Å; M1-K87 HydrophobicContact CG-CB 3.9Å; M1-K87 HydrophobicContact SD-CB 3.58Å; M1-K87 VanDerWaalsContact SD-CB 3.58Å; M1-K87 HydrophobicContact SD-CD 3.7Å; M1-K87 HydrophobicContact SD-CG 4.08Å; M1-T88 CarbonylContact C-O 3.5Å; M1-T88 WeakPolarHBondContact CA-O 3.47Å; M1-T88 WeakPolarHBondContact CG-O 3.45Å; M1-M89 HydrophobicContact CE-CE 3.96Å
2	A	89.6	Confident	94.6	Very high	33 Å²	33	46.7 Å²	46.7	27%	0.273	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	154.9	-177.2	0	0	0	0	0	110.2	K87 T88 L158	A2-K87 WeakPolarHBondContact O-CA 3.19Å; A2-T88 PolarHBondContact N-O 3.08Å; A2-T88 PolarHBondContact O-N 3.22Å; A2-L158 HydrophobicContact CB-CB 4.33Å; A2-L158 HydrophobicContact CB-CD1 4.4Å; A2-L158 HydrophobicContact CB-CD2 4.18Å
3	Q	94.1	Very high	94.8	Very high	13 Å²	13	47.5 Å²	47.5	6%	0.061	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	120.6	167.1	-168.3	68.9	34.8	0	0	108	Y5 D74 L158 A159	Q3-Y5 HydrophobicContact CB-CE2 4.2Å; Q3-Y5 HydrophobicContact CG-CE1 4.46Å; Q3-Y5 HydrophobicContact CG-CE2 3.82Å; Q3-D74 PolarHBondContact NE2-OD2 2.8Å; Q3-D74 PolarHBondContact OE1-OD2 2.73Å; Q3-L158 WeakPolarHBondContact O-CA 3.22Å; Q3-A159 WeakPolarHBondContact CB-O 3.37Å; Q3-A159 PolarHBondContact N-O 2.81Å; Q3-A159 VanDerWaalsContact N-O 3.14Å; Q3-A159 PolarHBondContact O-N 2.87Å
4	E	96.3	Very high	94.9	Very high	5 Å²	5	51.6 Å²	51.6	2%	0.023	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	133.8	171.5	179.2	171.7	-126.5	0	0	110.3	V6 R68 M85 R86 T88 A157 L158	E4-V6 HydrophobicContact CG-CB 4.04Å; E4-V6 HydrophobicContact CG-CG1 4.34Å; E4-R68 IonicContact OE1-CZ 2.66Å; E4-R68 IonicContact OE1-NH2 3.87Å; E4-R68 PolarHBondContact OE1-NH2 3.39Å; E4-R68 IonicContact OE2-NH2 2.99Å; E4-R68 PolarHBondContact OE2-NH2 3.2Å; E4-M85 WeakPolarHBondContact O-CA 3.09Å; E4-R86 HydrophobicContact CB-CG 4.21Å; E4-R86 PolarHBondContact N-O 2.89Å; E4-R86 PolarHBondContact O-N 3.33Å; E4-R86 IonicContact OE2-CZ 3.36Å; E4-R86 IonicContact OE2-NE 3.32Å; E4-R86 PolarHBondContact OE2-NE 3.21Å; E4-R86 IonicContact OE2-NH2 2.65Å; E4-R86 PolarHBondContact OE2-NH2 3.1Å; E4-T88 HydrophobicContact CB-CG2 3.78Å; E4-T88 WeakPolarHBondContact OE2-CG2 3.47Å; E4-A157 WeakPolarHBondContact CA-O 3.46Å; E4-L158 HydrophobicContact CB-CD2 3.71Å; E4-L158 HydrophobicContact CG-CD2 4.14Å
5	Y	96.4	Very high	94.9	Very high	4 Å²	4	52.3 Å²	52.3	2%	0.016	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	116.4	167.4	-58.1	-90.6	0	0	0	107.4	Q3 T83 I84 M85 S156 A157 A159 V166 A167	Q3-Y5 HydrophobicContact CB-CE2 4.2Å; Q3-Y5 HydrophobicContact CG-CE1 4.46Å; Q3-Y5 HydrophobicContact CG-CE2 3.82Å; Y5-T83 WeakPolarHBondContact CD1-OG1 3.29Å; Y5-I84 WeakPolarHBondContact CA-O 3.35Å; Y5-M85 HydrophobicContact CD1-CG 3.64Å; Y5-M85 HydrophobicContact CD1-SD 4.21Å; Y5-M85 HydrophobicContact CE1-CG 3.64Å; Y5-M85 HydrophobicContact CE1-SD 3.61Å; Y5-S156 CarbonylContact O-C 3.58Å; Y5-S156 VanDerWaalsContact O-CA 3.25Å; Y5-S156 WeakPolarHBondContact O-CA 3.36Å; Y5-A157 PolarHBondContact N-O 3.05Å; Y5-A157 PolarHBondContact O-N 2.97Å; Y5-A159 HydrophobicContact CD2-CB 4.38Å; Y5-A159 HydrophobicContact CE2-CB 3.86Å; Y5-V166 HydrophobicContact CD2-CB 4.16Å; Y5-V166 HydrophobicContact CD2-CG1 3.87Å; Y5-V166 HydrophobicContact CE2-CB 4.27Å; Y5-V166 HydrophobicContact CE2-CG1 4.42Å; Y5-V166 HydrophobicContact CG-CG1 4.4Å; Y5-A167 HydrophobicContact CD1-CB 3.51Å; Y5-A167 HydrophobicContact CE1-CB 3.9Å; Y5-A167 HydrophobicContact CG-CB 4.33Å
6	V	97.5	Very high	95	Very high	1 Å²	1	51.6 Å²	51.6	1%	0.006	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	142.9	-172.3	64.2	0	0	0	0	112.8	E4 F8 I84 I155	E4-V6 HydrophobicContact CG-CB 4.04Å; E4-V6 HydrophobicContact CG-CG1 4.34Å; V6-F8 HydrophobicContact CB-CE2 4.35Å; V6-F8 HydrophobicContact CB-CZ 4.43Å; V6-F8 HydrophobicContact CG1-CE2 3.76Å; V6-F8 HydrophobicContact CG1-CZ 4.05Å; V6-F8 HydrophobicContact CG2-CD2 4.31Å; V6-F8 HydrophobicContact CG2-CE1 3.98Å; V6-F8 HydrophobicContact CG2-CE2 3.67Å; V6-F8 HydrophobicContact CG2-CZ 3.47Å; V6-F8 VanDerWaalsContact CG2-CZ 3.47Å; V6-I84 HydrophobicContact CG1-CB 3.91Å; V6-I84 HydrophobicContact CG1-CG2 4.19Å; V6-I84 PolarHBondContact N-O 3.32Å; V6-I84 WeakPolarHBondContact O-CB 3.49Å; V6-I84 PolarHBondContact O-N 2.91Å; V6-I155 CarbonylContact C-O 3.55Å; V6-I155 VanDerWaalsContact CA-O 3.32Å; V6-I155 WeakPolarHBondContact CA-O 3.36Å
7	L	97.7	Very high	95.1	Very high	28 Å²	28	53.9 Å²	53.9	15%	0.147	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	144.7	168.9	-72.7	176.1	0	0	0	109.9	P82 T83 E154 I155 V170 A174	L7-P82 WeakPolarHBondContact CD2-O 3.27Å; L7-T83 HydrophobicContact CD1-CG2 4.13Å; L7-T83 HydrophobicContact CD2-CG2 4.4Å; L7-T83 HydrophobicContact CG-CG2 3.94Å; L7-E154 WeakPolarHBondContact O-CA 3.48Å; L7-I155 PolarHBondContact N-O 2.91Å; L7-I155 PolarHBondContact O-N 3.17Å; L7-V170 HydrophobicContact CB-CG1 4.49Å; L7-V170 HydrophobicContact CD1-CG1 4.02Å; L7-V170 HydrophobicContact CG-CG1 4.13Å; L7-A174 HydrophobicContact CD1-CB 3.8Å
8	F	97.2	Very high	95.1	Very high	91 Å²	91	56.2 Å²	56.2	40%	0.399	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	145.4	176.6	-57.5	-86.5	0	0	0	109.4	V6 I84 V153 E154	V6-F8 HydrophobicContact CB-CE2 4.35Å; V6-F8 HydrophobicContact CB-CZ 4.43Å; V6-F8 HydrophobicContact CG1-CE2 3.76Å; V6-F8 HydrophobicContact CG1-CZ 4.05Å; V6-F8 HydrophobicContact CG2-CD2 4.31Å; V6-F8 HydrophobicContact CG2-CE1 3.98Å; V6-F8 HydrophobicContact CG2-CE2 3.67Å; V6-F8 HydrophobicContact CG2-CZ 3.47Å; V6-F8 VanDerWaalsContact CG2-CZ 3.47Å; F8-I84 HydrophobicContact CD2-CD1 4.01Å; F8-I84 HydrophobicContact CE2-CD1 4.01Å; F8-V153 CarbonylContact C-O 3.57Å; F8-V153 WeakPolarHBondContact CA-O 3.48Å; F8-E154 HydrophobicContact CD1-CB 4.19Å; F8-E154 HydrophobicContact CD1-CG 3.78Å; F8-E154 HydrophobicContact CE1-CB 4.27Å; F8-E154 HydrophobicContact CE1-CG 3.92Å; F8-E154 WeakPolarHBondContact CE1-OE1 3.33Å
9	G	96.9	Very high	95.2	Very high	35 Å²	35	54.1 Å²	54.1	36%	0.361	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	-177.5	171.8	0	0	0	0	0	110	V153	G9-V153 PolarHBondContact N-O 3.48Å; G9-V153 PolarHBondContact O-N 3.26Å
10	S	96.8	Very high	95.3	Very high	84 Å²	84	52.4 Å²	52.4	59%	0.587	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-149.3	154	175.6	60.2	0	0	0	0	110.9	Y151	S10-Y151 CarbonylContact C-O 3.59Å; S10-Y151 WeakPolarHBondContact CA-O 3.5Å; S10-Y151 WeakPolarHBondContact CB-O 3.02Å
11	V	96.5	Very high	95.3	Very high	31 Å²	31	55.6 Å²	55.6	19%	0.188	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	144.5	172.5	-67.3	0	0	0	0	110.4	V15 L19 S150 Y151 V153	V11-V15 HydrophobicContact CB-CG2 3.91Å; V11-L19 HydrophobicContact CB-CD2 4.31Å; V11-L19 HydrophobicContact CG1-CD2 3.86Å; V11-L19 HydrophobicContact CG2-CB 4.43Å; V11-L19 HydrophobicContact CG2-CD2 3.51Å; V11-S150 CarbonylContact O-C 3.47Å; V11-S150 WeakPolarHBondContact O-CA 3.43Å; V11-S150 WeakPolarHBondContact O-CB 3.27Å; V11-Y151 PolarHBondContact N-O 2.88Å; V11-Y151 PolarHBondContact O-N 3.2Å; V11-V153 HydrophobicContact CG2-CG2 4.32Å
12	L	97.4	Very high	96.2	Very high	99 Å²	99	53.1 Å²	53.1	52%	0.518	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	153.2	175.2	-66.6	174.3	0	0	0	111.1	S14 V15 Y16	L12-S14 PolarHBondContact O-N 2.71Å; L12-S14 VanDerWaalsContact O-N 3.1Å; L12-V15 HydrophobicContact CB-CG2 4.44Å; L12-V15 WeakPolarHBondContact O-CG2 3.29Å; L12-V15 PolarHBondContact O-N 2.78Å; L12-Y16 PolarHBondContact O-N 3.07Å
13	D	97	Very high	96.6	Very high	58 Å²	58	51.6 Å²	51.6	31%	0.31	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-53.5	-33.9	177.7	-70.5	-14.8	0	0	0	112.6	V15 Y16 K131 K146 D149 Y151	D13-V15 VanDerWaalsContact C-N 3.29Å; D13-V15 PolarHBondContact O-N 3.4Å; D13-Y16 WeakPolarHBondContact O-CB 3.44Å; D13-Y16 PolarHBondContact O-N 3.09Å; D13-K131 IonicContact OD1-NZ 3.25Å; D13-K131 PolarHBondContact OD1-NZ 2.9Å; D13-K131 IonicContact OD2-NZ 2.73Å; D13-K131 PolarHBondContact OD2-NZ 2.77Å; D13-K146 IonicContact OD2-NZ 2.8Å; D13-D149 VanDerWaalsContact CG-O 3.31Å; D13-D149 PolarHBondContact N-O 3.48Å; D13-Y151 WeakPolarHBondContact OD1-CD2 3.28Å; D13-Y151 VanDerWaalsContact OD1-CE2 3.23Å; D13-Y151 WeakPolarHBondContact OD1-CE2 3.46Å
14	S	96.5	Very high	96.7	Very high	105 Å²	105	57 Å²	57	73%	0.734	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-65.7	-24.3	-179.3	55.3	0	0	0	0	114.8	L12	L12-S14 PolarHBondContact O-N 2.71Å; L12-S14 VanDerWaalsContact O-N 3.1Å
15	V	95.4	Very high	96.7	Very high	61 Å²	61	60 Å²	60	37%	0.37	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-113.6	5.7	-177.6	-61.3	0	0	0	0	112.7	V11 L12 D13 T17 L18 L19	V11-V15 HydrophobicContact CB-CG2 3.91Å; L12-V15 HydrophobicContact CB-CG2 4.44Å; L12-V15 WeakPolarHBondContact O-CG2 3.29Å; L12-V15 PolarHBondContact O-N 2.78Å; D13-V15 VanDerWaalsContact C-N 3.29Å; D13-V15 PolarHBondContact O-N 3.4Å; V15-T17 PolarHBondContact O-N 3.38Å; V15-L18 PolarHBondContact O-N 3.13Å; V15-L19 PolarHBondContact O-N 3.27Å
16	Y	96	Very high	96.8	Very high	42 Å²	42	61.9 Å²	61.9	17%	0.165	35%	0.352	C	S	.	.	H	α-helix	trans	-53.8	-49.6	-179.5	168.7	-110.8	0	0	0	112.6	L12 D13 L18 L19 L20 V129 Y151	L12-Y16 PolarHBondContact O-N 3.07Å; D13-Y16 WeakPolarHBondContact O-CB 3.44Å; D13-Y16 PolarHBondContact O-N 3.09Å; Y16-L18 VanDerWaalsContact C-N 3.33Å; Y16-L18 PolarHBondContact O-N 2.92Å; Y16-L19 WeakPolarHBondContact O-CB 3.41Å; Y16-L19 PolarHBondContact O-N 3.13Å; Y16-L20 HydrophobicContact CD1-CD1 4.39Å; Y16-L20 HydrophobicContact CD2-CG 4.29Å; Y16-L20 HydrophobicContact CE1-CD1 3.68Å; Y16-L20 HydrophobicContact CE1-CG 4.32Å; Y16-L20 HydrophobicContact CE2-CD1 3.93Å; Y16-L20 HydrophobicContact CE2-CD2 3.91Å; Y16-L20 HydrophobicContact CE2-CG 3.88Å; Y16-L20 VanDerWaalsContact CZ-CD1 3.43Å; Y16-L20 PolarHBondContact O-N 3.41Å; Y16-V129 HydrophobicContact CD2-CG1 3.97Å; Y16-V129 HydrophobicContact CE2-CG1 3.68Å; Y16-Y151 HydrophobicContact CD1-CE2 4.17Å; Y16-Y151 AromaticContact CD2-CD1 3.56Å; Y16-Y151 HydrophobicContact CD2-CD1 3.56Å; Y16-Y151 AromaticContact CD2-CD2 3.58Å; Y16-Y151 HydrophobicContact CD2-CD2 3.58Å; Y16-Y151 AromaticContact CD2-CE1 3.7Å; Y16-Y151 HydrophobicContact CD2-CE1 3.7Å; Y16-Y151 AromaticContact CD2-CE2 3.72Å; Y16-Y151 HydrophobicContact CD2-CE2 3.72Å; Y16-Y151 AromaticContact CD2-CG 3.5Å; Y16-Y151 HydrophobicContact CD2-CG 3.5Å; Y16-Y151 AromaticContact CD2-CZ 3.77Å; Y16-Y151 HydrophobicContact CE1-CE1 4.27Å; Y16-Y151 AromaticContact CE2-CD1 3.4Å; Y16-Y151 HydrophobicContact CE2-CD1 3.4Å; Y16-Y151 VanDerWaalsContact CE2-CD1 3.4Å; Y16-Y151 HydrophobicContact CE2-CD2 4.27Å; Y16-Y151 AromaticContact CE2-CE1 3.38Å; Y16-Y151 HydrophobicContact CE2-CE1 3.38Å; Y16-Y151 HydrophobicContact CE2-CE2 4.26Å; Y16-Y151 AromaticContact CE2-CG 3.88Å; Y16-Y151 HydrophobicContact CE2-CG 3.88Å; Y16-Y151 AromaticContact CE2-CZ 3.83Å; Y16-Y151 HydrophobicContact CG-CD1 4.44Å; Y16-Y151 AromaticContact CG-CD2 3.85Å; Y16-Y151 HydrophobicContact CG-CD2 3.85Å; Y16-Y151 HydrophobicContact CG-CE1 4.25Å; Y16-Y151 AromaticContact CG-CE2 3.64Å; Y16-Y151 HydrophobicContact CG-CE2 3.64Å; Y16-Y151 HydrophobicContact CG-CG 4.25Å; Y16-Y151 AromaticContact CG-CZ 3.85Å; Y16-Y151 AromaticContact CZ-CE1 3.67Å; Y16-Y151 AromaticContact CZ-CZ 3.95Å
17	T	95.9	Very high	96.8	Very high	90 Å²	90	62.4 Å²	62.4	55%	0.552	36%	0.357	S	S	*	.	H	α-helix	trans	-61.1	-42.7	-179.4	-52.4	0	0	0	0	111.7	V15 L19 L20 E21	V15-T17 PolarHBondContact O-N 3.38Å; T17-L19 VanDerWaalsContact C-N 3.35Å; T17-L19 PolarHBondContact O-N 3.25Å; T17-L20 PolarHBondContact O-N 3.06Å; T17-E21 WeakPolarHBondContact O-CG 3.27Å; T17-E21 PolarHBondContact O-N 2.97Å
18	L	95.9	Very high	96.8	Very high	96 Å²	96	63.7 Å²	63.7	50%	0.503	36%	0.364	S	S	.	.	H	α-helix	trans	-62.1	-42.2	177.5	179	64.3	0	0	0	111.6	V15 Y16 E21 R22	V15-L18 PolarHBondContact O-N 3.13Å; Y16-L18 VanDerWaalsContact C-N 3.33Å; Y16-L18 PolarHBondContact O-N 2.92Å; L18-E21 PolarHBondContact O-N 3.11Å; L18-R22 PolarHBondContact O-N 2.95Å
19	L	96.8	Very high	96.7	Very high	16 Å²	16	66 Å²	66	8%	0.084	39%	0.387	C	S	.	.	H	α-helix	trans	-60.5	-46.3	174.7	176.4	67.6	0	0	0	111	V11 V15 Y16 T17 E21 R22 I23 V129 V153 L177	V11-L19 HydrophobicContact CB-CD2 4.31Å; V11-L19 HydrophobicContact CG1-CD2 3.86Å; V11-L19 HydrophobicContact CG2-CB 4.43Å; V11-L19 HydrophobicContact CG2-CD2 3.51Å; V15-L19 PolarHBondContact O-N 3.27Å; Y16-L19 WeakPolarHBondContact O-CB 3.41Å; Y16-L19 PolarHBondContact O-N 3.13Å; T17-L19 VanDerWaalsContact C-N 3.35Å; T17-L19 PolarHBondContact O-N 3.25Å; L19-E21 VanDerWaalsContact C-N 3.34Å; L19-E21 PolarHBondContact O-N 3.24Å; L19-R22 PolarHBondContact O-N 3.18Å; L19-I23 HydrophobicContact CD1-CD1 3.98Å; L19-I23 HydrophobicContact CD1-CG1 4.18Å; L19-I23 HydrophobicContact CD2-CD1 4.21Å; L19-I23 HydrophobicContact CG-CD1 3.76Å; L19-I23 HydrophobicContact CG-CG1 4.35Å; L19-I23 WeakPolarHBondContact O-CG1 3.5Å; L19-I23 PolarHBondContact O-N 3.02Å; L19-V129 HydrophobicContact CD2-CG1 4.11Å; L19-V129 HydrophobicContact CD2-CG2 4.17Å; L19-V153 HydrophobicContact CD2-CG2 3.56Å; L19-L177 HydrophobicContact CD1-CB 4.25Å; L19-L177 HydrophobicContact CD1-CD1 4.29Å; L19-L177 HydrophobicContact CD1-CD2 4.41Å
