A0A096N1K8_PAPAN Loading...

Claudin-18

Involved in alveolar fluid homeostasis via regulation of alveolar epithelial tight junction composition and therefore ion transport and solute permeability, potentially via downstream regulation of the actin cytoskeleton organization and beta-2-adrenergic signaling. Required for lung alveolarization and maintenance of the paracellular alveolar epithelial barrier. Acts to maintain epithelial progenitor cell proliferation and organ size, via regulation of YAP1 localization away from the nucleus and thereby restriction of YAP1 target gene transcription. Acts as a negative regulator of RANKL-induced osteoclast differentiation, potentially via relocation of TJP2/ZO-2 away from the nucleus, subsequently involved in bone resorption in response to calcium deficiency. Mediates the osteoprotective effects of estrogen, potentially via acting downstream of estrogen signaling independently of RANKL signaling pathways. Required for the formation of the gastric paracellular barrier via its role in tight junction formation, thereby involved in the response to gastric acidification.

AlphaFold DB (A0A2K5MCM2), UniProt , Accession A0A096N1K8, Species PAPAN (Papio anubis, Olive baboon), Gene CLDN18, Length 261 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	55.5	Low	84.5	Confident	196 Å²	196	60.2 Å²	60.2	97%	0.966	35%	0.352	S	S	*	.				0	-50.1	0	-63.8	-52.8	178.4	0	0	112	T3 T4 T5	M1-T3 PolarHBondContact O-N 3.5Å; M1-T4 PolarHBondContact O-N 3.42Å; M1-T5 PolarHBondContact O-N 3.1Å; M1-T5 PolarHBondContact O-OG1 3.22Å
2	S	73.9	Confident	85.4	Confident	102 Å²	102	63 Å²	63	71%	0.713	36%	0.363	S	S	*	.	H	α-helix	trans	-60.2	-36.4	-175	-43.5	0	0	0	0	115.6	T5 C6	S2-T5 PolarHBondContact O-N 2.97Å; S2-C6 WeakPolarHBondContact O-CB 3.31Å; S2-C6 PolarHBondContact O-N 2.92Å
3	T	79.7	Confident	86.3	Confident	48 Å²	48	61.2 Å²	61.2	29%	0.294	35%	0.352	S	S	.	.	H	α-helix	trans	-70	-40	-179.7	50.2	0	0	0	0	112.7	M1 C6 Q7	M1-T3 PolarHBondContact O-N 3.5Å; T3-C6 PolarHBondContact O-N 3.09Å; T3-Q7 WeakPolarHBondContact O-CB 3.05Å; T3-Q7 PolarHBondContact O-N 2.84Å
4	T	82.9	Confident	87	Confident	44 Å²	44	56.9 Å²	56.9	27%	0.27	33%	0.326	S	S	.	.	H	α-helix	trans	-64	-42.9	175.1	-48.7	0	0	0	0	111.3	M1 Q7 V8	M1-T4 PolarHBondContact O-N 3.42Å; T4-Q7 PolarHBondContact O-N 3.5Å; T4-V8 WeakPolarHBondContact O-CG2 3.25Å; T4-V8 PolarHBondContact O-N 3.06Å
5	T	86.6	Confident	87.6	Confident	88 Å²	88	56.9 Å²	56.9	54%	0.54	33%	0.325	S	S	.	.	H	α-helix	trans	-62.6	-45.1	176.2	-51.9	0	0	0	0	111.4	M1 S2 Q7 V8 V9	M1-T5 PolarHBondContact O-N 3.1Å; M1-T5 PolarHBondContact O-OG1 3.22Å; S2-T5 PolarHBondContact O-N 2.97Å; T5-Q7 VanDerWaalsContact C-N 3.33Å; T5-Q7 PolarHBondContact O-N 3.04Å; T5-V8 PolarHBondContact O-N 3.17Å; T5-V9 HydrophobicContact CG2-CG2 4.44Å; T5-V9 WeakPolarHBondContact O-CG2 3.22Å; T5-V9 PolarHBondContact O-N 3.07Å