20	L	97.1	Very high	96.6	Very high	20 Å²	20	74.5 Å²	74.5	11%	0.105	41%	0.409	C	S	.	.	H	α-helix	trans	-61.4	-41.8	180	-69.1	-167.9	0	0	0	112.4	Y16 T17 R22 I23 K24 F120 V129	Y16-L20 HydrophobicContact CD1-CD1 4.39Å; Y16-L20 HydrophobicContact CD2-CG 4.29Å; Y16-L20 HydrophobicContact CE1-CD1 3.68Å; Y16-L20 HydrophobicContact CE1-CG 4.32Å; Y16-L20 HydrophobicContact CE2-CD1 3.93Å; Y16-L20 HydrophobicContact CE2-CD2 3.91Å; Y16-L20 HydrophobicContact CE2-CG 3.88Å; Y16-L20 VanDerWaalsContact CZ-CD1 3.43Å; Y16-L20 PolarHBondContact O-N 3.41Å; T17-L20 PolarHBondContact O-N 3.06Å; L20-R22 VanDerWaalsContact C-N 3.33Å; L20-I23 PolarHBondContact O-N 2.79Å; L20-K24 WeakPolarHBondContact O-CB 3.46Å; L20-K24 VanDerWaalsContact O-CG 3.28Å; L20-K24 WeakPolarHBondContact O-CG 3.42Å; L20-K24 PolarHBondContact O-N 3.38Å; L20-F120 HydrophobicContact CD2-CE2 3.82Å; L20-F120 HydrophobicContact CD2-CZ 3.95Å; L20-V129 HydrophobicContact CD2-CB 4.17Å; L20-V129 HydrophobicContact CD2-CG1 4.28Å; L20-V129 HydrophobicContact CD2-CG2 4.24Å
21	E	96.1	Very high	96.6	Very high	120 Å²	120	73.5 Å²	73.5	56%	0.561	40%	0.401	S	S	*	.	H	α-helix	trans	-61	-43.9	175.8	-72.8	174.9	177	0	0	111.3	T17 L18 L19 K24 G25	T17-E21 WeakPolarHBondContact O-CG 3.27Å; T17-E21 PolarHBondContact O-N 2.97Å; L18-E21 PolarHBondContact O-N 3.11Å; L19-E21 VanDerWaalsContact C-N 3.34Å; L19-E21 PolarHBondContact O-N 3.24Å; E21-K24 PolarHBondContact O-N 3.05Å; E21-G25 PolarHBondContact O-N 3.45Å; E21-G25 VanDerWaalsContact O-N 3.1Å
22	R	96.9	Very high	96.6	Very high	84 Å²	84	78 Å²	78	32%	0.317	42%	0.421	S	S	.	.	H	α-helix	trans	-62.6	-45.8	176.5	-168.5	173.8	-70.9	-172.1	1.6	111.7	L18 L19 L20 K24 G25 L26 Q176 L177 K178 P179	L18-R22 PolarHBondContact O-N 2.95Å; L19-R22 PolarHBondContact O-N 3.18Å; L20-R22 VanDerWaalsContact C-N 3.33Å; R22-K24 VanDerWaalsContact C-N 3.35Å; R22-K24 PolarHBondContact O-N 3.42Å; R22-G25 PolarHBondContact O-N 3.35Å; R22-L26 HydrophobicContact CG-CD1 4.3Å; R22-L26 WeakPolarHBondContact O-CG 3.16Å; R22-L26 PolarHBondContact O-N 3.26Å; R22-Q176 WeakPolarHBondContact CD-O 3.48Å; R22-L177 HydrophobicContact CG-CD2 4.32Å; R22-K178 PolarHBondContact NH1-O 2.66Å; R22-P179 PolarHBondContact NH1-OXT 3.45Å; R22-P179 PolarHBondContact NH2-OXT 3.41Å
23	I	97.9	Very high	96.6	Very high	0 Å²	0	77 Å²	77	0%	0	43%	0.427	C	S	.	.	H	α-helix	trans	-61	-44.2	176.7	-66.4	167.6	0	0	0	110.5	L19 L20 G25 L26 A27 F120 I127 V129 L177	L19-I23 HydrophobicContact CD1-CD1 3.98Å; L19-I23 HydrophobicContact CD1-CG1 4.18Å; L19-I23 HydrophobicContact CD2-CD1 4.21Å; L19-I23 HydrophobicContact CG-CD1 3.76Å; L19-I23 HydrophobicContact CG-CG1 4.35Å; L19-I23 WeakPolarHBondContact O-CG1 3.5Å; L19-I23 PolarHBondContact O-N 3.02Å; L20-I23 PolarHBondContact O-N 2.79Å; I23-G25 PolarHBondContact O-N 3.12Å; I23-L26 PolarHBondContact O-N 2.87Å; I23-A27 HydrophobicContact CG2-CB 4.03Å; I23-A27 WeakPolarHBondContact O-CB 3.49Å; I23-A27 PolarHBondContact O-N 2.65Å; I23-F120 HydrophobicContact CG2-CB 3.8Å; I23-F120 HydrophobicContact CG2-CD1 3.77Å; I23-F120 HydrophobicContact CG2-CD2 3.67Å; I23-F120 HydrophobicContact CG2-CE1 4.24Å; I23-F120 HydrophobicContact CG2-CE2 4.15Å; I23-F120 HydrophobicContact CG2-CG 3.46Å; I23-F120 VanDerWaalsContact CG2-CG 3.46Å; I23-F120 HydrophobicContact CG2-CZ 4.41Å; I23-I127 HydrophobicContact CD1-CG2 4.1Å; I23-V129 HydrophobicContact CD1-CG2 3.53Å; I23-L177 HydrophobicContact CD1-CD1 4.33Å; I23-L177 HydrophobicContact CG1-CD1 4.06Å; I23-L177 HydrophobicContact CG1-CD2 3.76Å
24	K	97.2	Very high	96.7	Very high	127 Å²	127	75.3 Å²	75.3	55%	0.552	42%	0.417	S	S	*	.	H	α-helix	trans	-59.8	-32.6	177.6	-76.3	172.9	-179.7	178.6	0	113.4	L20 E21 R22 L26 F120	L20-K24 WeakPolarHBondContact O-CB 3.46Å; L20-K24 VanDerWaalsContact O-CG 3.28Å; L20-K24 WeakPolarHBondContact O-CG 3.42Å; L20-K24 PolarHBondContact O-N 3.38Å; E21-K24 PolarHBondContact O-N 3.05Å; R22-K24 VanDerWaalsContact C-N 3.35Å; R22-K24 PolarHBondContact O-N 3.42Å; K24-L26 VanDerWaalsContact C-N 3.3Å; K24-F120 HydrophobicContact CG-CE1 3.7Å; K24-F120 HydrophobicContact CG-CZ 4.4Å
25	G	96.6	Very high	96.7	Very high	69 Å²	69	71 Å²	71	71%	0.711	39%	0.386	S	S	*	.	H	α-helix	trans	-72.1	-21.7	174.8	0	0	0	0	0	114.2	E21 R22 I23	E21-G25 PolarHBondContact O-N 3.45Å; E21-G25 VanDerWaalsContact O-N 3.1Å; R22-G25 PolarHBondContact O-N 3.35Å; I23-G25 PolarHBondContact O-N 3.12Å
26	L	97.3	Very high	96.8	Very high	43 Å²	43	69.8 Å²	69.8	23%	0.225	38%	0.376	C	S	.	.	H	α-helix	trans	-105.5	-36.2	-175.1	-63.1	174.9	0	0	0	113.1	R22 I23 K24 K122 F173 Q176 L177	R22-L26 HydrophobicContact CG-CD1 4.3Å; R22-L26 WeakPolarHBondContact O-CG 3.16Å; R22-L26 PolarHBondContact O-N 3.26Å; I23-L26 PolarHBondContact O-N 2.87Å; K24-L26 VanDerWaalsContact C-N 3.3Å; L26-K122 VanDerWaalsContact O-CD 3.26Å; L26-K122 WeakPolarHBondContact O-CD 3.46Å; L26-K122 WeakPolarHBondContact O-CE 3.23Å; L26-K122 PolarHBondContact O-NZ 3.08Å; L26-F173 HydrophobicContact CB-CE2 3.81Å; L26-F173 HydrophobicContact CB-CZ 4.02Å; L26-Q176 HydrophobicContact CD1-CB 3.73Å; L26-Q176 VanDerWaalsContact CD2-OE1 3.27Å; L26-L177 HydrophobicContact CD1-CD2 3.85Å
27	A	97.5	Very high	96.9	Very high	12 Å²	12	67.8 Å²	67.8	10%	0.099	37%	0.369	C	S	.	.	S	Bend	trans	-74.8	173.4	-175.9	0	0	0	0	0	112.4	I23 F120 T121	I23-A27 HydrophobicContact CG2-CB 4.03Å; I23-A27 WeakPolarHBondContact O-CB 3.49Å; I23-A27 PolarHBondContact O-N 2.65Å; A27-F120 HydrophobicContact CB-CB 4.07Å; A27-F120 HydrophobicContact CB-CD1 4.41Å; A27-T121 WeakPolarHBondContact CB-O 3.31Å
28	D	97.9	Very high	97	Very high	55 Å²	55	64.7 Å²	64.7	29%	0.294	35%	0.348	S	S	.	.			trans	-68.7	157.7	168.3	-59.3	-30.2	0	0	0	110	R30 T121 K122 G123	D28-R30 PolarHBondContact O-N 3.32Å; D28-T121 WeakPolarHBondContact CB-O 3.08Å; D28-T121 PolarHBondContact N-O 2.96Å; D28-K122 WeakPolarHBondContact OD2-CA 3.45Å; D28-G123 PolarHBondContact OD2-N 3.38Å
29	P	95	Very high	97	Very high	138 Å²	138	60.5 Å²	60.5	90%	0.896	33%	0.326	S	S	*	.	S	Bend	trans	-63.9	-18.6	-167.7	-25.5	35	0	0	0	115.7
30	R	94.8	Very high	97	Very high	215 Å²	215	59.8 Å²	59.8	81%	0.811	32%	0.322	S	S	*	.			trans	-95.3	135	-175.6	-68.4	-174.4	-178.7	176.5	0.8	110.7	D28	D28-R30 PolarHBondContact O-N 3.32Å
31	S	96.3	Very high	96.9	Very high	62 Å²	62	59.2 Å²	59.2	43%	0.434	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	147.5	168.6	65.6	0	0	0	0	109.4	I119	S31-I119 CarbonylContact C-O 3.6Å; S31-I119 WeakPolarHBondContact CA-O 3.38Å
32	E	96.9	Very high	96.9	Very high	127 Å²	127	54.3 Å²	54.3	59%	0.593	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.2	126.3	-178.5	-176.2	173.5	-171.3	0	0	109.7	V118 I119	E32-V118 CarbonylContact O-C 3.58Å; E32-V118 WeakPolarHBondContact O-CA 3.45Å; E32-I119 PolarHBondContact N-O 2.83Å; E32-I119 PolarHBondContact O-N 3.45Å
33	A	98	Very high	96.7	Very high	78 Å²	78	52.8 Å²	52.8	65%	0.645	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.7	145	171.5	0	0	0	0	0	109.4	G117	A33-G117 WeakPolarHBondContact CA-O 3.33Å
34	F	97.8	Very high	96	Very high	22 Å²	22	62 Å²	62	10%	0.096	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	151.7	177.6	74.3	-84.3	0	0	0	111.7	E36 A115 K116 G117 I119	F34-E36 HydrophobicContact CD2-CB 4.31Å; F34-E36 HydrophobicContact CD2-CG 3.94Å; F34-A115 HydrophobicContact CE2-CB 4.04Å; F34-K116 CarbonylContact O-C 3.45Å; F34-K116 WeakPolarHBondContact O-CA 3.46Å; F34-G117 WeakPolarHBondContact CD1-O 3.28Å; F34-G117 VanDerWaalsContact CE1-C 3.41Å; F34-G117 PolarHBondContact N-O 3.02Å; F34-G117 PolarHBondContact O-N 3.12Å; F34-I119 HydrophobicContact CD1-CD1 4Å; F34-I119 HydrophobicContact CD1-CG1 3.44Å; F34-I119 VanDerWaalsContact CD1-CG1 3.44Å; F34-I119 HydrophobicContact CE1-CD1 4.44Å; F34-I119 HydrophobicContact CE1-CG1 3.69Å; F34-I119 HydrophobicContact CG-CD1 4.33Å; F34-I119 HydrophobicContact CG-CG1 4.25Å
35	S	98.1	Very high	95.2	Very high	13 Å²	13	58.1 Å²	58.1	9%	0.091	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	112	168.2	-168.6	0	0	0	0	108.3	L58 D59	S35-L58 WeakPolarHBondContact O-CB 3.35Å; S35-L58 PolarHBondContact O-N 3.43Å; S35-D59 VanDerWaalsContact CB-OD2 3.28Å; S35-D59 WeakPolarHBondContact CB-OD2 3.43Å; S35-D59 PolarHBondContact N-OD2 2.84Å
36	E	97.8	Very high	94.3	Very high	36 Å²	36	60.8 Å²	60.8	17%	0.168	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	139.6	-175.2	-72.2	-178.9	165.5	0	0	110.9	F34 R55 R56 V114 A115	F34-E36 HydrophobicContact CD2-CB 4.31Å; F34-E36 HydrophobicContact CD2-CG 3.94Å; E36-R55 IonicContact OE1-NH1 3.34Å; E36-R55 WeakPolarHBondContact OE2-CD 3.42Å; E36-R55 IonicContact OE2-CZ 3.83Å; E36-R55 IonicContact OE2-NE 2.64Å; E36-R55 IonicContact OE2-NH1 3.22Å; E36-R55 PolarHBondContact OE2-NH1 2.93Å; E36-R56 WeakPolarHBondContact CA-O 3.38Å; E36-V114 CarbonylContact O-C 3.58Å; E36-V114 VanDerWaalsContact O-CA 3.31Å; E36-V114 WeakPolarHBondContact O-CA 3.31Å; E36-A115 PolarHBondContact N-O 3.16Å; E36-A115 PolarHBondContact O-N 2.88Å
37	H	97.8	Very high	93.4	Very high	1 Å²	1	64.3 Å²	64.3	1%	0.005	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	120	166.4	178.7	-131.9	0	0	0	109	R55 R56 L58 E112 F113 V114 A141	H37-R55 WeakPolarHBondContact O-CA 3.49Å; H37-R56 HydrophobicContact CB-CG 3.78Å; H37-R56 PolarHBondContact N-O 3.14Å; H37-R56 PolarHBondContact ND1-NE 2.86Å; H37-R56 VanDerWaalsContact ND1-NE 3.18Å; H37-R56 PolarHBondContact ND1-NH2 3.07Å; H37-R56 VanDerWaalsContact ND1-NH2 3.17Å; H37-R56 PolarHBondContact O-N 3.02Å; H37-L58 HydrophobicContact CB-CD1 4.36Å; H37-L58 HydrophobicContact CB-CD2 3.92Å; H37-L58 HydrophobicContact CB-CG 4.2Å; H37-E112 IonicContact CE1-OE2 3.09Å; H37-E112 PolarHBondContact CE1-OE2 3.37Å; H37-E112 IonicContact NE2-OE2 3.05Å; H37-E112 PolarHBondContact NE2-OE2 3.35Å; H37-F113 PolarHBondContact CD2-O 2.78Å; H37-V114 HydrophobicContact CB-CG2 4.34Å; H37-A141 HydrophobicContact CB-CB 3.98Å
38	E	97.7	Very high	92.5	Very high	25 Å²	25	64.9 Å²	64.9	12%	0.117	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	122.9	-174.7	-175.1	162.1	161.7	0	0	110.8	V40 H53 V54 R55 E112 F113	E38-V40 HydrophobicContact CG-CG2 4.32Å; E38-H53 IonicContact OE1-CE1 2.67Å; E38-H53 IonicContact OE1-CG 2.8Å; E38-H53 IonicContact OE1-ND1 3.2Å; E38-H53 PolarHBondContact OE1-ND1 3.01Å; E38-V54 WeakPolarHBondContact CA-O 3.5Å; E38-R55 HydrophobicContact CB-CG 4.01Å; E38-R55 HydrophobicContact CG-CG 3.71Å; E38-R55 VanDerWaalsContact OE2-CD 3.26Å; E38-R55 WeakPolarHBondContact OE2-CD 3.21Å; E38-E112 CarbonylContact O-C 3.54Å; E38-E112 WeakPolarHBondContact O-CA 3.39Å; E38-E112 WeakPolarHBondContact O-CB 3.35Å; E38-F113 HydrophobicContact CB-CD1 4.34Å; E38-F113 HydrophobicContact CB-CD2 4.33Å; E38-F113 HydrophobicContact CB-CE1 3.89Å; E38-F113 HydrophobicContact CB-CE2 3.9Å; E38-F113 HydrophobicContact CB-CZ 3.68Å; E38-F113 HydrophobicContact CG-CE1 3.76Å; E38-F113 HydrophobicContact CG-CE2 4.33Å; E38-F113 HydrophobicContact CG-CZ 3.63Å; E38-F113 PolarHBondContact N-O 2.99Å; E38-F113 PolarHBondContact O-N 2.67Å; E38-F113 WeakPolarHBondContact OE2-CZ 3.37Å
39	L	96.6	Very high	91.9	Very high	7 Å²	7	66 Å²	66	4%	0.037	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	123.3	176.1	-52.6	90.5	0	0	0	108.4	F41 V54 M99 M109 E112	L39-F41 HydrophobicContact CB-CD2 4.19Å; L39-F41 HydrophobicContact CB-CE2 3.57Å; L39-F41 HydrophobicContact CB-CZ 4.45Å; L39-F41 HydrophobicContact CD2-CE2 4.32Å; L39-V54 HydrophobicContact CB-CB 4.39Å; L39-V54 PolarHBondContact N-O 2.79Å; L39-V54 PolarHBondContact O-N 3.3Å; L39-M99 HydrophobicContact CD2-CG 4.27Å; L39-M99 HydrophobicContact CD2-SD 4.02Å; L39-M109 HydrophobicContact CB-SD 4.32Å; L39-M109 HydrophobicContact CD2-SD 3.83Å; L39-M109 HydrophobicContact CG-SD 4.47Å; L39-E112 HydrophobicContact CB-CB 4.33Å; L39-E112 HydrophobicContact CG-CB 4.09Å
40	V	96.3	Very high	91.6	Very high	2 Å²	2	62 Å²	62	1%	0.012	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	120.4	-179.1	-177.1	0	0	0	0	109.6	E38 T51 W52 M109 Q110 Y111 F113	E38-V40 HydrophobicContact CG-CG2 4.32Å; V40-T51 HydrophobicContact CG1-CG2 3.51Å; V40-W52 WeakPolarHBondContact CA-O 3.4Å; V40-M109 CarbonylContact O-C 3.51Å; V40-M109 WeakPolarHBondContact O-CA 3.42Å; V40-Q110 PolarHBondContact O-N 3.4Å; V40-Y111 HydrophobicContact CB-CD1 4.32Å; V40-Y111 HydrophobicContact CB-CD2 4.12Å; V40-Y111 HydrophobicContact CB-CE1 3.94Å; V40-Y111 HydrophobicContact CB-CE2 3.75Å; V40-Y111 HydrophobicContact CB-CG 4.4Å; V40-Y111 HydrophobicContact CG1-CE1 3.9Å; V40-Y111 HydrophobicContact CG1-CE2 4.36Å; V40-Y111 HydrophobicContact CG2-CD2 4Å; V40-Y111 HydrophobicContact CG2-CE1 4.39Å; V40-Y111 HydrophobicContact CG2-CE2 3.37Å; V40-Y111 PolarHBondContact N-O 3.34Å; V40-F113 HydrophobicContact CG2-CE1 4.23Å
41	F	95.5	Very high	91.6	Very high	8 Å²	8	53.3 Å²	53.3	4%	0.035	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	139.2	-178.6	-75.6	-93.2	0	0	0	110.2	L39 T51 W52 V54 M99 L102 F107 R108 M109	L39-F41 HydrophobicContact CB-CD2 4.19Å; L39-F41 HydrophobicContact CB-CE2 3.57Å; L39-F41 HydrophobicContact CB-CZ 4.45Å; L39-F41 HydrophobicContact CD2-CE2 4.32Å; F41-T51 CarbonylContact O-C 3.53Å; F41-T51 VanDerWaalsContact O-CA 3.31Å; F41-T51 WeakPolarHBondContact O-CA 3.41Å; F41-W52 HydrophobicContact CB-CB 4.37Å; F41-W52 PolarHBondContact N-O 2.95Å; F41-W52 PolarHBondContact O-N 2.77Å; F41-V54 HydrophobicContact CD2-CB 4.39Å; F41-V54 HydrophobicContact CD2-CG2 3.69Å; F41-V54 HydrophobicContact CE2-CB 4.37Å; F41-V54 HydrophobicContact CE2-CG2 3.99Å; F41-M99 HydrophobicContact CZ-CG 4.25Å; F41-L102 HydrophobicContact CD1-CB 4.13Å; F41-L102 HydrophobicContact CD1-CD1 4.28Å; F41-L102 HydrophobicContact CD2-CD1 3.75Å; F41-L102 HydrophobicContact CE1-CB 4.2Å; F41-L102 HydrophobicContact CE1-CD1 4.38Å; F41-L102 HydrophobicContact CE2-CD1 3.85Å; F41-L102 HydrophobicContact CG-CD1 3.97Å; F41-L102 HydrophobicContact CZ-CD1 4.19Å; F41-F107 HydrophobicContact CB-CB 4.09Å; F41-F107 HydrophobicContact CB-CD1 4.41Å; F41-F107 HydrophobicContact CD1-CB 4.12Å; F41-R108 WeakPolarHBondContact CA-O 3.5Å; F41-M109 HydrophobicContact CD1-CB 4.11Å; F41-M109 HydrophobicContact CE1-CB 3.75Å; F41-M109 HydrophobicContact CE1-CG 4.5Å; F41-M109 HydrophobicContact CZ-CB 4.06Å; F41-M109 HydrophobicContact CZ-CG 4.35Å; F41-M109 HydrophobicContact CZ-SD 4.47Å
42	A	94.9	Very high	91.5	Very high	16 Å²	16	52.8 Å²	52.8	13%	0.132	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	146.3	174	0	0	0	0	0	111.7	I50 R108 Q110	A42-I50 VanDerWaalsContact CA-O 3.27Å; A42-I50 WeakPolarHBondContact CA-O 3.25Å; A42-R108 PolarHBondContact N-O 3.31Å; A42-R108 PolarHBondContact O-N 3.21Å; A42-Q110 HydrophobicContact CB-CG 3.58Å
43	N	92.1	Very high	91.5	Very high	53 Å²	53	48.2 Å²	48.2	28%	0.283	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	145.3	167.5	-167.6	-9.7	0	0	0	108.9	P49 I50 L105 G106 F107	N43-P49 CarbonylContact O-C 3.56Å; N43-P49 WeakPolarHBondContact O-CA 3.32Å; N43-I50 PolarHBondContact N-O 2.8Å; N43-I50 PolarHBondContact O-N 3.14Å; N43-L105 PolarHBondContact ND2-O 3.43Å; N43-G106 PolarHBondContact ND2-O 3.31Å; N43-F107 HydrophobicContact CB-CD1 3.43Å; N43-F107 VanDerWaalsContact CB-CD1 3.43Å; N43-F107 HydrophobicContact CB-CD2 4.43Å; N43-F107 HydrophobicContact CB-CE1 3.41Å; N43-F107 VanDerWaalsContact CB-CE1 3.41Å; N43-F107 HydrophobicContact CB-CE2 4.45Å; N43-F107 HydrophobicContact CB-CG 3.94Å; N43-F107 HydrophobicContact CB-CZ 3.96Å
44	K	84.4	Confident	91.5	Very high	193 Å²	193	44.6 Å²	44.6	84%	0.839	25%	0.253	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80	123.4	176.9	-66.2	-178.4	178.9	-179.5	0	108.9
45	S	80.9	Confident	91.4	Very high	45 Å²	45	45.5 Å²	45.5	32%	0.315	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	164.2	169	177.9	0	0	0	0	110.4	T47 G48	S45-T47 PolarHBondContact O-N 2.68Å; S45-G48 WeakPolarHBondContact CA-O 3.22Å; S45-G48 WeakPolarHBondContact CB-O 3.46Å; S45-G48 PolarHBondContact N-O 3.34Å; S45-G48 PolarHBondContact O-N 3.47Å; S45-G48 VanDerWaalsContact O-N 3.15Å
46	S	76.5	Confident	91.3	Very high	126 Å²	126	48.9 Å²	48.9	88%	0.881	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-27.1	173.3	52.2	0	0	0	0	113
47	T	78.2	Confident	91.3	Very high	117 Å²	117	48.3 Å²	48.3	72%	0.718	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.6	9	179.7	61.1	0	0	0	0	113.7	S45	S45-T47 PolarHBondContact O-N 2.68Å
48	G	79.2	Confident	91.2	Very high	24 Å²	24	51 Å²	51	25%	0.247	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	115.5	179.5	-175.2	0	0	0	0	0	113.4	S45	S45-G48 WeakPolarHBondContact CA-O 3.22Å; S45-G48 WeakPolarHBondContact CB-O 3.46Å; S45-G48 PolarHBondContact N-O 3.34Å; S45-G48 PolarHBondContact O-N 3.47Å; S45-G48 VanDerWaalsContact O-N 3.15Å
49	P	84.7	Confident	91.1	Very high	77 Å²	77	53.8 Å²	53.8	50%	0.5	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	137.5	179.1	27.8	-33.1	0	0	0	111.5	N43	N43-P49 CarbonylContact O-C 3.56Å; N43-P49 WeakPolarHBondContact O-CA 3.32Å
50	I	90.2	Very high	91.1	Very high	54 Å²	54	59.1 Å²	59.1	28%	0.277	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	120.4	169.1	-62.2	175.5	0	0	0	107	A42 N43 Y69 F107	A42-I50 VanDerWaalsContact CA-O 3.27Å; A42-I50 WeakPolarHBondContact CA-O 3.25Å; N43-I50 PolarHBondContact N-O 2.8Å; N43-I50 PolarHBondContact O-N 3.14Å; I50-Y69 HydrophobicContact CG2-CD2 4.16Å; I50-Y69 HydrophobicContact CG2-CE2 3.94Å; I50-F107 HydrophobicContact CB-CE1 4.19Å; I50-F107 HydrophobicContact CG2-CE1 3.87Å; I50-F107 HydrophobicContact CG2-CZ 4.04Å
51	T	93.3	Very high	90.8	Very high	33 Å²	33	64.1 Å²	64.1	20%	0.202	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	131.8	-177.1	-54.5	0	0	0	0	111.3	V40 F41 V70	V40-T51 HydrophobicContact CG1-CG2 3.51Å; F41-T51 CarbonylContact O-C 3.53Å; F41-T51 VanDerWaalsContact O-CA 3.31Å; F41-T51 WeakPolarHBondContact O-CA 3.41Å; T51-V70 PolarHBondContact O-N 3.47Å
52	W	94.8	Very high	90.7	Very high	51 Å²	51	71 Å²	71	19%	0.193	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	128.8	171.6	-76.7	94.7	0	0	0	110.2	V40 F41 L67 R68 Y69 F107	V40-W52 WeakPolarHBondContact CA-O 3.4Å; F41-W52 HydrophobicContact CB-CB 4.37Å; F41-W52 PolarHBondContact N-O 2.95Å; F41-W52 PolarHBondContact O-N 2.77Å; W52-L67 HydrophobicContact CE3-CB 4.03Å; W52-L67 HydrophobicContact CZ3-CB 3.97Å; W52-R68 WeakPolarHBondContact CA-O 3.49Å; W52-R68 VanDerWaalsContact CE3-C 3.41Å; W52-Y69 VanDerWaalsContact CE3-N 3.32Å; W52-Y69 VanDerWaalsContact CZ3-N 3.3Å; W52-F107 AromaticContact CD1-CE1 3.4Å; W52-F107 VanDerWaalsContact CD1-CE1 3.4Å; W52-F107 AromaticContact CD1-CZ 3.56Å; W52-F107 AromaticContact NE1-CE1 3.94Å; W52-F107 AromaticContact NE1-CZ 3.64Å
53	H	97	Very high	90.7	Very high	31 Å²	31	72.3 Å²	72.3	14%	0.144	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	117.5	169.6	-65.8	-119.1	0	0	0	107.7	E38 R68	E38-H53 IonicContact OE1-CE1 2.67Å; E38-H53 IonicContact OE1-CG 2.8Å; E38-H53 IonicContact OE1-ND1 3.2Å; E38-H53 PolarHBondContact OE1-ND1 3.01Å; H53-R68 HydrophobicContact CB-CB 4.24Å; H53-R68 PolarHBondContact N-O 3.15Å; H53-R68 PolarHBondContact O-N 2.84Å
54	V	97.1	Very high	90.9	Very high	2 Å²	2	71.7 Å²	71.7	1%	0.012	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	109.9	-178.9	-177.9	0	0	0	0	107.2	E38 L39 F41 F65 L67 M98 L102	E38-V54 WeakPolarHBondContact CA-O 3.5Å; L39-V54 HydrophobicContact CB-CB 4.39Å; L39-V54 PolarHBondContact N-O 2.79Å; L39-V54 PolarHBondContact O-N 3.3Å; F41-V54 HydrophobicContact CD2-CB 4.39Å; F41-V54 HydrophobicContact CD2-CG2 3.69Å; F41-V54 HydrophobicContact CE2-CB 4.37Å; F41-V54 HydrophobicContact CE2-CG2 3.99Å; V54-F65 HydrophobicContact CG1-CD1 3.83Å; V54-F65 HydrophobicContact CG1-CE1 4.47Å; V54-L67 HydrophobicContact CG1-CD1 4.06Å; V54-L67 HydrophobicContact CG2-CG 4.36Å; V54-M98 HydrophobicContact CG1-CG 3.72Å; V54-L102 HydrophobicContact CG2-CD1 3.44Å; V54-L102 VanDerWaalsContact CG2-CD1 3.44Å
55	R	97	Very high	91.5	Very high	41 Å²	41	64.5 Å²	64.5	16%	0.155	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	139.8	-177.4	-60.7	-176.2	-62.4	146.8	0.3	110.3	E36 H37 E38 F65 H66	E36-R55 IonicContact OE1-NH1 3.34Å; E36-R55 WeakPolarHBondContact OE2-CD 3.42Å; E36-R55 IonicContact OE2-CZ 3.83Å; E36-R55 IonicContact OE2-NE 2.64Å; E36-R55 IonicContact OE2-NH1 3.22Å; E36-R55 PolarHBondContact OE2-NH1 2.93Å; H37-R55 WeakPolarHBondContact O-CA 3.49Å; E38-R55 HydrophobicContact CB-CG 4.01Å; E38-R55 HydrophobicContact CG-CG 3.71Å; E38-R55 VanDerWaalsContact OE2-CD 3.26Å; E38-R55 WeakPolarHBondContact OE2-CD 3.21Å; R55-F65 WeakPolarHBondContact O-CA 3.33Å; R55-H66 HydrophobicContact CB-CB 4.27Å; R55-H66 PolarHBondContact N-O 2.96Å; R55-H66 PolarHBondContact NE-ND1 2.8Å; R55-H66 PolarHBondContact NH2-CE1 3.03Å; R55-H66 PolarHBondContact NH2-ND1 3.42Å; R55-H66 PolarHBondContact NH2-NE2 2.83Å; R55-H66 PolarHBondContact O-N 2.82Å
56	R	95.9	Very high	92.3	Very high	84 Å²	84	64.1 Å²	64.1	32%	0.317	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	141.6	166.5	64.1	173.8	-179	-175.7	-7.3	109.5	E36 H37 F65 G139	E36-R56 WeakPolarHBondContact CA-O 3.38Å; H37-R56 HydrophobicContact CB-CG 3.78Å; H37-R56 PolarHBondContact N-O 3.14Å; H37-R56 PolarHBondContact ND1-NE 2.86Å; H37-R56 VanDerWaalsContact ND1-NE 3.18Å; H37-R56 PolarHBondContact ND1-NH2 3.07Å; H37-R56 VanDerWaalsContact ND1-NH2 3.17Å; H37-R56 PolarHBondContact O-N 3.02Å; R56-F65 HydrophobicContact CB-CD1 4.01Å; R56-F65 HydrophobicContact CB-CE1 3.95Å; R56-F65 HydrophobicContact CG-CE1 4.5Å; R56-G139 PolarHBondContact NH2-O 3.02Å; R56-G139 VanDerWaalsContact NH2-O 3.14Å
57	S	96.7	Very high	93.3	Very high	24 Å²	24	58.7 Å²	58.7	17%	0.168	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	135	170.6	-177.3	0	0	0	0	109.6	D59 H60	S57-D59 PolarHBondContact OG-N 3.23Å; S57-H60 PolarHBondContact OG-N 2.96Å
58	L	96.7	Very high	94.1	Very high	57 Å²	57	54.2 Å²	54.2	30%	0.298	29%	0.293	S	S	.	.	S	Bend	trans	-88.2	-21.9	169.4	-62.5	177.8	0	0	0	111.5	S35 H37 V114 A141	S35-L58 WeakPolarHBondContact O-CB 3.35Å; S35-L58 PolarHBondContact O-N 3.43Å; H37-L58 HydrophobicContact CB-CD1 4.36Å; H37-L58 HydrophobicContact CB-CD2 3.92Å; H37-L58 HydrophobicContact CB-CG 4.2Å; L58-V114 HydrophobicContact CD1-CG1 3.76Å; L58-V114 HydrophobicContact CD1-CG2 3.98Å; L58-A141 HydrophobicContact CD1-CB 4.35Å; L58-A141 HydrophobicContact CD2-CB 3.87Å
59	D	95.8	Very high	94.9	Very high	85 Å²	85	55.8 Å²	55.8	46%	0.455	29%	0.291	S	S	.	.	S	Bend	trans	-82.4	-27	177	-56.1	-47.9	0	0	0	111.8	S35 S57	S35-D59 VanDerWaalsContact CB-OD2 3.28Å; S35-D59 WeakPolarHBondContact CB-OD2 3.43Å; S35-D59 PolarHBondContact N-OD2 2.84Å; S57-D59 PolarHBondContact OG-N 3.23Å
60	H	95.5	Very high	95.3	Very high	119 Å²	119	52.9 Å²	52.9	55%	0.551	27%	0.272	S	S	*	.			trans	-129.3	78.2	178.7	-55.8	-55.3	0	0	0	110.8	S57 D62 A63	S57-H60 PolarHBondContact OG-N 2.96Å; H60-D62 PolarHBondContact O-N 2.92Å; H60-D62 VanDerWaalsContact O-N 3.12Å; H60-A63 HydrophobicContact CB-CB 3.98Å; H60-A63 WeakPolarHBondContact O-CB 3.45Å; H60-A63 PolarHBondContact O-N 2.96Å
61	P	91	Very high	95.3	Very high	106 Å²	106	50.6 Å²	50.6	69%	0.688	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-24.4	-175.6	-25.8	35.8	0	0	0	115	A63	P61-A63 VanDerWaalsContact C-N 3.33Å
62	D	92.8	Very high	95.1	Very high	154 Å²	154	53.3 Å²	53.3	82%	0.824	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-8.2	177.7	-60	-41.3	0	0	0	113.4	H60	H60-D62 PolarHBondContact O-N 2.92Å; H60-D62 VanDerWaalsContact O-N 3.12Å
63	A	95.4	Very high	94.9	Very high	42 Å²	42	55 Å²	55	35%	0.347	29%	0.293	S	S	.	.	S	Bend	trans	-65.2	147.3	177.3	0	0	0	0	0	110.9	H60 P61	H60-A63 HydrophobicContact CB-CB 3.98Å; H60-A63 WeakPolarHBondContact O-CB 3.45Å; H60-A63 PolarHBondContact O-N 2.96Å; P61-A63 VanDerWaalsContact C-N 3.33Å
64	P	96.9	Very high	94.4	Very high	40 Å²	40	56 Å²	56	26%	0.26	30%	0.299	S	S	.	.	P	Polyproline II helix	trans	-61	152.4	175.3	26.2	-34.1	0	0	0	111.2	L92	P64-L92 HydrophobicContact CB-CB 4.12Å; P64-L92 HydrophobicContact CG-CB 4.03Å; P64-L92 HydrophobicContact CG-CD1 4.24Å; P64-L92 HydrophobicContact CG-CD2 4.45Å; P64-L92 HydrophobicContact CG-CG 4.47Å
65	F	96.7	Very high	93.7	Very high	42 Å²	42	61.1 Å²	61.1	18%	0.184	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	140.3	166.4	-71.3	-87.5	0	0	0	109.8	V54 R55 R56 L67 L92 C93 S95 M98	V54-F65 HydrophobicContact CG1-CD1 3.83Å; V54-F65 HydrophobicContact CG1-CE1 4.47Å; R55-F65 WeakPolarHBondContact O-CA 3.33Å; R56-F65 HydrophobicContact CB-CD1 4.01Å; R56-F65 HydrophobicContact CB-CE1 3.95Å; R56-F65 HydrophobicContact CG-CE1 4.5Å; F65-L67 HydrophobicContact CB-CD1 3.62Å; F65-L92 VanDerWaalsContact O-CA 3.32Å; F65-L92 WeakPolarHBondContact O-CA 3.39Å; F65-C93 WeakPolarHBondContact CB-O 3.28Å; F65-C93 PolarHBondContact N-O 3.1Å; F65-C93 PolarHBondContact O-N 3.36Å; F65-S95 WeakPolarHBondContact CE2-O 3.31Å; F65-M98 HydrophobicContact CB-CE 3.93Å; F65-M98 HydrophobicContact CD1-CB 4.46Å; F65-M98 HydrophobicContact CD1-CG 4.24Å; F65-M98 HydrophobicContact CD2-CB 4.34Å; F65-M98 HydrophobicContact CD2-CE 3.83Å; F65-M98 HydrophobicContact CE1-CB 4.15Å; F65-M98 HydrophobicContact CE1-CG 4.36Å; F65-M98 HydrophobicContact CE2-CB 4.04Å; F65-M98 HydrophobicContact CG-CE 3.92Å; F65-M98 HydrophobicContact CG-CG 4.33Å; F65-M98 HydrophobicContact CZ-CB 3.94Å
66	H	97.2	Very high	92.9	Very high	37 Å²	37	61.6 Å²	61.6	17%	0.171	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	108.5	170.4	176.6	-76.6	0	0	0	109.6	R55 D90 L92	R55-H66 HydrophobicContact CB-CB 4.27Å; R55-H66 PolarHBondContact N-O 2.96Å; R55-H66 PolarHBondContact NE-ND1 2.8Å; R55-H66 PolarHBondContact NH2-CE1 3.03Å; R55-H66 PolarHBondContact NH2-ND1 3.42Å; R55-H66 PolarHBondContact NH2-NE2 2.83Å; R55-H66 PolarHBondContact O-N 2.82Å; H66-D90 IonicContact CE1-OD1 3.89Å; H66-D90 PolarHBondContact CE1-OD1 3.46Å; H66-D90 IonicContact NE2-OD1 3.61Å; H66-D90 PolarHBondContact NE2-OD1 3.21Å; H66-L92 HydrophobicContact CB-CD2 4.02Å
67	L	96.7	Very high	91.7	Very high	13 Å²	13	66.2 Å²	66.2	7%	0.068	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	120.8	177.6	-86.3	60.4	0	0	0	108.9	W52 V54 F65 D90 C91 C93 M98	W52-L67 HydrophobicContact CE3-CB 4.03Å; W52-L67 HydrophobicContact CZ3-CB 3.97Å; V54-L67 HydrophobicContact CG1-CD1 4.06Å; V54-L67 HydrophobicContact CG2-CG 4.36Å; F65-L67 HydrophobicContact CB-CD1 3.62Å; L67-D90 CarbonylContact O-C 3.53Å; L67-D90 WeakPolarHBondContact O-CA 3.13Å; L67-C91 VanDerWaalsContact CB-SG 3.54Å; L67-C91 PolarHBondContact N-O 2.8Å; L67-C91 PolarHBondContact O-N 3.03Å; L67-C93 WeakPolarHBondContact CD1-SG 3.47Å; L67-M98 HydrophobicContact CD1-CE 3.86Å; L67-M98 HydrophobicContact CD1-SD 4.12Å; L67-M98 HydrophobicContact CD2-CE 4.38Å; L67-M98 HydrophobicContact CD2-SD 4.14Å
68	R	96.6	Very high	90.8	Very high	22 Å²	22	70.5 Å²	70.5	8%	0.083	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	116.5	177.9	-175.6	176.2	-172.9	103.8	-8	110.9	E4 W52 H53 V70 M89 D90	E4-R68 IonicContact OE1-CZ 2.66Å; E4-R68 IonicContact OE1-NH2 3.87Å; E4-R68 PolarHBondContact OE1-NH2 3.39Å; E4-R68 IonicContact OE2-NH2 2.99Å; E4-R68 PolarHBondContact OE2-NH2 3.2Å; W52-R68 WeakPolarHBondContact CA-O 3.49Å; W52-R68 VanDerWaalsContact CE3-C 3.41Å; H53-R68 HydrophobicContact CB-CB 4.24Å; H53-R68 PolarHBondContact N-O 3.15Å; H53-R68 PolarHBondContact O-N 2.84Å; R68-V70 HydrophobicContact CG-CG2 3.91Å; R68-M89 CarbonylContact C-O 3.59Å; R68-M89 WeakPolarHBondContact CA-O 3.31Å; R68-D90 WeakPolarHBondContact CD-OD1 3.33Å; R68-D90 WeakPolarHBondContact CG-OD1 3.4Å; R68-D90 IonicContact CZ-OD1 3.55Å; R68-D90 IonicContact NE-OD1 3.54Å; R68-D90 IonicContact NH1-OD1 2.75Å; R68-D90 PolarHBondContact NH1-OD1 3.01Å; R68-D90 IonicContact NH1-OD2 2.55Å; R68-D90 PolarHBondContact NH1-OD2 3.43Å