6	C	88.3	Confident	88.2	Confident	34 Å²	34	60.3 Å²	60.3	23%	0.23	34%	0.341	C	S	.	.	H	α-helix	trans	-58.7	-44.3	175.9	-174.1	0	0	0	0	111.7	S2 T3 V8 V9 A10	S2-C6 WeakPolarHBondContact O-CB 3.31Å; S2-C6 PolarHBondContact O-N 2.92Å; T3-C6 PolarHBondContact O-N 3.09Å; C6-V8 PolarHBondContact O-N 2.92Å; C6-V9 PolarHBondContact O-N 2.92Å; C6-A10 VanDerWaalsContact O-CB 3.25Å; C6-A10 WeakPolarHBondContact O-CB 3.42Å; C6-A10 PolarHBondContact O-N 3.33Å
7	Q	90.2	Very high	88.7	Confident	2 Å²	2	56.8 Å²	56.8	1%	0.009	32%	0.321	C	S	.	.	H	α-helix	trans	-62.9	-42	178.4	-169	-179.7	5.4	0	0	112.4	T3 T4 T5 F11 A100 L101 A195	T3-Q7 WeakPolarHBondContact O-CB 3.05Å; T3-Q7 PolarHBondContact O-N 2.84Å; T4-Q7 PolarHBondContact O-N 3.5Å; T5-Q7 VanDerWaalsContact C-N 3.33Å; T5-Q7 PolarHBondContact O-N 3.04Å; Q7-F11 WeakPolarHBondContact O-CB 3.33Å; Q7-F11 PolarHBondContact O-N 3.03Å; Q7-A100 PolarHBondContact NE2-O 2.88Å; Q7-A100 VanDerWaalsContact NE2-O 3.12Å; Q7-L101 HydrophobicContact CG-CD2 4.11Å; Q7-A195 HydrophobicContact CB-CB 4.24Å
8	V	91	Very high	89.2	Confident	56 Å²	56	54.3 Å²	54.3	34%	0.339	31%	0.306	S	S	.	.	H	α-helix	trans	-67.9	-44.4	177.9	173	0	0	0	0	111.2	T4 T5 C6 A10 F11 L12	T4-V8 WeakPolarHBondContact O-CG2 3.25Å; T4-V8 PolarHBondContact O-N 3.06Å; T5-V8 PolarHBondContact O-N 3.17Å; C6-V8 PolarHBondContact O-N 2.92Å; V8-A10 VanDerWaalsContact C-N 3.34Å; V8-A10 PolarHBondContact O-N 2.92Å; V8-F11 WeakPolarHBondContact O-CB 3.41Å; V8-F11 PolarHBondContact O-N 2.9Å; V8-L12 HydrophobicContact CG1-CD1 4.21Å; V8-L12 HydrophobicContact CG1-CG 4.48Å; V8-L12 WeakPolarHBondContact O-CG 3.29Å; V8-L12 PolarHBondContact O-N 3.49Å
9	V	93.5	Very high	89.6	Confident	62 Å²	62	54.2 Å²	54.2	38%	0.376	31%	0.313	S	S	.	.	H	α-helix	trans	-61.8	-44.5	176.6	172.7	0	0	0	0	110.6	T5 C6 F11 L12 L13 M191	T5-V9 HydrophobicContact CG2-CG2 4.44Å; T5-V9 WeakPolarHBondContact O-CG2 3.22Å; T5-V9 PolarHBondContact O-N 3.07Å; C6-V9 PolarHBondContact O-N 2.92Å; V9-F11 VanDerWaalsContact C-N 3.32Å; V9-F11 PolarHBondContact O-N 3.39Å; V9-L12 PolarHBondContact O-N 2.96Å; V9-L13 HydrophobicContact CG1-CD1 3.95Å; V9-L13 HydrophobicContact CG1-CG 4.35Å; V9-L13 WeakPolarHBondContact O-CG 3.38Å; V9-L13 PolarHBondContact O-N 3.08Å; V9-M191 HydrophobicContact CB-CE 4.2Å; V9-M191 HydrophobicContact CG1-CE 3.81Å
10	A	93.8	Very high	89.9	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-57.1	-46.3	175.5	0	0	0	0	0	111.7	C6 V8 L12 L13 S14 M191 M192	C6-A10 VanDerWaalsContact O-CB 3.25Å; C6-A10 WeakPolarHBondContact O-CB 3.42Å; C6-A10 PolarHBondContact O-N 3.33Å; V8-A10 VanDerWaalsContact C-N 3.34Å; V8-A10 PolarHBondContact O-N 2.92Å; A10-L12 PolarHBondContact O-N 3.09Å; A10-L13 PolarHBondContact O-N 3.34Å; A10-S14 WeakPolarHBondContact O-CB 3.48Å; A10-S14 PolarHBondContact O-N 3Å; A10-S14 PolarHBondContact O-OG 3.22Å; A10-M191 HydrophobicContact CB-CB 3.63Å; A10-M192 HydrophobicContact CB-CB 4.46Å; A10-M192 HydrophobicContact CB-CG 3.68Å