69	Y	94.7	Very high	89.9	Confident	57 Å²	57	77 Å²	77	22%	0.224	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	131.8	162.9	168.9	-106.6	0	0	0	109.1	M1 I50 W52 G71 T88 M89	M1-Y69 HydrophobicContact CE-CD1 4.44Å; M1-Y69 HydrophobicContact CE-CE1 4.21Å; M1-Y69 HydrophobicContact SD-CE1 4.46Å; I50-Y69 HydrophobicContact CG2-CD2 4.16Å; I50-Y69 HydrophobicContact CG2-CE2 3.94Å; W52-Y69 VanDerWaalsContact CE3-N 3.32Å; W52-Y69 VanDerWaalsContact CZ3-N 3.3Å; Y69-G71 WeakPolarHBondContact OH-CA 3.46Å; Y69-T88 VanDerWaalsContact O-CA 3.31Å; Y69-T88 WeakPolarHBondContact O-CA 3.21Å; Y69-M89 HydrophobicContact CD1-CB 4.44Å; Y69-M89 PolarHBondContact N-O 3.44Å; Y69-M89 PolarHBondContact O-N 3.06Å
70	V	92.8	Very high	89.4	Confident	16 Å²	16	81 Å²	81	10%	0.097	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	110	174.8	-177.7	0	0	0	0	108	T51 R68	T51-V70 PolarHBondContact O-N 3.47Å; R68-V70 HydrophobicContact CG-CG2 3.91Å
71	G	90.7	Very high	89.1	Confident	7 Å²	7	76.7 Å²	76.7	7%	0.072	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	164.2	175.4	0	0	0	0	0	112.3	Y69 K87	Y69-G71 WeakPolarHBondContact OH-CA 3.46Å; G71-K87 WeakPolarHBondContact CA-O 3.41Å; G71-K87 PolarHBondContact N-O 2.83Å
72	N	89.8	Confident	89.3	Confident	90 Å²	90	73.5 Å²	73.5	48%	0.481	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	148.5	170.9	-67.9	-37	0	0	0	110.2	D74	N72-D74 PolarHBondContact O-N 3.24Å
73	P	90.2	Very high	89.4	Confident	86 Å²	86	66.8 Å²	66.8	56%	0.558	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-53.8	129.1	170.5	-26.9	36	0	0	0	111.2	I84 M85	P73-I84 HydrophobicContact CB-CG2 4.08Å; P73-I84 HydrophobicContact CG-CG2 4.1Å; P73-M85 CarbonylContact C-O 3.47Å; P73-M85 WeakPolarHBondContact CA-O 3.11Å
74	D	87.1	Confident	89.3	Confident	51 Å²	51	68 Å²	68	27%	0.273	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-66.3	133.8	174.1	-68.6	-41.2	0	0	0	108.6	Q3 N72 D76 M85	Q3-D74 PolarHBondContact NE2-OD2 2.8Å; Q3-D74 PolarHBondContact OE1-OD2 2.73Å; N72-D74 PolarHBondContact O-N 3.24Å; D74-D76 PolarHBondContact O-N 3.25Å; D74-M85 HydrophobicContact CB-CB 4.25Å; D74-M85 PolarHBondContact N-O 3.39Å
75	P	81.5	Confident	89.2	Confident	110 Å²	110	67.9 Å²	67.9	71%	0.714	35%	0.347	S	S	*	.	P	Polyproline II helix	trans	-64.6	125	177.4	26.6	-32.6	0	0	0	109.5	E77	P75-E77 PolarHBondContact O-N 2.64Å
76	D	80.1	Confident	89	Confident	52 Å²	52	67.9 Å²	67.9	28%	0.278	35%	0.346	S	S	.	.			trans	-94.4	91.6	169.5	177.4	12.6	0	0	0	109.2	D74 N78 K79 K80 C81 M85	D74-D76 PolarHBondContact O-N 3.25Å; D76-N78 PolarHBondContact O-N 2.86Å; D76-N78 VanDerWaalsContact O-N 3.08Å; D76-N78 PolarHBondContact OD1-N 2.88Å; D76-K79 VanDerWaalsContact CG-N 3.35Å; D76-K79 PolarHBondContact O-N 2.77Å; D76-K79 PolarHBondContact OD1-N 3Å; D76-K79 WeakPolarHBondContact OD2-CA 3.42Å; D76-K79 PolarHBondContact OD2-N 3.34Å; D76-K80 PolarHBondContact OD2-N 3.27Å; D76-C81 HydrophobicContact CB-CB 4.35Å; D76-C81 WeakPolarHBondContact OD2-CA 3.48Å; D76-C81 WeakPolarHBondContact OD2-CB 3.41Å; D76-C81 PolarHBondContact OD2-N 3.02Å; D76-M85 HydrophobicContact CB-CE 4.39Å
77	E	71.6	Confident	88.8	Confident	180 Å²	180	70.8 Å²	70.8	84%	0.841	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	-31.5	-176.1	-65.1	-175.9	169.5	0	0	113	P75	P75-E77 PolarHBondContact O-N 2.64Å
78	N	77.3	Confident	88.7	Confident	115 Å²	115	70.2 Å²	70.2	62%	0.615	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.8	-2.9	-177	-67.9	-59.4	0	0	0	113.8	D76 K80	D76-N78 PolarHBondContact O-N 2.86Å; D76-N78 VanDerWaalsContact O-N 3.08Å; D76-N78 PolarHBondContact OD1-N 2.88Å; N78-K80 HydrophobicContact CB-CB 4.46Å; N78-K80 HydrophobicContact CB-CD 3.95Å; N78-K80 HydrophobicContact CB-CG 3.92Å; N78-K80 PolarHBondContact O-N 2.77Å; N78-K80 VanDerWaalsContact O-N 3.17Å
79	K	77.1	Confident	88.7	Confident	192 Å²	192	73.2 Å²	73.2	84%	0.835	37%	0.371	S	S	*	.	S	Bend	trans	49.5	35.5	-173.7	-60.4	-177.5	179.3	179	0	113.4	D76	D76-K79 VanDerWaalsContact CG-N 3.35Å; D76-K79 PolarHBondContact O-N 2.77Å; D76-K79 PolarHBondContact OD1-N 3Å; D76-K79 WeakPolarHBondContact OD2-CA 3.42Å; D76-K79 PolarHBondContact OD2-N 3.34Å
80	K	85.7	Confident	88.7	Confident	169 Å²	169	73.2 Å²	73.2	74%	0.735	38%	0.375	S	S	*	.			trans	-97.5	-23	-178.8	-72.8	-179.1	-178.7	177.9	0	112.9	D76 N78 P82	D76-K80 PolarHBondContact OD2-N 3.27Å; N78-K80 HydrophobicContact CB-CB 4.46Å; N78-K80 HydrophobicContact CB-CD 3.95Å; N78-K80 HydrophobicContact CB-CG 3.92Å; N78-K80 PolarHBondContact O-N 2.77Å; N78-K80 VanDerWaalsContact O-N 3.17Å; K80-P82 WeakPolarHBondContact O-CD 3.45Å
81	C	90.1	Very high	88.8	Confident	30 Å²	30	75.1 Å²	75.1	20%	0.203	39%	0.388	C	S	.	.			trans	-70.9	118.8	178.9	-175.8	0	0	0	0	109.4	D76 T83 M85	D76-C81 HydrophobicContact CB-CB 4.35Å; D76-C81 WeakPolarHBondContact OD2-CA 3.48Å; D76-C81 WeakPolarHBondContact OD2-CB 3.41Å; D76-C81 PolarHBondContact OD2-N 3.02Å; C81-T83 PolarHBondContact O-N 2.93Å; C81-T83 PolarHBondContact SG-O 2.96Å; C81-T83 PolarHBondContact SG-OG1 2.86Å; C81-M85 HydrophobicContact CB-CE 3.76Å; C81-M85 HydrophobicContact CB-SD 4.26Å; C81-M85 WeakPolarHBondContact SG-CG 3.26Å
82	P	94	Very high	89.1	Confident	39 Å²	39	80.4 Å²	80.4	25%	0.253	41%	0.414	S	S	.	.	S	Bend	trans	-80.2	4.7	-176.1	34.9	-38.7	0	0	0	113.3	L7 K80 A167 N168 R171	L7-P82 WeakPolarHBondContact CD2-O 3.27Å; K80-P82 WeakPolarHBondContact O-CD 3.45Å; P82-A167 HydrophobicContact CG-CB 4.15Å; P82-N168 WeakPolarHBondContact CG-OD1 3.45Å; P82-R171 HydrophobicContact CB-CB 3.77Å; P82-R171 HydrophobicContact CB-CG 3.7Å; P82-R171 HydrophobicContact CG-CB 3.8Å; P82-R171 HydrophobicContact CG-CG 4.24Å
83	T	95.2	Very high	89.3	Confident	13 Å²	13	77.9 Å²	77.9	8%	0.08	40%	0.403	C	S	.	.	S	Bend	trans	-132.8	160.6	-177.6	65.2	0	0	0	0	111.2	Y5 L7 C81 M85 A167 V170	Y5-T83 WeakPolarHBondContact CD1-OG1 3.29Å; L7-T83 HydrophobicContact CD1-CG2 4.13Å; L7-T83 HydrophobicContact CD2-CG2 4.4Å; L7-T83 HydrophobicContact CG-CG2 3.94Å; C81-T83 PolarHBondContact O-N 2.93Å; C81-T83 PolarHBondContact SG-O 2.96Å; C81-T83 PolarHBondContact SG-OG1 2.86Å; T83-M85 PolarHBondContact O-N 3.46Å; T83-A167 HydrophobicContact CG2-CB 4.19Å; T83-A167 VanDerWaalsContact CG2-O 3.29Å; T83-A167 WeakPolarHBondContact CG2-O 3.15Å; T83-V170 HydrophobicContact CG2-CB 3.95Å; T83-V170 HydrophobicContact CG2-CG1 3.69Å
84	I	94.6	Very high	89.5	Confident	67 Å²	67	80.9 Å²	80.9	34%	0.344	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	123	165.4	-61.1	168.5	0	0	0	107.7	Y5 V6 F8 P73	Y5-I84 WeakPolarHBondContact CA-O 3.35Å; V6-I84 HydrophobicContact CG1-CB 3.91Å; V6-I84 HydrophobicContact CG1-CG2 4.19Å; V6-I84 PolarHBondContact N-O 3.32Å; V6-I84 WeakPolarHBondContact O-CB 3.49Å; V6-I84 PolarHBondContact O-N 2.91Å; F8-I84 HydrophobicContact CD2-CD1 4.01Å; F8-I84 HydrophobicContact CE2-CD1 4.01Å; P73-I84 HydrophobicContact CB-CG2 4.08Å; P73-I84 HydrophobicContact CG-CG2 4.1Å
85	M	93.5	Very high	89.7	Confident	37 Å²	37	80.4 Å²	80.4	18%	0.182	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	129.9	173.3	-74.8	-172	-58.6	0	0	109.1	E4 Y5 P73 D74 D76 C81 T83	E4-M85 WeakPolarHBondContact O-CA 3.09Å; Y5-M85 HydrophobicContact CD1-CG 3.64Å; Y5-M85 HydrophobicContact CD1-SD 4.21Å; Y5-M85 HydrophobicContact CE1-CG 3.64Å; Y5-M85 HydrophobicContact CE1-SD 3.61Å; P73-M85 CarbonylContact C-O 3.47Å; P73-M85 WeakPolarHBondContact CA-O 3.11Å; D74-M85 HydrophobicContact CB-CB 4.25Å; D74-M85 PolarHBondContact N-O 3.39Å; D76-M85 HydrophobicContact CB-CE 4.39Å; C81-M85 HydrophobicContact CB-CE 3.76Å; C81-M85 HydrophobicContact CB-SD 4.26Å; C81-M85 WeakPolarHBondContact SG-CG 3.26Å; T83-M85 PolarHBondContact O-N 3.46Å
86	R	93.2	Very high	90.1	Very high	43 Å²	43	83.7 Å²	83.7	16%	0.162	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	157.6	174.1	62.3	-170.1	-176	-176.4	-1.4	111.4	E4 T88	E4-R86 HydrophobicContact CB-CG 4.21Å; E4-R86 PolarHBondContact N-O 2.89Å; E4-R86 PolarHBondContact O-N 3.33Å; E4-R86 IonicContact OE2-CZ 3.36Å; E4-R86 IonicContact OE2-NE 3.32Å; E4-R86 PolarHBondContact OE2-NE 3.21Å; E4-R86 IonicContact OE2-NH2 2.65Å; E4-R86 PolarHBondContact OE2-NH2 3.1Å; R86-T88 HydrophobicContact CG-CG2 4.39Å
87	K	93.4	Very high	90.7	Very high	98 Å²	98	85.6 Å²	85.6	43%	0.426	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	136.5	174.5	-69.4	176.8	-173.9	170.1	0	111.3	M1 A2 G71	M1-K87 HydrophobicContact CG-CB 3.9Å; M1-K87 HydrophobicContact SD-CB 3.58Å; M1-K87 VanDerWaalsContact SD-CB 3.58Å; M1-K87 HydrophobicContact SD-CD 3.7Å; M1-K87 HydrophobicContact SD-CG 4.08Å; A2-K87 WeakPolarHBondContact O-CA 3.19Å; G71-K87 WeakPolarHBondContact CA-O 3.41Å; G71-K87 PolarHBondContact N-O 2.83Å
88	T	94.5	Very high	91.7	Very high	0 Å²	0	77.5 Å²	77.5	0%	0	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	154.9	175.6	64.5	0	0	0	0	112.3	M1 A2 E4 Y69 R86	M1-T88 CarbonylContact C-O 3.5Å; M1-T88 WeakPolarHBondContact CA-O 3.47Å; M1-T88 WeakPolarHBondContact CG-O 3.45Å; A2-T88 PolarHBondContact N-O 3.08Å; A2-T88 PolarHBondContact O-N 3.22Å; E4-T88 HydrophobicContact CB-CG2 3.78Å; E4-T88 WeakPolarHBondContact OE2-CG2 3.47Å; Y69-T88 VanDerWaalsContact O-CA 3.31Å; Y69-T88 WeakPolarHBondContact O-CA 3.21Å; R86-T88 HydrophobicContact CG-CG2 4.39Å
89	M	95	Very high	92.4	Very high	85 Å²	85	76.8 Å²	76.8	42%	0.419	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	130.8	169.8	-179.6	-176	-65.2	0	0	108.4	M1 R68 Y69	M1-M89 HydrophobicContact CE-CE 3.96Å; R68-M89 CarbonylContact C-O 3.59Å; R68-M89 WeakPolarHBondContact CA-O 3.31Å; Y69-M89 HydrophobicContact CD1-CB 4.44Å; Y69-M89 PolarHBondContact N-O 3.44Å; Y69-M89 PolarHBondContact O-N 3.06Å
90	D	94.9	Very high	93.1	Very high	58 Å²	58	68.7 Å²	68.7	31%	0.31	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	139.2	180	-56.4	-88.5	0	0	0	108.8	H66 L67 R68	H66-D90 IonicContact CE1-OD1 3.89Å; H66-D90 PolarHBondContact CE1-OD1 3.46Å; H66-D90 IonicContact NE2-OD1 3.61Å; H66-D90 PolarHBondContact NE2-OD1 3.21Å; L67-D90 CarbonylContact O-C 3.53Å; L67-D90 WeakPolarHBondContact O-CA 3.13Å; R68-D90 WeakPolarHBondContact CD-OD1 3.33Å; R68-D90 WeakPolarHBondContact CG-OD1 3.4Å; R68-D90 IonicContact CZ-OD1 3.55Å; R68-D90 IonicContact NE-OD1 3.54Å; R68-D90 IonicContact NH1-OD1 2.75Å; R68-D90 PolarHBondContact NH1-OD1 3.01Å; R68-D90 IonicContact NH1-OD2 2.55Å; R68-D90 PolarHBondContact NH1-OD2 3.43Å
91	C	95.1	Very high	93.5	Very high	55 Å²	55	65.6 Å²	65.6	37%	0.372	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	151.5	169.2	65.9	0	0	0	0	111.1	L67	L67-C91 VanDerWaalsContact CB-SG 3.54Å; L67-C91 PolarHBondContact N-O 2.8Å; L67-C91 PolarHBondContact O-N 3.03Å
92	L	97.1	Very high	93.7	Very high	119 Å²	119	64.4 Å²	64.4	62%	0.623	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.9	133.2	175.2	-60.4	-178.9	0	0	0	108.9	P64 F65 H66	P64-L92 HydrophobicContact CB-CB 4.12Å; P64-L92 HydrophobicContact CG-CB 4.03Å; P64-L92 HydrophobicContact CG-CD1 4.24Å; P64-L92 HydrophobicContact CG-CD2 4.45Å; P64-L92 HydrophobicContact CG-CG 4.47Å; F65-L92 VanDerWaalsContact O-CA 3.32Å; F65-L92 WeakPolarHBondContact O-CA 3.39Å; H66-L92 HydrophobicContact CB-CD2 4.02Å
93	C	94.6	Very high	93.7	Very high	37 Å²	37	63.6 Å²	63.6	25%	0.25	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	147.8	177.1	58.9	0	0	0	0	112.9	F65 L67 M98	F65-C93 WeakPolarHBondContact CB-O 3.28Å; F65-C93 PolarHBondContact N-O 3.1Å; F65-C93 PolarHBondContact O-N 3.36Å; L67-C93 WeakPolarHBondContact CD1-SG 3.47Å; C93-M98 WeakPolarHBondContact SG-CE 3.37Å
94	H	93.9	Very high	93.7	Very high	148 Å²	148	69.9 Å²	69.9	69%	0.685	37%	0.369	S	S	*	.			trans	-93.6	137	167.2	-66.9	-81	0	0	0	109
95	S	92	Very high	93.6	Very high	41 Å²	41	71 Å²	71	29%	0.287	38%	0.376	S	S	.	.			trans	-150.6	139.7	172.2	-176.1	0	0	0	0	109.4	F65 D97 M98	F65-S95 WeakPolarHBondContact CE2-O 3.31Å; S95-D97 VanDerWaalsContact C-N 3.31Å; S95-D97 VanDerWaalsContact OG-C 3.25Å; S95-D97 PolarHBondContact OG-N 3.07Å; S95-D97 VanDerWaalsContact OG-N 3.14Å; S95-D97 PolarHBondContact OG-O 3.22Å; S95-M98 PolarHBondContact OG-N 3.32Å
96	N	90	Very high	93.6	Very high	179 Å²	179	70.8 Å²	70.8	96%	0.957	38%	0.383	S	S	*	.	S	Bend	trans	-81.4	-16.6	171.6	-62.6	-27.3	0	0	0	111.9
97	D	92.8	Very high	93.7	Very high	93 Å²	93	69.8 Å²	69.8	50%	0.497	38%	0.38	S	S	.	.			trans	-147.6	69.5	-179.7	-177.6	18.5	0	0	0	110.5	S95 M99 G100 F101	S95-D97 VanDerWaalsContact C-N 3.31Å; S95-D97 VanDerWaalsContact OG-C 3.25Å; S95-D97 PolarHBondContact OG-N 3.07Å; S95-D97 VanDerWaalsContact OG-N 3.14Å; S95-D97 PolarHBondContact OG-O 3.22Å; D97-M99 VanDerWaalsContact C-N 3.28Å; D97-M99 PolarHBondContact O-N 3.38Å; D97-G100 WeakPolarHBondContact OD1-CA 3.49Å; D97-G100 PolarHBondContact OD1-N 2.81Å; D97-G100 WeakPolarHBondContact OD2-CA 3.37Å; D97-F101 WeakPolarHBondContact O-CB 3.17Å; D97-F101 PolarHBondContact O-N 3.21Å
98	M	92.6	Very high	93.8	Very high	10 Å²	10	73.1 Å²	73.1	5%	0.049	39%	0.39	C	S	.	.	H	α-helix	trans	-61.8	-38	-180	-175.5	53	68.9	0	0	112.2	V54 F65 L67 C93 S95 F101 L102	V54-M98 HydrophobicContact CG1-CG 3.72Å; F65-M98 HydrophobicContact CB-CE 3.93Å; F65-M98 HydrophobicContact CD1-CB 4.46Å; F65-M98 HydrophobicContact CD1-CG 4.24Å; F65-M98 HydrophobicContact CD2-CB 4.34Å; F65-M98 HydrophobicContact CD2-CE 3.83Å; F65-M98 HydrophobicContact CE1-CB 4.15Å; F65-M98 HydrophobicContact CE1-CG 4.36Å; F65-M98 HydrophobicContact CE2-CB 4.04Å; F65-M98 HydrophobicContact CG-CE 3.92Å; F65-M98 HydrophobicContact CG-CG 4.33Å; F65-M98 HydrophobicContact CZ-CB 3.94Å; L67-M98 HydrophobicContact CD1-CE 3.86Å; L67-M98 HydrophobicContact CD1-SD 4.12Å; L67-M98 HydrophobicContact CD2-CE 4.38Å; L67-M98 HydrophobicContact CD2-SD 4.14Å; C93-M98 WeakPolarHBondContact SG-CE 3.37Å; S95-M98 PolarHBondContact OG-N 3.32Å; M98-F101 HydrophobicContact SD-CD1 4.22Å; M98-L102 HydrophobicContact CG-CD1 4.25Å; M98-L102 WeakPolarHBondContact O-CG 3.2Å; M98-L102 PolarHBondContact O-N 2.99Å; M98-L102 VanDerWaalsContact O-N 3.1Å; M98-L102 HydrophobicContact SD-CD1 4.19Å; M98-L102 HydrophobicContact SD-CG 4.34Å
99	M	91.1	Very high	93.8	Very high	100 Å²	100	76.5 Å²	76.5	49%	0.493	41%	0.406	S	S	.	.	H	α-helix	trans	-71.1	-45.5	-176.7	-64.4	178.9	-73.3	0	0	111.3	L39 F41 D97 F101 L102 G103	L39-M99 HydrophobicContact CD2-CG 4.27Å; L39-M99 HydrophobicContact CD2-SD 4.02Å; F41-M99 HydrophobicContact CZ-CG 4.25Å; D97-M99 VanDerWaalsContact C-N 3.28Å; D97-M99 PolarHBondContact O-N 3.38Å; M99-F101 VanDerWaalsContact C-N 3.34Å; M99-L102 PolarHBondContact O-N 2.75Å; M99-G103 PolarHBondContact O-N 3.26Å
100	G	93	Very high	93.8	Very high	21 Å²	21	77.9 Å²	77.9	22%	0.216	41%	0.412	C	S	.	.	H	α-helix	trans	-63.4	-40.5	174.7	0	0	0	0	0	112	D97 L102 G103 N104	D97-G100 WeakPolarHBondContact OD1-CA 3.49Å; D97-G100 PolarHBondContact OD1-N 2.81Å; D97-G100 WeakPolarHBondContact OD2-CA 3.37Å; G100-L102 PolarHBondContact O-N 2.75Å; G100-G103 PolarHBondContact O-N 2.83Å; G100-N104 WeakPolarHBondContact O-CB 3.12Å; G100-N104 PolarHBondContact O-N 2.81Å; G100-N104 PolarHBondContact O-ND2 3Å
101	F	93.9	Very high	93.8	Very high	104 Å²	104	81 Å²	81	46%	0.456	42%	0.42	S	S	.	.	H	α-helix	trans	-55.7	-52.4	174.2	171.9	-105.7	0	0	0	112.4	D97 M98 M99 G103 N104 L105	D97-F101 WeakPolarHBondContact O-CB 3.17Å; D97-F101 PolarHBondContact O-N 3.21Å; M98-F101 HydrophobicContact SD-CD1 4.22Å; M99-F101 VanDerWaalsContact C-N 3.34Å; F101-G103 VanDerWaalsContact C-N 3.34Å; F101-G103 PolarHBondContact O-N 3.34Å; F101-N104 PolarHBondContact O-N 3.22Å; F101-L105 HydrophobicContact CD1-CD1 4.37Å; F101-L105 HydrophobicContact CE1-CD1 3.71Å; F101-L105 HydrophobicContact CE2-CD1 4.11Å; F101-L105 HydrophobicContact CZ-CD1 3.57Å; F101-L105 HydrophobicContact CZ-CG 4.44Å; F101-L105 PolarHBondContact O-N 2.84Å
102	L	93.6	Very high	93.9	Very high	5 Å²	5	79.3 Å²	79.3	3%	0.026	41%	0.407	C	S	.	.	H	α-helix	trans	-66.5	-36.7	178.7	-70.5	170	0	0	0	112.2	F41 V54 M98 M99 G100 N104 L105 G106 F107	F41-L102 HydrophobicContact CD1-CB 4.13Å; F41-L102 HydrophobicContact CD1-CD1 4.28Å; F41-L102 HydrophobicContact CD2-CD1 3.75Å; F41-L102 HydrophobicContact CE1-CB 4.2Å; F41-L102 HydrophobicContact CE1-CD1 4.38Å; F41-L102 HydrophobicContact CE2-CD1 3.85Å; F41-L102 HydrophobicContact CG-CD1 3.97Å; F41-L102 HydrophobicContact CZ-CD1 4.19Å; V54-L102 HydrophobicContact CG2-CD1 3.44Å; V54-L102 VanDerWaalsContact CG2-CD1 3.44Å; M98-L102 HydrophobicContact CG-CD1 4.25Å; M98-L102 WeakPolarHBondContact O-CG 3.2Å; M98-L102 PolarHBondContact O-N 2.99Å; M98-L102 VanDerWaalsContact O-N 3.1Å; M98-L102 HydrophobicContact SD-CD1 4.19Å; M98-L102 HydrophobicContact SD-CG 4.34Å; M99-L102 PolarHBondContact O-N 2.75Å; G100-L102 PolarHBondContact O-N 2.75Å; L102-N104 VanDerWaalsContact C-N 3.33Å; L102-N104 PolarHBondContact O-N 2.87Å; L102-L105 CarbonylContact O-C 3.53Å; L102-L105 PolarHBondContact O-N 2.82Å; L102-L105 VanDerWaalsContact O-N 3.17Å; L102-G106 PolarHBondContact O-N 3.01Å; L102-F107 HydrophobicContact CB-CB 4.27Å; L102-F107 HydrophobicContact CD2-CD2 4.38Å; L102-F107 WeakPolarHBondContact O-CB 3.33Å; L102-F107 PolarHBondContact O-N 3.01Å
103	G	93.7	Very high	93.9	Very high	22 Å²	22	75 Å²	75	23%	0.227	38%	0.383	C	S	.	.	H	α-helix	trans	-59.3	-42	173.6	0	0	0	0	0	112.9	M99 G100 F101 L105 G106	M99-G103 PolarHBondContact O-N 3.26Å; G100-G103 PolarHBondContact O-N 2.83Å; F101-G103 VanDerWaalsContact C-N 3.34Å; F101-G103 PolarHBondContact O-N 3.34Å; G103-L105 VanDerWaalsContact C-N 3.26Å; G103-L105 PolarHBondContact O-N 2.65Å; G103-G106 WeakPolarHBondContact O-CA 3.37Å; G103-G106 PolarHBondContact O-N 2.89Å
104	N	94.8	Very high	94.1	Very high	145 Å²	145	73.4 Å²	73.4	78%	0.775	37%	0.372	S	S	*	.	H	α-helix	trans	-67	-27.6	176.6	-70.6	-23.6	0	0	0	112.6	G100 F101 L102 G106	G100-N104 WeakPolarHBondContact O-CB 3.12Å; G100-N104 PolarHBondContact O-N 2.81Å; G100-N104 PolarHBondContact O-ND2 3Å; F101-N104 PolarHBondContact O-N 3.22Å; L102-N104 VanDerWaalsContact C-N 3.33Å; L102-N104 PolarHBondContact O-N 2.87Å; N104-G106 PolarHBondContact O-N 2.8Å
105	L	93.3	Very high	94.3	Very high	92 Å²	92	66.6 Å²	66.6	48%	0.482	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	3.8	171.2	-64	179.9	0	0	0	113.3	N43 F101 L102 G103 F107	N43-L105 PolarHBondContact ND2-O 3.43Å; F101-L105 HydrophobicContact CD1-CD1 4.37Å; F101-L105 HydrophobicContact CE1-CD1 3.71Å; F101-L105 HydrophobicContact CE2-CD1 4.11Å; F101-L105 HydrophobicContact CZ-CD1 3.57Å; F101-L105 HydrophobicContact CZ-CG 4.44Å; F101-L105 PolarHBondContact O-N 2.84Å; L102-L105 CarbonylContact O-C 3.53Å; L102-L105 PolarHBondContact O-N 2.82Å; L102-L105 VanDerWaalsContact O-N 3.17Å; G103-L105 VanDerWaalsContact C-N 3.26Å; G103-L105 PolarHBondContact O-N 2.65Å; L105-F107 HydrophobicContact CB-CD2 3.81Å; L105-F107 HydrophobicContact CB-CE2 4.07Å
106	G	94	Very high	94.6	Very high	32 Å²	32	70.7 Å²	70.7	33%	0.33	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.8	5.8	178.1	0	0	0	0	0	114.6	N43 L102 G103 N104	N43-G106 PolarHBondContact ND2-O 3.31Å; L102-G106 PolarHBondContact O-N 3.01Å; G103-G106 WeakPolarHBondContact O-CA 3.37Å; G103-G106 PolarHBondContact O-N 2.89Å; N104-G106 PolarHBondContact O-N 2.8Å
107	F	94.8	Very high	95	Very high	22 Å²	22	62.5 Å²	62.5	10%	0.096	31%	0.312	C	S	.	.			trans	-75.5	144.1	173.7	-69.1	-89.4	0	0	0	111.1	F41 N43 I50 W52 L102 L105	F41-F107 HydrophobicContact CB-CB 4.09Å; F41-F107 HydrophobicContact CB-CD1 4.41Å; F41-F107 HydrophobicContact CD1-CB 4.12Å; N43-F107 HydrophobicContact CB-CD1 3.43Å; N43-F107 VanDerWaalsContact CB-CD1 3.43Å; N43-F107 HydrophobicContact CB-CD2 4.43Å; N43-F107 HydrophobicContact CB-CE1 3.41Å; N43-F107 VanDerWaalsContact CB-CE1 3.41Å; N43-F107 HydrophobicContact CB-CE2 4.45Å; N43-F107 HydrophobicContact CB-CG 3.94Å; N43-F107 HydrophobicContact CB-CZ 3.96Å; I50-F107 HydrophobicContact CB-CE1 4.19Å; I50-F107 HydrophobicContact CG2-CE1 3.87Å; I50-F107 HydrophobicContact CG2-CZ 4.04Å; W52-F107 AromaticContact CD1-CE1 3.4Å; W52-F107 VanDerWaalsContact CD1-CE1 3.4Å; W52-F107 AromaticContact CD1-CZ 3.56Å; W52-F107 AromaticContact NE1-CE1 3.94Å; W52-F107 AromaticContact NE1-CZ 3.64Å; L102-F107 HydrophobicContact CB-CB 4.27Å; L102-F107 HydrophobicContact CD2-CD2 4.38Å; L102-F107 WeakPolarHBondContact O-CB 3.33Å; L102-F107 PolarHBondContact O-N 3.01Å; L105-F107 HydrophobicContact CB-CD2 3.81Å; L105-F107 HydrophobicContact CB-CE2 4.07Å
108	R	94.7	Very high	95.3	Very high	167 Å²	167	59.2 Å²	59.2	63%	0.63	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.1	131	173.9	-61.5	-61.5	-176.4	-150.3	0.5	109.3	F41 A42 Q110	F41-R108 WeakPolarHBondContact CA-O 3.5Å; A42-R108 PolarHBondContact N-O 3.31Å; A42-R108 PolarHBondContact O-N 3.21Å; R108-Q110 PolarHBondContact O-N 3.01Å; R108-Q110 PolarHBondContact O-NE2 2.92Å
109	M	94.6	Very high	95.5	Very high	71 Å²	71	60.7 Å²	60.7	35%	0.35	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	127.7	171.1	-169.7	170.6	75.6	0	0	108.8	L39 V40 F41 E112 A138	L39-M109 HydrophobicContact CB-SD 4.32Å; L39-M109 HydrophobicContact CD2-SD 3.83Å; L39-M109 HydrophobicContact CG-SD 4.47Å; V40-M109 CarbonylContact O-C 3.51Å; V40-M109 WeakPolarHBondContact O-CA 3.42Å; F41-M109 HydrophobicContact CD1-CB 4.11Å; F41-M109 HydrophobicContact CE1-CB 3.75Å; F41-M109 HydrophobicContact CE1-CG 4.5Å; F41-M109 HydrophobicContact CZ-CB 4.06Å; F41-M109 HydrophobicContact CZ-CG 4.35Å; F41-M109 HydrophobicContact CZ-SD 4.47Å; M109-E112 VanDerWaalsContact CE-OE1 3.26Å; M109-E112 WeakPolarHBondContact CE-OE1 3.22Å; M109-E112 HydrophobicContact SD-CB 4.16Å; M109-A138 HydrophobicContact CE-CB 4.26Å
110	Q	94.9	Very high	95.9	Very high	114 Å²	114	56 Å²	56	53%	0.533	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	-46.6	178.1	-60.2	-56.8	-64.7	0	0	110.2	V40 A42 R108	V40-Q110 PolarHBondContact O-N 3.4Å; A42-Q110 HydrophobicContact CB-CG 3.58Å; R108-Q110 PolarHBondContact O-N 3.01Å; R108-Q110 PolarHBondContact O-NE2 2.92Å
111	Y	95.1	Very high	96.1	Very high	124 Å²	124	57.8 Å²	57.8	49%	0.486	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.4	162.6	178.8	55.5	-88.4	0	0	0	109.7	V40 F113	V40-Y111 HydrophobicContact CB-CD1 4.32Å; V40-Y111 HydrophobicContact CB-CD2 4.12Å; V40-Y111 HydrophobicContact CB-CE1 3.94Å; V40-Y111 HydrophobicContact CB-CE2 3.75Å; V40-Y111 HydrophobicContact CB-CG 4.4Å; V40-Y111 HydrophobicContact CG1-CE1 3.9Å; V40-Y111 HydrophobicContact CG1-CE2 4.36Å; V40-Y111 HydrophobicContact CG2-CD2 4Å; V40-Y111 HydrophobicContact CG2-CE1 4.39Å; V40-Y111 HydrophobicContact CG2-CE2 3.37Å; V40-Y111 PolarHBondContact N-O 3.34Å; Y111-F113 AromaticContact CD2-CD1 3.95Å; Y111-F113 HydrophobicContact CD2-CD1 3.95Å; Y111-F113 HydrophobicContact CD2-CE1 4.16Å; Y111-F113 HydrophobicContact CE2-CD1 4.07Å; Y111-F113 AromaticContact CE2-CE1 3.81Å; Y111-F113 HydrophobicContact CE2-CE1 3.81Å
112	E	97.1	Very high	96.3	Very high	19 Å²	19	57 Å²	57	9%	0.089	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	153.2	172.8	79.4	-164.5	118.5	0	0	110.2	H37 E38 L39 M109 V135 A138 G139	H37-E112 IonicContact CE1-OE2 3.09Å; H37-E112 PolarHBondContact CE1-OE2 3.37Å; H37-E112 IonicContact NE2-OE2 3.05Å; H37-E112 PolarHBondContact NE2-OE2 3.35Å; E38-E112 CarbonylContact O-C 3.54Å; E38-E112 WeakPolarHBondContact O-CA 3.39Å; E38-E112 WeakPolarHBondContact O-CB 3.35Å; L39-E112 HydrophobicContact CB-CB 4.33Å; L39-E112 HydrophobicContact CG-CB 4.09Å; M109-E112 VanDerWaalsContact CE-OE1 3.26Å; M109-E112 WeakPolarHBondContact CE-OE1 3.22Å; M109-E112 HydrophobicContact SD-CB 4.16Å; E112-V135 HydrophobicContact CG-CB 3.56Å; E112-V135 HydrophobicContact CG-CG1 3.86Å; E112-V135 HydrophobicContact CG-CG2 3.94Å; E112-A138 WeakPolarHBondContact OE1-CA 3.42Å; E112-G139 VanDerWaalsContact CD-N 3.35Å; E112-G139 PolarHBondContact OE1-N 3.44Å; E112-G139 VanDerWaalsContact OE1-N 3.08Å; E112-G139 VanDerWaalsContact OE2-CA 3.28Å; E112-G139 WeakPolarHBondContact OE2-CA 3.39Å; E112-G139 PolarHBondContact OE2-N 3Å
113	F	98.1	Very high	96.4	Very high	30 Å²	30	59.1 Å²	59.1	13%	0.132	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	163.2	-177.4	61.2	-84.6	0	0	0	110.8	H37 E38 V40 Y111 A115 I132 Q133	H37-F113 PolarHBondContact CD2-O 2.78Å; E38-F113 HydrophobicContact CB-CD1 4.34Å; E38-F113 HydrophobicContact CB-CD2 4.33Å; E38-F113 HydrophobicContact CB-CE1 3.89Å; E38-F113 HydrophobicContact CB-CE2 3.9Å; E38-F113 HydrophobicContact CB-CZ 3.68Å; E38-F113 HydrophobicContact CG-CE1 3.76Å; E38-F113 HydrophobicContact CG-CE2 4.33Å; E38-F113 HydrophobicContact CG-CZ 3.63Å; E38-F113 PolarHBondContact N-O 2.99Å; E38-F113 PolarHBondContact O-N 2.67Å; E38-F113 WeakPolarHBondContact OE2-CZ 3.37Å; V40-F113 HydrophobicContact CG2-CE1 4.23Å; Y111-F113 AromaticContact CD2-CD1 3.95Å; Y111-F113 HydrophobicContact CD2-CD1 3.95Å; Y111-F113 HydrophobicContact CD2-CE1 4.16Å; Y111-F113 HydrophobicContact CE2-CD1 4.07Å; Y111-F113 AromaticContact CE2-CE1 3.81Å; Y111-F113 HydrophobicContact CE2-CE1 3.81Å; F113-A115 HydrophobicContact CD2-CB 4.27Å; F113-A115 HydrophobicContact CE2-CB 4.04Å; F113-I132 HydrophobicContact CB-CG2 4.08Å; F113-I132 HydrophobicContact CD2-CD1 4.05Å; F113-I132 HydrophobicContact CD2-CG2 3.86Å; F113-I132 HydrophobicContact CE2-CD1 3.96Å; F113-I132 HydrophobicContact CG-CG2 4.15Å; F113-Q133 CarbonylContact C-O 3.58Å; F113-Q133 WeakPolarHBondContact CA-O 3.27Å; F113-Q133 WeakPolarHBondContact CB-O 3.41Å
114	V	98.4	Very high	96.4	Very high	3 Å²	3	62.7 Å²	62.7	2%	0.018	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	127.1	167.7	171.5	0	0	0	0	108.8	E36 H37 L58 Q133 V135 A141 L144	E36-V114 CarbonylContact O-C 3.58Å; E36-V114 VanDerWaalsContact O-CA 3.31Å; E36-V114 WeakPolarHBondContact O-CA 3.31Å; H37-V114 HydrophobicContact CB-CG2 4.34Å; L58-V114 HydrophobicContact CD1-CG1 3.76Å; L58-V114 HydrophobicContact CD1-CG2 3.98Å; V114-Q133 PolarHBondContact N-O 2.66Å; V114-Q133 PolarHBondContact O-N 2.55Å; V114-V135 HydrophobicContact CG2-CG2 4.17Å; V114-A141 HydrophobicContact CG2-CB 3.97Å; V114-L144 HydrophobicContact CB-CD1 4.06Å; V114-L144 HydrophobicContact CB-CD2 3.94Å; V114-L144 HydrophobicContact CG1-CD1 4.23Å; V114-L144 HydrophobicContact CG2-CD1 4.11Å; V114-L144 HydrophobicContact CG2-CD2 3.55Å; V114-L144 HydrophobicContact CG2-CG 4.47Å
115	A	98.2	Very high	96.5	Very high	5 Å²	5	56.3 Å²	56.3	4%	0.041	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	120.2	171.3	0	0	0	0	0	109	F34 E36 F113 K131 I132	F34-A115 HydrophobicContact CE2-CB 4.04Å; E36-A115 PolarHBondContact N-O 3.16Å; E36-A115 PolarHBondContact O-N 2.88Å; F113-A115 HydrophobicContact CD2-CB 4.27Å; F113-A115 HydrophobicContact CE2-CB 4.04Å; A115-K131 WeakPolarHBondContact CA-O 3.47Å; A115-I132 HydrophobicContact CB-CD1 3.83Å
116	K	98.2	Very high	96.7	Very high	127 Å²	127	55 Å²	55	55%	0.552	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.6	124.5	175.6	-174.3	175.3	-177.7	173	0	109.9	F34 S130 K131	F34-K116 CarbonylContact O-C 3.45Å; F34-K116 WeakPolarHBondContact O-CA 3.46Å; K116-S130 CarbonylContact O-C 3.59Å; K116-S130 WeakPolarHBondContact O-CA 3.48Å; K116-K131 PolarHBondContact N-O 3.31Å; K116-K131 PolarHBondContact O-N 2.95Å
117	G	98.1	Very high	97	Very high	7 Å²	7	53.4 Å²	53.4	7%	0.072	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-170	-160.3	-169.3	0	0	0	0	0	115	A33 F34 V129	A33-G117 WeakPolarHBondContact CA-O 3.33Å; F34-G117 WeakPolarHBondContact CD1-O 3.28Å; F34-G117 VanDerWaalsContact CE1-C 3.41Å; F34-G117 PolarHBondContact N-O 3.02Å; F34-G117 PolarHBondContact O-N 3.12Å; G117-V129 CarbonylContact C-O 3.59Å; G117-V129 WeakPolarHBondContact CA-O 3.4Å