11	F	94.2	Very high	90.2	Very high	30 Å²	30	49.8 Å²	49.8	13%	0.132	29%	0.291	C	S	.	.	H	α-helix	trans	-60.6	-44.9	177.1	178.2	-111	0	0	0	112.7	Q7 V8 V9 S14 I15 S97 I98 L101 M192	Q7-F11 WeakPolarHBondContact O-CB 3.33Å; Q7-F11 PolarHBondContact O-N 3.03Å; V8-F11 WeakPolarHBondContact O-CB 3.41Å; V8-F11 PolarHBondContact O-N 2.9Å; V9-F11 VanDerWaalsContact C-N 3.32Å; V9-F11 PolarHBondContact O-N 3.39Å; F11-S14 PolarHBondContact O-N 3.33Å; F11-I15 HydrophobicContact CD1-CD1 3.66Å; F11-I15 HydrophobicContact CD2-CD1 4.23Å; F11-I15 HydrophobicContact CE1-CD1 3.2Å; F11-I15 HydrophobicContact CE1-CG1 4.39Å; F11-I15 HydrophobicContact CE2-CD1 3.82Å; F11-I15 HydrophobicContact CE2-CG1 4.24Å; F11-I15 HydrophobicContact CG-CD1 4.16Å; F11-I15 HydrophobicContact CZ-CD1 3.3Å; F11-I15 HydrophobicContact CZ-CG1 4.17Å; F11-I15 WeakPolarHBondContact O-CG1 3.4Å; F11-I15 PolarHBondContact O-N 3.37Å; F11-S97 VanDerWaalsContact CD2-OG 3.31Å; F11-S97 WeakPolarHBondContact CD2-OG 3.24Å; F11-S97 VanDerWaalsContact CE2-OG 3.27Å; F11-S97 WeakPolarHBondContact CE2-OG 3.37Å; F11-I98 HydrophobicContact CE2-CG1 3.73Å; F11-I98 HydrophobicContact CZ-CD1 4.47Å; F11-I98 HydrophobicContact CZ-CG1 3.68Å; F11-L101 HydrophobicContact CB-CD2 4.47Å; F11-L101 HydrophobicContact CD1-CD1 4.12Å; F11-L101 HydrophobicContact CD2-CD1 4.42Å; F11-L101 HydrophobicContact CE1-CD1 4.03Å; F11-L101 HydrophobicContact CE2-CD1 4.36Å; F11-L101 HydrophobicContact CG-CD1 4.3Å; F11-L101 HydrophobicContact CZ-CD1 4.15Å; F11-M192 HydrophobicContact CB-CE 3.86Å; F11-M192 HydrophobicContact CD2-CE 4.24Å
12	L	95.7	Very high	92.1	Very high	94 Å²	94	44.7 Å²	44.7	49%	0.492	27%	0.267	S	S	.	.	H	α-helix	trans	-63.7	-43.4	177.3	-67.9	175.2	0	0	0	111.9	V8 V9 A10 I15 L16	V8-L12 HydrophobicContact CG1-CD1 4.21Å; V8-L12 HydrophobicContact CG1-CG 4.48Å; V8-L12 WeakPolarHBondContact O-CG 3.29Å; V8-L12 PolarHBondContact O-N 3.49Å; V9-L12 PolarHBondContact O-N 2.96Å; A10-L12 PolarHBondContact O-N 3.09Å; L12-I15 PolarHBondContact O-N 2.73Å; L12-L16 WeakPolarHBondContact O-CB 3.45Å; L12-L16 VanDerWaalsContact O-CG 3.32Å; L12-L16 WeakPolarHBondContact O-CG 3.45Å; L12-L16 PolarHBondContact O-N 3.3Å
13	L	96.2	Very high	93.2	Very high	40 Å²	40	42.3 Å²	42.3	21%	0.209	25%	0.253	C	S	.	.	H	α-helix	trans	-62	-43.1	175.8	-71.1	172.2	0	0	0	111.6	V9 A10 L16 G17 L184 I187 M191	V9-L13 HydrophobicContact CG1-CD1 3.95Å; V9-L13 HydrophobicContact CG1-CG 4.35Å; V9-L13 WeakPolarHBondContact O-CG 3.38Å; V9-L13 PolarHBondContact O-N 3.08Å; A10-L13 PolarHBondContact O-N 3.34Å; L13-L16 PolarHBondContact O-N 3.38Å; L13-G17 PolarHBondContact O-N 3.15Å; L13-L184 HydrophobicContact CD2-CD2 3.85Å; L13-I187 HydrophobicContact CD1-CG2 4.32Å; L13-M191 HydrophobicContact CD1-SD 3.73Å