118	V	98.4	Very high	97.1	Very high	24 Å²	24	52.9 Å²	52.9	15%	0.145	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	138.3	176.8	-171.5	0	0	0	0	109.3	E32 F120 V129	E32-V118 CarbonylContact O-C 3.58Å; E32-V118 WeakPolarHBondContact O-CA 3.45Å; V118-F120 HydrophobicContact CB-CE2 3.77Å; V118-F120 HydrophobicContact CB-CZ 4.16Å; V118-F120 HydrophobicContact CG1-CD2 4.15Å; V118-F120 HydrophobicContact CG1-CE1 4.24Å; V118-F120 HydrophobicContact CG1-CE2 3.52Å; V118-F120 HydrophobicContact CG1-CZ 3.56Å; V118-V129 PolarHBondContact N-O 3.31Å; V118-V129 PolarHBondContact O-N 2.94Å
119	I	98.4	Very high	97.3	Very high	40 Å²	40	44.9 Å²	44.9	21%	0.205	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	132.2	172.3	-51.6	-178.4	0	0	0	108.3	S31 E32 F34 K126 I127 T128	S31-I119 CarbonylContact C-O 3.6Å; S31-I119 WeakPolarHBondContact CA-O 3.38Å; E32-I119 PolarHBondContact N-O 2.83Å; E32-I119 PolarHBondContact O-N 3.45Å; F34-I119 HydrophobicContact CD1-CD1 4Å; F34-I119 HydrophobicContact CD1-CG1 3.44Å; F34-I119 VanDerWaalsContact CD1-CG1 3.44Å; F34-I119 HydrophobicContact CE1-CD1 4.44Å; F34-I119 HydrophobicContact CE1-CG1 3.69Å; F34-I119 HydrophobicContact CG-CD1 4.33Å; F34-I119 HydrophobicContact CG-CG1 4.25Å; I119-K126 HydrophobicContact CG2-CD 4.36Å; I119-K126 HydrophobicContact CG2-CG 3.93Å; I119-I127 CarbonylContact C-O 3.59Å; I119-I127 WeakPolarHBondContact CA-O 3.21Å; I119-T128 HydrophobicContact CG1-CG2 4.28Å
120	F	98.6	Very high	97.5	Very high	3 Å²	3	41.7 Å²	41.7	1%	0.013	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	159.9	168.7	-56.8	-95.9	0	0	0	109.3	L20 I23 K24 A27 V118 I127	L20-F120 HydrophobicContact CD2-CE2 3.82Å; L20-F120 HydrophobicContact CD2-CZ 3.95Å; I23-F120 HydrophobicContact CG2-CB 3.8Å; I23-F120 HydrophobicContact CG2-CD1 3.77Å; I23-F120 HydrophobicContact CG2-CD2 3.67Å; I23-F120 HydrophobicContact CG2-CE1 4.24Å; I23-F120 HydrophobicContact CG2-CE2 4.15Å; I23-F120 HydrophobicContact CG2-CG 3.46Å; I23-F120 VanDerWaalsContact CG2-CG 3.46Å; I23-F120 HydrophobicContact CG2-CZ 4.41Å; K24-F120 HydrophobicContact CG-CE1 3.7Å; K24-F120 HydrophobicContact CG-CZ 4.4Å; A27-F120 HydrophobicContact CB-CB 4.07Å; A27-F120 HydrophobicContact CB-CD1 4.41Å; V118-F120 HydrophobicContact CB-CE2 3.77Å; V118-F120 HydrophobicContact CB-CZ 4.16Å; V118-F120 HydrophobicContact CG1-CD2 4.15Å; V118-F120 HydrophobicContact CG1-CE1 4.24Å; V118-F120 HydrophobicContact CG1-CE2 3.52Å; V118-F120 HydrophobicContact CG1-CZ 3.56Å; F120-I127 HydrophobicContact CB-CB 4.25Å; F120-I127 HydrophobicContact CB-CD1 4.44Å; F120-I127 PolarHBondContact N-O 2.82Å; F120-I127 PolarHBondContact O-N 3.01Å
121	T	98.2	Very high	97.6	Very high	57 Å²	57	37.6 Å²	37.6	35%	0.35	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	149.5	174.6	50.3	0	0	0	0	110.3	A27 D28 I125	A27-T121 WeakPolarHBondContact CB-O 3.31Å; D28-T121 WeakPolarHBondContact CB-O 3.08Å; D28-T121 PolarHBondContact N-O 2.96Å; T121-I125 CarbonylContact C-O 3.55Å; T121-I125 VanDerWaalsContact CA-O 3.27Å; T121-I125 WeakPolarHBondContact CA-O 3.34Å
122	K	97.4	Very high	97.8	Very high	87 Å²	87	32.8 Å²	32.8	38%	0.378	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	91.1	168.5	-178.4	56.6	167.3	-163.4	0	108.2	L26 D28 P124 I125 I127 F173	L26-K122 VanDerWaalsContact O-CD 3.26Å; L26-K122 WeakPolarHBondContact O-CD 3.46Å; L26-K122 WeakPolarHBondContact O-CE 3.23Å; L26-K122 PolarHBondContact O-NZ 3.08Å; D28-K122 WeakPolarHBondContact OD2-CA 3.45Å; K122-P124 WeakPolarHBondContact O-CD 3.33Å; K122-I125 HydrophobicContact CB-CB 4.39Å; K122-I125 PolarHBondContact N-O 2.92Å; K122-I125 WeakPolarHBondContact O-CB 3.01Å; K122-I125 PolarHBondContact O-N 2.75Å; K122-I127 HydrophobicContact CB-CD1 4.36Å; K122-F173 HydrophobicContact CB-CD2 4.26Å; K122-F173 HydrophobicContact CB-CE2 3.87Å; K122-F173 HydrophobicContact CG-CD2 4.09Å; K122-F173 HydrophobicContact CG-CE2 3.91Å
123	G	94.9	Very high	97.8	Very high	51 Å²	51	34.6 Å²	34.6	53%	0.526	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	55	-120.2	-168.4	0	0	0	0	0	110.6	D28 I125	D28-G123 PolarHBondContact OD2-N 3.38Å; G123-I125 VanDerWaalsContact C-N 3.28Å; G123-I125 PolarHBondContact O-N 2.95Å
124	P	93.6	Very high	97.7	Very high	96 Å²	96	39.8 Å²	39.8	62%	0.623	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-8.4	179.7	34.4	-36.4	0	0	0	114.1	K122	K122-P124 WeakPolarHBondContact O-CD 3.33Å
125	I	97.7	Very high	97.7	Very high	12 Å²	12	40.2 Å²	40.2	6%	0.062	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	126.2	-177.2	-56.8	174.7	0	0	0	109	T121 K122 G123 I127 I155 S156 A157 V170 F173	T121-I125 CarbonylContact C-O 3.55Å; T121-I125 VanDerWaalsContact CA-O 3.27Å; T121-I125 WeakPolarHBondContact CA-O 3.34Å; K122-I125 HydrophobicContact CB-CB 4.39Å; K122-I125 PolarHBondContact N-O 2.92Å; K122-I125 WeakPolarHBondContact O-CB 3.01Å; K122-I125 PolarHBondContact O-N 2.75Å; G123-I125 VanDerWaalsContact C-N 3.28Å; G123-I125 PolarHBondContact O-N 2.95Å; I125-I127 HydrophobicContact CG2-CD1 3.91Å; I125-I127 HydrophobicContact CG2-CG1 4.16Å; I125-I155 HydrophobicContact CG2-CG2 3.47Å; I125-I155 VanDerWaalsContact CG2-CG2 3.47Å; I125-S156 CarbonylContact C-O 3.54Å; I125-S156 WeakPolarHBondContact CA-O 3.48Å; I125-A157 HydrophobicContact CG1-CB 4.41Å; I125-V170 HydrophobicContact CG1-CG2 4.34Å; I125-F173 HydrophobicContact CD1-CB 4.11Å
126	K	98.1	Very high	97.5	Very high	63 Å²	63	43.9 Å²	43.9	27%	0.274	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	131.5	169.8	-177.4	-174.9	66.4	171.6	0	109.3	I119 T128 I155 S156	I119-K126 HydrophobicContact CG2-CD 4.36Å; I119-K126 HydrophobicContact CG2-CG 3.93Å; K126-T128 HydrophobicContact CD-CG2 4.45Å; K126-T128 HydrophobicContact CG-CG2 4.45Å; K126-I155 WeakPolarHBondContact O-CA 3.4Å; K126-S156 WeakPolarHBondContact CE-OG 3.41Å; K126-S156 PolarHBondContact N-O 2.92Å; K126-S156 PolarHBondContact O-N 2.85Å
127	I	98.6	Very high	97.3	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	126.5	176	-53	94.2	0	0	0	108.5	I23 I119 F120 K122 I125 V129 E154 I155 F173	I23-I127 HydrophobicContact CD1-CG2 4.1Å; I119-I127 CarbonylContact C-O 3.59Å; I119-I127 WeakPolarHBondContact CA-O 3.21Å; F120-I127 HydrophobicContact CB-CB 4.25Å; F120-I127 HydrophobicContact CB-CD1 4.44Å; F120-I127 PolarHBondContact N-O 2.82Å; F120-I127 PolarHBondContact O-N 3.01Å; K122-I127 HydrophobicContact CB-CD1 4.36Å; I125-I127 HydrophobicContact CG2-CD1 3.91Å; I125-I127 HydrophobicContact CG2-CG1 4.16Å; I127-V129 HydrophobicContact CG2-CG2 4.47Å; I127-E154 CarbonylContact C-O 3.58Å; I127-E154 VanDerWaalsContact CA-O 3.31Å; I127-E154 WeakPolarHBondContact CA-O 3.33Å; I127-I155 HydrophobicContact CG1-CG1 4.27Å; I127-I155 HydrophobicContact CG1-CG2 4.28Å; I127-I155 HydrophobicContact CG2-CG1 4.19Å; I127-F173 HydrophobicContact CD1-CD1 4.45Å; I127-F173 HydrophobicContact CD1-CE1 3.81Å; I127-F173 HydrophobicContact CD1-CZ 3.83Å; I127-F173 HydrophobicContact CG1-CD1 4.19Å; I127-F173 HydrophobicContact CG1-CE1 3.62Å; I127-F173 HydrophobicContact CG1-CZ 4.16Å
128	T	98.4	Very high	96.9	Very high	10 Å²	10	46.2 Å²	46.2	6%	0.061	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	136.6	171.9	63.9	0	0	0	0	109	I119 K126 V153 E154	I119-T128 HydrophobicContact CG1-CG2 4.28Å; K126-T128 HydrophobicContact CD-CG2 4.45Å; K126-T128 HydrophobicContact CG-CG2 4.45Å; T128-V153 WeakPolarHBondContact O-CA 3.49Å; T128-E154 PolarHBondContact N-O 3.47Å; T128-E154 PolarHBondContact O-N 2.87Å; T128-E154 VanDerWaalsContact OG1-CB 3.28Å; T128-E154 WeakPolarHBondContact OG1-CB 3.46Å; T128-E154 WeakPolarHBondContact OG1-CG 3.47Å; T128-E154 PolarHBondContact OG1-OE2 3.27Å
129	V	98.4	Very high	96.4	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	112.6	169.3	-173.2	0	0	0	0	106.9	Y16 L19 L20 I23 G117 V118 I127 Y151 L152 V153	Y16-V129 HydrophobicContact CD2-CG1 3.97Å; Y16-V129 HydrophobicContact CE2-CG1 3.68Å; L19-V129 HydrophobicContact CD2-CG1 4.11Å; L19-V129 HydrophobicContact CD2-CG2 4.17Å; L20-V129 HydrophobicContact CD2-CB 4.17Å; L20-V129 HydrophobicContact CD2-CG1 4.28Å; L20-V129 HydrophobicContact CD2-CG2 4.24Å; I23-V129 HydrophobicContact CD1-CG2 3.53Å; G117-V129 CarbonylContact C-O 3.59Å; G117-V129 WeakPolarHBondContact CA-O 3.4Å; V118-V129 PolarHBondContact N-O 3.31Å; V118-V129 PolarHBondContact O-N 2.94Å; I127-V129 HydrophobicContact CG2-CG2 4.47Å; V129-Y151 HydrophobicContact CG1-CD1 4.23Å; V129-Y151 HydrophobicContact CG1-CG 4.38Å; V129-L152 WeakPolarHBondContact CA-O 3.32Å; V129-V153 HydrophobicContact CG1-CG2 4.33Å; V129-V153 HydrophobicContact CG2-CG1 4.47Å; V129-V153 HydrophobicContact CG2-CG2 4.44Å
130	S	98.3	Very high	96.1	Very high	4 Å²	4	46.2 Å²	46.2	3%	0.028	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	144.2	-169.3	65.6	0	0	0	0	113.6	K116 Y151 L152	K116-S130 CarbonylContact O-C 3.59Å; K116-S130 WeakPolarHBondContact O-CA 3.48Å; S130-Y151 CarbonylContact O-C 3.55Å; S130-Y151 VanDerWaalsContact O-CA 3.31Å; S130-Y151 WeakPolarHBondContact O-CA 3.47Å; S130-L152 PolarHBondContact N-O 2.84Å; S130-L152 PolarHBondContact O-N 2.84Å
131	K	98.2	Very high	95.8	Very high	28 Å²	28	46.6 Å²	46.6	12%	0.122	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	126.2	167	-162.5	73.6	-175.7	168.9	0	108.1	D13 A115 K116 S148 S150 Y151	D13-K131 IonicContact OD1-NZ 3.25Å; D13-K131 PolarHBondContact OD1-NZ 2.9Å; D13-K131 IonicContact OD2-NZ 2.73Å; D13-K131 PolarHBondContact OD2-NZ 2.77Å; A115-K131 WeakPolarHBondContact CA-O 3.47Å; K116-K131 PolarHBondContact N-O 3.31Å; K116-K131 PolarHBondContact O-N 2.95Å; K131-S148 WeakPolarHBondContact CE-O 3.33Å; K131-S148 PolarHBondContact NZ-O 3.17Å; K131-S150 WeakPolarHBondContact CD-O 3.17Å; K131-S150 VanDerWaalsContact NZ-N 3.2Å; K131-S150 PolarHBondContact NZ-O 3.47Å; K131-Y151 HydrophobicContact CB-CD1 4.08Å; K131-Y151 HydrophobicContact CB-CE1 3.74Å; K131-Y151 HydrophobicContact CD-CD1 4.35Å; K131-Y151 HydrophobicContact CD-CD2 4.18Å; K131-Y151 HydrophobicContact CD-CE1 4.12Å; K131-Y151 HydrophobicContact CD-CE2 3.94Å; K131-Y151 HydrophobicContact CD-CG 4.38Å; K131-Y151 HydrophobicContact CG-CE1 4.49Å
132	I	98.1	Very high	95.7	Very high	22 Å²	22	49.3 Å²	49.3	11%	0.113	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	130.9	175.7	-53.4	-55.6	0	0	0	108.9	F113 A115 F147 L152	F113-I132 HydrophobicContact CB-CG2 4.08Å; F113-I132 HydrophobicContact CD2-CD1 4.05Å; F113-I132 HydrophobicContact CD2-CG2 3.86Å; F113-I132 HydrophobicContact CE2-CD1 3.96Å; F113-I132 HydrophobicContact CG-CG2 4.15Å; A115-I132 HydrophobicContact CB-CD1 3.83Å; I132-F147 HydrophobicContact CB-CB 4.39Å; I132-F147 HydrophobicContact CB-CD1 4.32Å; I132-F147 HydrophobicContact CG2-CB 4.22Å; I132-F147 HydrophobicContact CG2-CD1 4.21Å; I132-F147 HydrophobicContact CG2-CG 4.23Å; I132-F147 VanDerWaalsContact O-CB 3.27Å; I132-F147 WeakPolarHBondContact O-CB 3.26Å; I132-L152 HydrophobicContact CD1-CD2 4.17Å; I132-L152 HydrophobicContact CG1-CB 4.13Å; I132-L152 HydrophobicContact CG1-CD2 4.24Å
133	Q	98	Very high	95.6	Very high	58 Å²	58	50.1 Å²	50.1	27%	0.271	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	130.9	173.2	-59.5	-177.4	-88.6	0	0	108.6	F113 V114 L144 E145	F113-Q133 CarbonylContact C-O 3.58Å; F113-Q133 WeakPolarHBondContact CA-O 3.27Å; F113-Q133 WeakPolarHBondContact CB-O 3.41Å; V114-Q133 PolarHBondContact N-O 2.66Å; V114-Q133 PolarHBondContact O-N 2.55Å; Q133-L144 HydrophobicContact CB-CB 4.14Å; Q133-L144 HydrophobicContact CB-CD1 4.32Å; Q133-L144 HydrophobicContact CB-CD2 4.46Å; Q133-E145 CarbonylContact C-O 3.59Å; Q133-E145 WeakPolarHBondContact CA-O 3.46Å
134	R	96.6	Very high	95.7	Very high	139 Å²	139	50.4 Å²	50.4	53%	0.525	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	137.6	178.8	171.1	164.2	175.9	-133.9	11.8	109.3	L144 E145 F147	R134-L144 CarbonylContact O-C 3.59Å; R134-L144 WeakPolarHBondContact O-CA 3.35Å; R134-E145 HydrophobicContact CB-CG 3.72Å; R134-E145 WeakPolarHBondContact CD-OE1 3.38Å; R134-E145 HydrophobicContact CG-CG 4.13Å; R134-E145 WeakPolarHBondContact CG-OE1 3.49Å; R134-E145 IonicContact CZ-OE1 2.99Å; R134-E145 PolarHBondContact N-O 3Å; R134-E145 IonicContact NE-OE1 2.75Å; R134-E145 IonicContact NH1-OE1 3.59Å; R134-E145 PolarHBondContact NH1-OE1 3.31Å; R134-E145 PolarHBondContact O-N 3.37Å; R134-F147 HydrophobicContact CB-CD2 4.49Å
135	V	97.2	Very high	95.9	Very high	11 Å²	11	49.4 Å²	49.4	7%	0.067	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	127.9	172.1	173.1	0	0	0	0	108.3	E112 V114 E137 K143 L144	E112-V135 HydrophobicContact CG-CB 3.56Å; E112-V135 HydrophobicContact CG-CG1 3.86Å; E112-V135 HydrophobicContact CG-CG2 3.94Å; V114-V135 HydrophobicContact CG2-CG2 4.17Å; V135-E137 WeakPolarHBondContact CG1-O 3.33Å; V135-K143 WeakPolarHBondContact CA-O 3.4Å; V135-L144 HydrophobicContact CB-CD2 4.5Å; V135-L144 HydrophobicContact CG2-CD2 3.67Å
136	T	94.8	Very high	95.8	Very high	83 Å²	83	54.6 Å²	54.6	51%	0.509	29%	0.286	S	S	.	.	S	Bend	trans	-96.4	-18.4	-175.8	56.7	0	0	0	0	113.4	K143 E145	T136-K143 PolarHBondContact N-O 2.78Å; T136-K143 PolarHBondContact OG1-O 2.98Å; T136-E145 HydrophobicContact CG2-CB 3.74Å; T136-E145 HydrophobicContact CG2-CG 3.57Å
137	E	94	Very high	95.6	Very high	100 Å²	100	58.1 Å²	58.1	47%	0.467	30%	0.301	S	S	.	.	S	Bend	trans	-127.1	122.4	177.5	-178.3	-169.8	129.6	0	0	108.9	V135 G139 N140 K143	V135-E137 WeakPolarHBondContact CG1-O 3.33Å; E137-G139 PolarHBondContact O-N 2.89Å; E137-N140 HydrophobicContact CB-CB 4.05Å; E137-N140 HydrophobicContact CG-CB 4.1Å; E137-N140 WeakPolarHBondContact O-CB 3.47Å; E137-N140 PolarHBondContact O-N 2.88Å; E137-N140 PolarHBondContact OE1-ND2 2.9Å; E137-K143 HydrophobicContact CB-CB 4.02Å; E137-K143 HydrophobicContact CB-CG 4.18Å
138	A	89.3	Confident	95.5	Very high	82 Å²	82	60 Å²	60	68%	0.678	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	129.8	-166.3	0	0	0	0	0	113.3	M109 E112 N140	M109-A138 HydrophobicContact CE-CB 4.26Å; E112-A138 WeakPolarHBondContact OE1-CA 3.42Å; A138-N140 PolarHBondContact O-N 2.79Å
139	G	87.5	Confident	95.5	Very high	25 Å²	25	64.4 Å²	64.4	26%	0.258	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.1	-8	-177.4	0	0	0	0	0	115.4	R56 E112 E137 A141	R56-G139 PolarHBondContact NH2-O 3.02Å; R56-G139 VanDerWaalsContact NH2-O 3.14Å; E112-G139 VanDerWaalsContact CD-N 3.35Å; E112-G139 PolarHBondContact OE1-N 3.44Å; E112-G139 VanDerWaalsContact OE1-N 3.08Å; E112-G139 VanDerWaalsContact OE2-CA 3.28Å; E112-G139 WeakPolarHBondContact OE2-CA 3.39Å; E112-G139 PolarHBondContact OE2-N 3Å; E137-G139 PolarHBondContact O-N 2.89Å; G139-A141 PolarHBondContact O-N 2.89Å
140	N	92.2	Very high	95.4	Very high	39 Å²	39	65.5 Å²	65.5	21%	0.209	35%	0.345	C	S	.	.			trans	-97	85.6	-176	-167.7	-18.8	0	0	0	111.6	E137 A138 T142 K143	E137-N140 HydrophobicContact CB-CB 4.05Å; E137-N140 HydrophobicContact CG-CB 4.1Å; E137-N140 WeakPolarHBondContact O-CB 3.47Å; E137-N140 PolarHBondContact O-N 2.88Å; E137-N140 PolarHBondContact OE1-ND2 2.9Å; A138-N140 PolarHBondContact O-N 2.79Å; N140-T142 PolarHBondContact O-N 2.8Å; N140-T142 PolarHBondContact OD1-N 3.37Å; N140-T142 PolarHBondContact OD1-OG1 2.87Å; N140-K143 HydrophobicContact CB-CB 4.5Å; N140-K143 HydrophobicContact CB-CG 4.33Å; N140-K143 WeakPolarHBondContact ND2-CG 3.15Å; N140-K143 PolarHBondContact O-N 3.4Å
141	A	93.4	Very high	95.4	Very high	12 Å²	12	67.5 Å²	67.5	10%	0.099	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65	3.9	-179.9	0	0	0	0	0	115.1	H37 L58 V114 G139	H37-A141 HydrophobicContact CB-CB 3.98Å; L58-A141 HydrophobicContact CD1-CB 4.35Å; L58-A141 HydrophobicContact CD2-CB 3.87Å; V114-A141 HydrophobicContact CG2-CB 3.97Å; G139-A141 PolarHBondContact O-N 2.89Å
142	T	94.7	Very high	95.4	Very high	113 Å²	113	68.7 Å²	68.7	69%	0.693	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.6	-20	173.4	74.3	0	0	0	0	112.9	N140 L144	N140-T142 PolarHBondContact O-N 2.8Å; N140-T142 PolarHBondContact OD1-N 3.37Å; N140-T142 PolarHBondContact OD1-OG1 2.87Å; T142-L144 PolarHBondContact O-N 3Å
143	K	96.3	Very high	95.4	Very high	104 Å²	104	68.2 Å²	68.2	45%	0.452	36%	0.358	S	S	.	.	S	Bend	trans	-93.7	87.1	179.7	-65	-64.6	-172.7	179.9	0	109.1	V135 T136 E137 N140	V135-K143 WeakPolarHBondContact CA-O 3.4Å; T136-K143 PolarHBondContact N-O 2.78Å; T136-K143 PolarHBondContact OG1-O 2.98Å; E137-K143 HydrophobicContact CB-CB 4.02Å; E137-K143 HydrophobicContact CB-CG 4.18Å; N140-K143 HydrophobicContact CB-CB 4.5Å; N140-K143 HydrophobicContact CB-CG 4.33Å; N140-K143 WeakPolarHBondContact ND2-CG 3.15Å; N140-K143 PolarHBondContact O-N 3.4Å
144	L	96.9	Very high	95.4	Very high	57 Å²	57	68.1 Å²	68.1	30%	0.298	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	137.7	-169.9	-58	-179.9	0	0	0	112.2	V114 Q133 R134 V135 T142	V114-L144 HydrophobicContact CB-CD1 4.06Å; V114-L144 HydrophobicContact CB-CD2 3.94Å; V114-L144 HydrophobicContact CG1-CD1 4.23Å; V114-L144 HydrophobicContact CG2-CD1 4.11Å; V114-L144 HydrophobicContact CG2-CD2 3.55Å; V114-L144 HydrophobicContact CG2-CG 4.47Å; Q133-L144 HydrophobicContact CB-CB 4.14Å; Q133-L144 HydrophobicContact CB-CD1 4.32Å; Q133-L144 HydrophobicContact CB-CD2 4.46Å; R134-L144 CarbonylContact O-C 3.59Å; R134-L144 WeakPolarHBondContact O-CA 3.35Å; V135-L144 HydrophobicContact CB-CD2 4.5Å; V135-L144 HydrophobicContact CG2-CD2 3.67Å; T142-L144 PolarHBondContact O-N 3Å
145	E	96.4	Very high	95.5	Very high	76 Å²	76	61.9 Å²	61.9	36%	0.355	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	149	166.6	70.2	-177.9	-178	0	0	110.6	Q133 R134 T136 F147	Q133-E145 CarbonylContact C-O 3.59Å; Q133-E145 WeakPolarHBondContact CA-O 3.46Å; R134-E145 HydrophobicContact CB-CG 3.72Å; R134-E145 WeakPolarHBondContact CD-OE1 3.38Å; R134-E145 HydrophobicContact CG-CG 4.13Å; R134-E145 WeakPolarHBondContact CG-OE1 3.49Å; R134-E145 IonicContact CZ-OE1 2.99Å; R134-E145 PolarHBondContact N-O 3Å; R134-E145 IonicContact NE-OE1 2.75Å; R134-E145 IonicContact NH1-OE1 3.59Å; R134-E145 PolarHBondContact NH1-OE1 3.31Å; R134-E145 PolarHBondContact O-N 3.37Å; T136-E145 HydrophobicContact CG2-CB 3.74Å; T136-E145 HydrophobicContact CG2-CG 3.57Å; E145-F147 PolarHBondContact O-N 3.41Å
146	K	95.6	Very high	95.6	Very high	120 Å²	120	61.7 Å²	61.7	52%	0.522	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	128.7	175	179.5	174.3	177.4	171.7	0	109.3	D13 S148 D149	D13-K146 IonicContact OD2-NZ 2.8Å; K146-S148 WeakPolarHBondContact CE-O 3.32Å; K146-D149 WeakPolarHBondContact CE-OD1 3.4Å; K146-D149 IonicContact NZ-OD1 3.61Å; K146-D149 PolarHBondContact NZ-OD1 3.43Å
147	F	95.9	Very high	95.7	Very high	137 Å²	137	57.8 Å²	57.8	60%	0.601	31%	0.31	S	S	*	.			trans	-86.3	-41.3	177.5	-176.2	-105.9	0	0	0	112.7	I132 R134 E145	I132-F147 HydrophobicContact CB-CB 4.39Å; I132-F147 HydrophobicContact CB-CD1 4.32Å; I132-F147 HydrophobicContact CG2-CB 4.22Å; I132-F147 HydrophobicContact CG2-CD1 4.21Å; I132-F147 HydrophobicContact CG2-CG 4.23Å; I132-F147 VanDerWaalsContact O-CB 3.27Å; I132-F147 WeakPolarHBondContact O-CB 3.26Å; R134-F147 HydrophobicContact CB-CD2 4.49Å; E145-F147 PolarHBondContact O-N 3.41Å
148	S	96.5	Very high	95.8	Very high	41 Å²	41	57.1 Å²	57.1	29%	0.287	31%	0.309	S	S	.	.			trans	-156.2	168.4	-177.9	70	0	0	0	0	113.1	K131 K146 S150	K131-S148 WeakPolarHBondContact CE-O 3.33Å; K131-S148 PolarHBondContact NZ-O 3.17Å; K146-S148 WeakPolarHBondContact CE-O 3.32Å; S148-S150 PolarHBondContact O-N 3.1Å; S148-S150 PolarHBondContact OG-N 3.23Å; S148-S150 PolarHBondContact OG-O 3.28Å
149	D	97.1	Very high	96	Very high	102 Å²	102	53.8 Å²	53.8	55%	0.545	28%	0.282	S	S	.	.	S	Bend	trans	-85.1	24.6	170.7	-63.4	-53.7	0	0	0	112.9	D13 K146	D13-D149 VanDerWaalsContact CG-O 3.31Å; D13-D149 PolarHBondContact N-O 3.48Å; K146-D149 WeakPolarHBondContact CE-OD1 3.4Å; K146-D149 IonicContact NZ-OD1 3.61Å; K146-D149 PolarHBondContact NZ-OD1 3.43Å
150	S	97.5	Very high	96.1	Very high	22 Å²	22	54.6 Å²	54.6	15%	0.154	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	162.8	-176.4	-59.5	0	0	0	0	112.3	V11 K131 S148	V11-S150 CarbonylContact O-C 3.47Å; V11-S150 WeakPolarHBondContact O-CA 3.43Å; V11-S150 WeakPolarHBondContact O-CB 3.27Å; K131-S150 WeakPolarHBondContact CD-O 3.17Å; K131-S150 VanDerWaalsContact NZ-N 3.2Å; K131-S150 PolarHBondContact NZ-O 3.47Å; S148-S150 PolarHBondContact O-N 3.1Å; S148-S150 PolarHBondContact OG-N 3.23Å; S148-S150 PolarHBondContact OG-O 3.28Å
151	Y	98.2	Very high	95.7	Very high	47 Å²	47	57.2 Å²	57.2	18%	0.184	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	134.5	164.1	-73.9	-103.4	0	0	0	108.8	S10 V11 D13 Y16 V129 S130 K131	S10-Y151 CarbonylContact C-O 3.59Å; S10-Y151 WeakPolarHBondContact CA-O 3.5Å; S10-Y151 WeakPolarHBondContact CB-O 3.02Å; V11-Y151 PolarHBondContact N-O 2.88Å; V11-Y151 PolarHBondContact O-N 3.2Å; D13-Y151 WeakPolarHBondContact OD1-CD2 3.28Å; D13-Y151 VanDerWaalsContact OD1-CE2 3.23Å; D13-Y151 WeakPolarHBondContact OD1-CE2 3.46Å; Y16-Y151 HydrophobicContact CD1-CE2 4.17Å; Y16-Y151 AromaticContact CD2-CD1 3.56Å; Y16-Y151 HydrophobicContact CD2-CD1 3.56Å; Y16-Y151 AromaticContact CD2-CD2 3.58Å; Y16-Y151 HydrophobicContact CD2-CD2 3.58Å; Y16-Y151 AromaticContact CD2-CE1 3.7Å; Y16-Y151 HydrophobicContact CD2-CE1 3.7Å; Y16-Y151 AromaticContact CD2-CE2 3.72Å; Y16-Y151 HydrophobicContact CD2-CE2 3.72Å; Y16-Y151 AromaticContact CD2-CG 3.5Å; Y16-Y151 HydrophobicContact CD2-CG 3.5Å; Y16-Y151 AromaticContact CD2-CZ 3.77Å; Y16-Y151 HydrophobicContact CE1-CE1 4.27Å; Y16-Y151 AromaticContact CE2-CD1 3.4Å; Y16-Y151 HydrophobicContact CE2-CD1 3.4Å; Y16-Y151 VanDerWaalsContact CE2-CD1 3.4Å; Y16-Y151 HydrophobicContact CE2-CD2 4.27Å; Y16-Y151 AromaticContact CE2-CE1 3.38Å; Y16-Y151 HydrophobicContact CE2-CE1 3.38Å; Y16-Y151 HydrophobicContact CE2-CE2 4.26Å; Y16-Y151 AromaticContact CE2-CG 3.88Å; Y16-Y151 HydrophobicContact CE2-CG 3.88Å; Y16-Y151 AromaticContact CE2-CZ 3.83Å; Y16-Y151 HydrophobicContact CG-CD1 4.44Å; Y16-Y151 AromaticContact CG-CD2 3.85Å; Y16-Y151 HydrophobicContact CG-CD2 3.85Å; Y16-Y151 HydrophobicContact CG-CE1 4.25Å; Y16-Y151 AromaticContact CG-CE2 3.64Å; Y16-Y151 HydrophobicContact CG-CE2 3.64Å; Y16-Y151 HydrophobicContact CG-CG 4.25Å; Y16-Y151 AromaticContact CG-CZ 3.85Å; Y16-Y151 AromaticContact CZ-CE1 3.67Å; Y16-Y151 AromaticContact CZ-CZ 3.95Å; V129-Y151 HydrophobicContact CG1-CD1 4.23Å; V129-Y151 HydrophobicContact CG1-CG 4.38Å; S130-Y151 CarbonylContact O-C 3.55Å; S130-Y151 VanDerWaalsContact O-CA 3.31Å; S130-Y151 WeakPolarHBondContact O-CA 3.47Å; K131-Y151 HydrophobicContact CB-CD1 4.08Å; K131-Y151 HydrophobicContact CB-CE1 3.74Å; K131-Y151 HydrophobicContact CD-CD1 4.35Å; K131-Y151 HydrophobicContact CD-CD2 4.18Å; K131-Y151 HydrophobicContact CD-CE1 4.12Å; K131-Y151 HydrophobicContact CD-CE2 3.94Å; K131-Y151 HydrophobicContact CD-CG 4.38Å; K131-Y151 HydrophobicContact CG-CE1 4.49Å
152	L	97.9	Very high	95.2	Very high	53 Å²	53	65 Å²	65	28%	0.277	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	132.7	168.8	179	65.7	0	0	0	108.6	V129 S130 I132 E154	V129-L152 WeakPolarHBondContact CA-O 3.32Å; S130-L152 PolarHBondContact N-O 2.84Å; S130-L152 PolarHBondContact O-N 2.84Å; I132-L152 HydrophobicContact CD1-CD2 4.17Å; I132-L152 HydrophobicContact CG1-CB 4.13Å; I132-L152 HydrophobicContact CG1-CD2 4.24Å; L152-E154 HydrophobicContact CD2-CG 4.12Å; L152-E154 WeakPolarHBondContact CD2-OE1 3.34Å; L152-E154 HydrophobicContact CG-CG 4.02Å
153	V	98.2	Very high	94.8	Very high	11 Å²	11	63 Å²	63	7%	0.067	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	122.2	175	-175.7	0	0	0	0	108	F8 G9 V11 L19 T128 V129 I155	F8-V153 CarbonylContact C-O 3.57Å; F8-V153 WeakPolarHBondContact CA-O 3.48Å; G9-V153 PolarHBondContact N-O 3.48Å; G9-V153 PolarHBondContact O-N 3.26Å; V11-V153 HydrophobicContact CG2-CG2 4.32Å; L19-V153 HydrophobicContact CD2-CG2 3.56Å; T128-V153 WeakPolarHBondContact O-CA 3.49Å; V129-V153 HydrophobicContact CG1-CG2 4.33Å; V129-V153 HydrophobicContact CG2-CG1 4.47Å; V129-V153 HydrophobicContact CG2-CG2 4.44Å; V153-I155 HydrophobicContact CG1-CG1 4.46Å
154	E	98.3	Very high	94.2	Very high	56 Å²	56	61.8 Å²	61.8	26%	0.262	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	133.9	173.5	-38.5	-175.6	142.9	0	0	109.6	L7 F8 I127 T128 L152	L7-E154 WeakPolarHBondContact O-CA 3.48Å; F8-E154 HydrophobicContact CD1-CB 4.19Å; F8-E154 HydrophobicContact CD1-CG 3.78Å; F8-E154 HydrophobicContact CE1-CB 4.27Å; F8-E154 HydrophobicContact CE1-CG 3.92Å; F8-E154 WeakPolarHBondContact CE1-OE1 3.33Å; I127-E154 CarbonylContact C-O 3.58Å; I127-E154 VanDerWaalsContact CA-O 3.31Å; I127-E154 WeakPolarHBondContact CA-O 3.33Å; T128-E154 PolarHBondContact N-O 3.47Å; T128-E154 PolarHBondContact O-N 2.87Å; T128-E154 VanDerWaalsContact OG1-CB 3.28Å; T128-E154 WeakPolarHBondContact OG1-CB 3.46Å; T128-E154 WeakPolarHBondContact OG1-CG 3.47Å; T128-E154 PolarHBondContact OG1-OE2 3.27Å; L152-E154 HydrophobicContact CD2-CG 4.12Å; L152-E154 WeakPolarHBondContact CD2-OE1 3.34Å; L152-E154 HydrophobicContact CG-CG 4.02Å
155	I	98.5	Very high	93.9	Very high	8 Å²	8	65.4 Å²	65.4	4%	0.041	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	118.5	174.7	-56.1	167	0	0	0	106.2	V6 L7 I125 K126 I127 V153 V170 F173 A174 L177	V6-I155 CarbonylContact C-O 3.55Å; V6-I155 VanDerWaalsContact CA-O 3.32Å; V6-I155 WeakPolarHBondContact CA-O 3.36Å; L7-I155 PolarHBondContact N-O 2.91Å; L7-I155 PolarHBondContact O-N 3.17Å; I125-I155 HydrophobicContact CG2-CG2 3.47Å; I125-I155 VanDerWaalsContact CG2-CG2 3.47Å; K126-I155 WeakPolarHBondContact O-CA 3.4Å; I127-I155 HydrophobicContact CG1-CG1 4.27Å; I127-I155 HydrophobicContact CG1-CG2 4.28Å; I127-I155 HydrophobicContact CG2-CG1 4.19Å; V153-I155 HydrophobicContact CG1-CG1 4.46Å; I155-V170 HydrophobicContact CB-CG1 4.44Å; I155-V170 HydrophobicContact CG2-CG1 3.91Å; I155-F173 HydrophobicContact CD1-CD1 4.22Å; I155-F173 HydrophobicContact CG2-CD1 4.41Å; I155-A174 HydrophobicContact CD1-CB 3.55Å; I155-L177 HydrophobicContact CD1-CD1 3.92Å
156	S	97.9	Very high	93.8	Very high	7 Å²	7	62.3 Å²	62.3	5%	0.049	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	149.1	-173.8	56.7	0	0	0	0	111.6	Y5 I125 K126	Y5-S156 CarbonylContact O-C 3.58Å; Y5-S156 VanDerWaalsContact O-CA 3.25Å; Y5-S156 WeakPolarHBondContact O-CA 3.36Å; I125-S156 CarbonylContact C-O 3.54Å; I125-S156 WeakPolarHBondContact CA-O 3.48Å; K126-S156 WeakPolarHBondContact CE-OG 3.41Å; K126-S156 PolarHBondContact N-O 2.92Å; K126-S156 PolarHBondContact O-N 2.85Å
157	A	97.6	Very high	93.8	Very high	2 Å²	2	56.7 Å²	56.7	2%	0.017	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	141.4	168	0	0	0	0	0	109.5	E4 Y5 I125 V166 V170	E4-A157 WeakPolarHBondContact CA-O 3.46Å; Y5-A157 PolarHBondContact N-O 3.05Å; Y5-A157 PolarHBondContact O-N 2.97Å; I125-A157 HydrophobicContact CG1-CB 4.41Å; A157-V166 HydrophobicContact CB-CG1 3.46Å; A157-V166 VanDerWaalsContact CB-CG1 3.46Å; A157-V170 HydrophobicContact CB-CG2 3.69Å
158	L	95.8	Very high	93.8	Very high	85 Å²	85	54.1 Å²	54.1	45%	0.445	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	131.3	171.6	-61.9	-178.1	0	0	0	108.8	A2 Q3 E4	A2-L158 HydrophobicContact CB-CB 4.33Å; A2-L158 HydrophobicContact CB-CD1 4.4Å; A2-L158 HydrophobicContact CB-CD2 4.18Å; Q3-L158 WeakPolarHBondContact O-CA 3.22Å; E4-L158 HydrophobicContact CB-CD2 3.71Å; E4-L158 HydrophobicContact CG-CD2 4.14Å
159	A	93.9	Very high	93.8	Very high	12 Å²	12	54.4 Å²	54.4	10%	0.099	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	168.9	176.4	0	0	0	0	0	111.7	Q3 Y5 Q163 V166	Q3-A159 WeakPolarHBondContact CB-O 3.37Å; Q3-A159 PolarHBondContact N-O 2.81Å; Q3-A159 VanDerWaalsContact N-O 3.14Å; Q3-A159 PolarHBondContact O-N 2.87Å; Y5-A159 HydrophobicContact CD2-CB 4.38Å; Y5-A159 HydrophobicContact CE2-CB 3.86Å; A159-Q163 HydrophobicContact CB-CB 3.93Å; A159-V166 HydrophobicContact CB-CB 4.18Å; A159-V166 HydrophobicContact CB-CG1 4.26Å; A159-V166 HydrophobicContact CB-CG2 3.8Å
160	A	90.5	Very high	93.8	Very high	43 Å²	43	49.6 Å²	49.6	36%	0.355	27%	0.27	S	S	.	.			trans	-69.6	151.6	166.8	0	0	0	0	0	110	M162 Q163	A160-M162 PolarHBondContact O-N 2.89Å; A160-Q163 HydrophobicContact CB-CG 4.33Å; A160-Q163 WeakPolarHBondContact O-CB 3.26Å; A160-Q163 PolarHBondContact O-N 3.09Å
161	P	83	Confident	93.8	Very high	93 Å²	93	51.9 Å²	51.9	60%	0.604	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-28.4	179.4	-28	35.5	0	0	0	114.6	Q163	P161-Q163 PolarHBondContact O-N 2.84Å
162	M	82.2	Confident	93.7	Very high	175 Å²	175	55.2 Å²	55.2	86%	0.862	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-11.3	177.9	-64.2	-178.4	-78.9	0	0	113.7	A160 S164	A160-M162 PolarHBondContact O-N 2.89Å; M162-S164 PolarHBondContact O-N 3.05Å
163	Q	86.6	Confident	93.7	Very high	73 Å²	73	53.2 Å²	53.2	34%	0.341	28%	0.282	S	S	.	.			trans	-98.8	49	-176.3	-63.6	176.2	-47	0	0	111.7	A159 A160 P161 Y165 V166	A159-Q163 HydrophobicContact CB-CB 3.93Å; A160-Q163 HydrophobicContact CB-CG 4.33Å; A160-Q163 WeakPolarHBondContact O-CB 3.26Å; A160-Q163 PolarHBondContact O-N 3.09Å; P161-Q163 PolarHBondContact O-N 2.84Å; Q163-Y165 HydrophobicContact CB-CD1 4.28Å; Q163-Y165 HydrophobicContact CB-CE1 3.66Å; Q163-Y165 HydrophobicContact CG-CE1 3.87Å; Q163-Y165 PolarHBondContact NE2-OH 2.93Å; Q163-Y165 PolarHBondContact O-N 2.84Å; Q163-Y165 VanDerWaalsContact O-N 3.13Å; Q163-V166 HydrophobicContact CB-CG2 4.14Å; Q163-V166 WeakPolarHBondContact O-CB 3.28Å; Q163-V166 VanDerWaalsContact O-CG2 3.29Å; Q163-V166 WeakPolarHBondContact O-CG2 3.41Å; Q163-V166 PolarHBondContact O-N 2.91Å; Q163-V166 VanDerWaalsContact O-N 3.09Å
164	S	83.6	Confident	93.7	Very high	77 Å²	77	53.3 Å²	53.3	54%	0.538	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-20	-176.8	57.6	0	0	0	0	114.3	M162 V166 A167	M162-S164 PolarHBondContact O-N 3.05Å; S164-V166 PolarHBondContact O-N 2.85Å; S164-V166 VanDerWaalsContact O-N 3.13Å; S164-A167 WeakPolarHBondContact O-CB 3.02Å; S164-A167 PolarHBondContact O-N 3.08Å; S164-A167 VanDerWaalsContact O-N 3.11Å
165	Y	90.9	Very high	93.6	Very high	134 Å²	134	53.5 Å²	53.5	53%	0.525	29%	0.287	S	S	.	.	H	α-helix	trans	-58	-23.6	173.1	65.9	-95.4	0	0	0	113.1	Q163 A167 N168 S169	Q163-Y165 HydrophobicContact CB-CD1 4.28Å; Q163-Y165 HydrophobicContact CB-CE1 3.66Å; Q163-Y165 HydrophobicContact CG-CE1 3.87Å; Q163-Y165 PolarHBondContact NE2-OH 2.93Å; Q163-Y165 PolarHBondContact O-N 2.84Å; Q163-Y165 VanDerWaalsContact O-N 3.13Å; Y165-A167 PolarHBondContact O-N 2.92Å; Y165-N168 WeakPolarHBondContact O-CB 3.44Å; Y165-N168 PolarHBondContact O-N 3.28Å; Y165-S169 PolarHBondContact O-N 3.48Å
166	V	94.4	Very high	93.4	Very high	10 Å²	10	58 Å²	58	6%	0.061	31%	0.308	C	S	.	.	H	α-helix	trans	-60.6	-31	177.4	173.6	0	0	0	0	111.7	Y5 A157 A159 Q163 S164 N168 S169 V170	Y5-V166 HydrophobicContact CD2-CB 4.16Å; Y5-V166 HydrophobicContact CD2-CG1 3.87Å; Y5-V166 HydrophobicContact CE2-CB 4.27Å; Y5-V166 HydrophobicContact CE2-CG1 4.42Å; Y5-V166 HydrophobicContact CG-CG1 4.4Å; A157-V166 HydrophobicContact CB-CG1 3.46Å; A157-V166 VanDerWaalsContact CB-CG1 3.46Å; A159-V166 HydrophobicContact CB-CB 4.18Å; A159-V166 HydrophobicContact CB-CG1 4.26Å; A159-V166 HydrophobicContact CB-CG2 3.8Å; Q163-V166 HydrophobicContact CB-CG2 4.14Å; Q163-V166 WeakPolarHBondContact O-CB 3.28Å; Q163-V166 VanDerWaalsContact O-CG2 3.29Å; Q163-V166 WeakPolarHBondContact O-CG2 3.41Å; Q163-V166 PolarHBondContact O-N 2.91Å; Q163-V166 VanDerWaalsContact O-N 3.09Å; S164-V166 PolarHBondContact O-N 2.85Å; S164-V166 VanDerWaalsContact O-N 3.13Å; V166-N168 VanDerWaalsContact C-N 3.3Å; V166-N168 PolarHBondContact O-N 3.05Å; V166-S169 PolarHBondContact O-N 3.42Å; V166-V170 HydrophobicContact CG1-CG2 4.44Å; V166-V170 WeakPolarHBondContact O-CG2 3.31Å; V166-V170 PolarHBondContact O-N 3.36Å
167	A	94.9	Very high	93.2	Very high	3 Å²	3	58.7 Å²	58.7	3%	0.025	31%	0.311	C	S	.	.	H	α-helix	trans	-58.3	-43.8	173.9	0	0	0	0	0	111.6	Y5 P82 T83 S164 Y165 V170 R171	Y5-A167 HydrophobicContact CD1-CB 3.51Å; Y5-A167 HydrophobicContact CE1-CB 3.9Å; Y5-A167 HydrophobicContact CG-CB 4.33Å; P82-A167 HydrophobicContact CG-CB 4.15Å; T83-A167 HydrophobicContact CG2-CB 4.19Å; T83-A167 VanDerWaalsContact CG2-O 3.29Å; T83-A167 WeakPolarHBondContact CG2-O 3.15Å; S164-A167 WeakPolarHBondContact O-CB 3.02Å; S164-A167 PolarHBondContact O-N 3.08Å; S164-A167 VanDerWaalsContact O-N 3.11Å; Y165-A167 PolarHBondContact O-N 2.92Å; A167-V170 PolarHBondContact O-N 2.86Å; A167-R171 PolarHBondContact O-N 2.82Å
168	N	95.5	Very high	92.6	Very high	83 Å²	83	64.3 Å²	64.3	44%	0.444	34%	0.335	S	S	.	.	H	α-helix	trans	-66.5	-42.5	177.8	-65.8	-33.9	0	0	0	110.9	P82 Y165 V166 V170 R171 E172	P82-N168 WeakPolarHBondContact CG-OD1 3.45Å; Y165-N168 WeakPolarHBondContact O-CB 3.44Å; Y165-N168 PolarHBondContact O-N 3.28Å; V166-N168 VanDerWaalsContact C-N 3.3Å; V166-N168 PolarHBondContact O-N 3.05Å; N168-V170 VanDerWaalsContact C-N 3.32Å; N168-V170 PolarHBondContact O-N 3.25Å; N168-R171 WeakPolarHBondContact O-CB 3.49Å; N168-R171 PolarHBondContact O-N 2.97Å; N168-R171 VanDerWaalsContact O-N 3.12Å; N168-E172 WeakPolarHBondContact O-CB 3.37Å; N168-E172 VanDerWaalsContact O-CG 3.27Å; N168-E172 WeakPolarHBondContact O-CG 3.49Å; N168-E172 PolarHBondContact O-N 3.18Å
169	S	96.5	Very high	91.3	Very high	47 Å²	47	68.6 Å²	68.6	33%	0.329	37%	0.368	S	S	.	.	H	α-helix	trans	-61.2	-39.6	176.8	-54.7	0	0	0	0	112.7	Y165 V166 F173	Y165-S169 PolarHBondContact O-N 3.48Å; V166-S169 PolarHBondContact O-N 3.42Å; S169-F173 PolarHBondContact O-N 3.17Å
170	V	97.8	Very high	91.2	Very high	0 Å²	0	71.4 Å²	71.4	0%	0	38%	0.381	C	S	.	.	H	α-helix	trans	-62.6	-44.4	173.6	166.7	0	0	0	0	110.9	L7 T83 I125 I155 A157 V166 A167 N168 A174	L7-V170 HydrophobicContact CB-CG1 4.49Å; L7-V170 HydrophobicContact CD1-CG1 4.02Å; L7-V170 HydrophobicContact CG-CG1 4.13Å; T83-V170 HydrophobicContact CG2-CB 3.95Å; T83-V170 HydrophobicContact CG2-CG1 3.69Å; I125-V170 HydrophobicContact CG1-CG2 4.34Å; I155-V170 HydrophobicContact CB-CG1 4.44Å; I155-V170 HydrophobicContact CG2-CG1 3.91Å; A157-V170 HydrophobicContact CB-CG2 3.69Å; V166-V170 HydrophobicContact CG1-CG2 4.44Å; V166-V170 WeakPolarHBondContact O-CG2 3.31Å; V166-V170 PolarHBondContact O-N 3.36Å; A167-V170 PolarHBondContact O-N 2.86Å; N168-V170 VanDerWaalsContact C-N 3.32Å; N168-V170 PolarHBondContact O-N 3.25Å; V170-A174 WeakPolarHBondContact O-CB 3.36Å; V170-A174 PolarHBondContact O-N 3.14Å
171	R	97	Very high	91.2	Very high	70 Å²	70	72.9 Å²	72.9	26%	0.264	38%	0.382	S	S	.	.	H	α-helix	trans	-63.2	-47.6	176.7	178.7	68.9	-114.9	165.2	3.1	112.3	P82 A167 N168 F173 A174 D175	P82-R171 HydrophobicContact CB-CB 3.77Å; P82-R171 HydrophobicContact CB-CG 3.7Å; P82-R171 HydrophobicContact CG-CB 3.8Å; P82-R171 HydrophobicContact CG-CG 4.24Å; A167-R171 PolarHBondContact O-N 2.82Å; N168-R171 WeakPolarHBondContact O-CB 3.49Å; N168-R171 PolarHBondContact O-N 2.97Å; N168-R171 VanDerWaalsContact O-N 3.12Å; R171-F173 VanDerWaalsContact C-N 3.32Å; R171-F173 PolarHBondContact O-N 3.23Å; R171-A174 CarbonylContact O-C 3.59Å; R171-A174 WeakPolarHBondContact O-CB 3.18Å; R171-A174 PolarHBondContact O-N 3.12Å; R171-A174 VanDerWaalsContact O-N 3.12Å; R171-D175 IonicContact CZ-OD1 3.71Å; R171-D175 IonicContact CZ-OD2 3.82Å; R171-D175 VanDerWaalsContact NE-CG 3.35Å; R171-D175 IonicContact NE-OD1 2.87Å; R171-D175 PolarHBondContact NE-OD1 3.24Å; R171-D175 IonicContact NE-OD2 2.65Å; R171-D175 PolarHBondContact NE-OD2 3.21Å; R171-D175 IonicContact NH2-OD1 3.72Å; R171-D175 PolarHBondContact NH2-OD1 2.87Å; R171-D175 IonicContact NH2-OD2 3.68Å; R171-D175 PolarHBondContact O-N 2.98Å
172	E	96.8	Very high	91.7	Very high	118 Å²	118	71.8 Å²	71.8	55%	0.551	37%	0.37	S	S	*	.	H	α-helix	trans	-60.5	-40	179.5	-75	168.5	-171.9	0	0	111.8	N168 Q176	N168-E172 WeakPolarHBondContact O-CB 3.37Å; N168-E172 VanDerWaalsContact O-CG 3.27Å; N168-E172 WeakPolarHBondContact O-CG 3.49Å; N168-E172 PolarHBondContact O-N 3.18Å; E172-Q176 WeakPolarHBondContact O-CG 3.41Å; E172-Q176 PolarHBondContact O-N 3.4Å; E172-Q176 PolarHBondContact O-NE2 3.14Å
173	F	97.9	Very high	92.2	Very high	10 Å²	10	65.7 Å²	65.7	4%	0.044	34%	0.341	C	S	.	.	H	α-helix	trans	-65.7	-45.8	172.8	-169.4	-84.2	0	0	0	111	L26 K122 I125 I127 I155 S169 R171 D175 Q176 L177	L26-F173 HydrophobicContact CB-CE2 3.81Å; L26-F173 HydrophobicContact CB-CZ 4.02Å; K122-F173 HydrophobicContact CB-CD2 4.26Å; K122-F173 HydrophobicContact CB-CE2 3.87Å; K122-F173 HydrophobicContact CG-CD2 4.09Å; K122-F173 HydrophobicContact CG-CE2 3.91Å; I125-F173 HydrophobicContact CD1-CB 4.11Å; I127-F173 HydrophobicContact CD1-CD1 4.45Å; I127-F173 HydrophobicContact CD1-CE1 3.81Å; I127-F173 HydrophobicContact CD1-CZ 3.83Å; I127-F173 HydrophobicContact CG1-CD1 4.19Å; I127-F173 HydrophobicContact CG1-CE1 3.62Å; I127-F173 HydrophobicContact CG1-CZ 4.16Å; I155-F173 HydrophobicContact CD1-CD1 4.22Å; I155-F173 HydrophobicContact CG2-CD1 4.41Å; S169-F173 PolarHBondContact O-N 3.17Å; R171-F173 VanDerWaalsContact C-N 3.32Å; R171-F173 PolarHBondContact O-N 3.23Å; F173-D175 VanDerWaalsContact C-N 3.28Å; F173-D175 PolarHBondContact O-N 2.96Å; F173-Q176 WeakPolarHBondContact O-CB 3.45Å; F173-Q176 PolarHBondContact O-N 3.33Å; F173-Q176 VanDerWaalsContact O-N 3.16Å; F173-L177 HydrophobicContact CD1-CD1 4.38Å; F173-L177 HydrophobicContact CE1-CD1 4.02Å; F173-L177 HydrophobicContact CE1-CD2 4.31Å; F173-L177 HydrophobicContact CE1-CG 4.28Å
174	A	97.4	Very high	92.6	Very high	13 Å²	13	65.3 Å²	65.3	11%	0.107	34%	0.341	C	S	.	.	H	α-helix	trans	-60.9	-36	178.6	0	0	0	0	0	112.7	L7 I155 V170 R171 Q176 L177	L7-A174 HydrophobicContact CD1-CB 3.8Å; I155-A174 HydrophobicContact CD1-CB 3.55Å; V170-A174 WeakPolarHBondContact O-CB 3.36Å; V170-A174 PolarHBondContact O-N 3.14Å; R171-A174 CarbonylContact O-C 3.59Å; R171-A174 WeakPolarHBondContact O-CB 3.18Å; R171-A174 PolarHBondContact O-N 3.12Å; R171-A174 VanDerWaalsContact O-N 3.12Å; A174-Q176 VanDerWaalsContact C-N 3.29Å; A174-Q176 PolarHBondContact O-N 3.18Å; A174-L177 PolarHBondContact O-N 2.91Å; A174-L177 VanDerWaalsContact O-N 3.14Å
175	D	96.5	Very high	93.2	Very high	61 Å²	61	64.5 Å²	64.5	33%	0.326	33%	0.328	S	S	.	.	H	α-helix	trans	-64.1	-32.3	176.9	-80.9	-42.9	0	0	0	113.1	R171 F173 L177 K178	R171-D175 IonicContact CZ-OD1 3.71Å; R171-D175 IonicContact CZ-OD2 3.82Å; R171-D175 VanDerWaalsContact NE-CG 3.35Å; R171-D175 IonicContact NE-OD1 2.87Å; R171-D175 PolarHBondContact NE-OD1 3.24Å; R171-D175 IonicContact NE-OD2 2.65Å; R171-D175 PolarHBondContact NE-OD2 3.21Å; R171-D175 IonicContact NH2-OD1 3.72Å; R171-D175 PolarHBondContact NH2-OD1 2.87Å; R171-D175 IonicContact NH2-OD2 3.68Å; R171-D175 PolarHBondContact O-N 2.98Å; F173-D175 VanDerWaalsContact C-N 3.28Å; F173-D175 PolarHBondContact O-N 2.96Å; D175-L177 PolarHBondContact O-N 3.33Å; D175-K178 WeakPolarHBondContact O-CB 3.28Å; D175-K178 PolarHBondContact O-N 3.03Å; D175-K178 WeakPolarHBondContact OD1-CE 3.32Å; D175-K178 IonicContact OD1-NZ 3.51Å; D175-K178 PolarHBondContact OD1-NZ 2.88Å
176	Q	95.5	Very high	93.3	Very high	102 Å²	102	59.5 Å²	59.5	48%	0.477	31%	0.314	S	S	.	.	H	α-helix	trans	-70.5	-16.1	175.5	-66.9	173.8	68.4	0	0	113	R22 L26 E172 F173 A174	R22-Q176 WeakPolarHBondContact CD-O 3.48Å; L26-Q176 HydrophobicContact CD1-CB 3.73Å; L26-Q176 VanDerWaalsContact CD2-OE1 3.27Å; E172-Q176 WeakPolarHBondContact O-CG 3.41Å; E172-Q176 PolarHBondContact O-N 3.4Å; E172-Q176 PolarHBondContact O-NE2 3.14Å; F173-Q176 WeakPolarHBondContact O-CB 3.45Å; F173-Q176 PolarHBondContact O-N 3.33Å; F173-Q176 VanDerWaalsContact O-N 3.16Å; A174-Q176 VanDerWaalsContact C-N 3.29Å; A174-Q176 PolarHBondContact O-N 3.18Å
177	L	93.8	Very high	93.2	Very high	22 Å²	22	63.3 Å²	63.3	12%	0.115	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-6.9	177.4	-55.3	-172.1	0	0	0	113.6	L19 R22 I23 L26 I155 F173 A174 D175	L19-L177 HydrophobicContact CD1-CB 4.25Å; L19-L177 HydrophobicContact CD1-CD1 4.29Å; L19-L177 HydrophobicContact CD1-CD2 4.41Å; R22-L177 HydrophobicContact CG-CD2 4.32Å; I23-L177 HydrophobicContact CD1-CD1 4.33Å; I23-L177 HydrophobicContact CG1-CD1 4.06Å; I23-L177 HydrophobicContact CG1-CD2 3.76Å; L26-L177 HydrophobicContact CD1-CD2 3.85Å; I155-L177 HydrophobicContact CD1-CD1 3.92Å; F173-L177 HydrophobicContact CD1-CD1 4.38Å; F173-L177 HydrophobicContact CE1-CD1 4.02Å; F173-L177 HydrophobicContact CE1-CD2 4.31Å; F173-L177 HydrophobicContact CE1-CG 4.28Å; A174-L177 PolarHBondContact O-N 2.91Å; A174-L177 VanDerWaalsContact O-N 3.14Å; D175-L177 PolarHBondContact O-N 3.33Å
178	K	84.8	Confident	93.1	Very high	120 Å²	120	68.3 Å²	68.3	52%	0.522	36%	0.359	S	S	.	.			trans	-61	134.5	174.9	-74.7	175	169.5	166.6	0	109.4	R22 D175	R22-K178 PolarHBondContact NH1-O 2.66Å; D175-K178 WeakPolarHBondContact O-CB 3.28Å; D175-K178 PolarHBondContact O-N 3.03Å; D175-K178 WeakPolarHBondContact OD1-CE 3.32Å; D175-K178 IonicContact OD1-NZ 3.51Å; D175-K178 PolarHBondContact OD1-NZ 2.88Å
179	P	67.9	Low	92.9	Very high	174 Å²	174	67 Å²	67	100%	1.13	35%	0.351	S	S	*	.			trans	-43	0	-177.4	-30.7	35	0	0	0	113.7	R22	R22-P179 PolarHBondContact NH1-OXT 3.45Å; R22-P179 PolarHBondContact NH2-OXT 3.41Å

Retrieved 179 of 179 residues in 232.7 ms (Link to these results)

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