14	S	96	Very high	93.9	Very high	0 Å²	0	40 Å²	40	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-64.5	-39.7	176.7	-69.5	0	0	0	0	112.7	A10 F11 L18	A10-S14 WeakPolarHBondContact O-CB 3.48Å; A10-S14 PolarHBondContact O-N 3Å; A10-S14 PolarHBondContact O-OG 3.22Å; F11-S14 PolarHBondContact O-N 3.33Å; S14-L18 WeakPolarHBondContact O-CB 3.31Å; S14-L18 PolarHBondContact O-N 3.3Å
15	I	96.4	Very high	94.3	Very high	58 Å²	58	38.4 Å²	38.4	30%	0.297	23%	0.229	S	C	.	.	H	α-helix	trans	-63.5	-49.2	174.3	-71.4	164.1	0	0	0	110.9	F11 L12 G17 L18 A19 L94	F11-I15 HydrophobicContact CD1-CD1 3.66Å; F11-I15 HydrophobicContact CD2-CD1 4.23Å; F11-I15 HydrophobicContact CE1-CD1 3.2Å; F11-I15 HydrophobicContact CE1-CG1 4.39Å; F11-I15 HydrophobicContact CE2-CD1 3.82Å; F11-I15 HydrophobicContact CE2-CG1 4.24Å; F11-I15 HydrophobicContact CG-CD1 4.16Å; F11-I15 HydrophobicContact CZ-CD1 3.3Å; F11-I15 HydrophobicContact CZ-CG1 4.17Å; F11-I15 WeakPolarHBondContact O-CG1 3.4Å; F11-I15 PolarHBondContact O-N 3.37Å; L12-I15 PolarHBondContact O-N 2.73Å; I15-G17 VanDerWaalsContact C-N 3.31Å; I15-G17 PolarHBondContact O-N 3.32Å; I15-L18 PolarHBondContact O-N 3.03Å; I15-A19 WeakPolarHBondContact O-CB 3.44Å; I15-A19 PolarHBondContact O-N 3.28Å; I15-L94 HydrophobicContact CB-CD1 4.45Å; I15-L94 HydrophobicContact CG1-CD1 3.62Å; I15-L94 HydrophobicContact CG1-CG 4.41Å
16	L	97.3	Very high	94.5	Very high	111 Å²	111	36.6 Å²	36.6	58%	0.581	23%	0.228	S	C	*	.	H	α-helix	trans	-62.7	-41.3	-179.9	-71.2	173.6	0	0	0	111.3	L12 L13 A19 G20	L12-L16 WeakPolarHBondContact O-CB 3.45Å; L12-L16 VanDerWaalsContact O-CG 3.32Å; L12-L16 WeakPolarHBondContact O-CG 3.45Å; L12-L16 PolarHBondContact O-N 3.3Å; L13-L16 PolarHBondContact O-N 3.38Å; L16-A19 PolarHBondContact O-N 3.45Å; L16-G20 PolarHBondContact O-N 2.96Å
17	G	97	Very high	94.6	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-60.7	-49	173.9	0	0	0	0	0	112.1	L13 I15 A19 G20 C21 A181 T185	L13-G17 PolarHBondContact O-N 3.15Å; I15-G17 VanDerWaalsContact C-N 3.31Å; I15-G17 PolarHBondContact O-N 3.32Å; G17-A19 PolarHBondContact O-N 3.49Å; G17-G20 PolarHBondContact O-N 3.22Å; G17-C21 PolarHBondContact O-N 3.35Å; G17-C21 PolarHBondContact O-SG 3.25Å; G17-C21 VanDerWaalsContact O-SG 3.36Å; G17-A181 WeakPolarHBondContact CA-O 3.48Å; G17-A181 WeakPolarHBondContact O-CB 3.27Å; G17-T185 VanDerWaalsContact CA-OG1 3.24Å; G17-T185 WeakPolarHBondContact CA-OG1 3.37Å
18	L	96.9	Very high	94.5	Very high	12 Å²	12	39.4 Å²	39.4	6%	0.063	24%	0.24	C	C	.	.	H	α-helix	trans	-62.4	-44.2	177.9	-175.9	64.9	0	0	0	112.1	S14 I15 G20 C21 I22 I87 A91 L94	S14-L18 WeakPolarHBondContact O-CB 3.31Å; S14-L18 PolarHBondContact O-N 3.3Å; I15-L18 PolarHBondContact O-N 3.03Å; L18-G20 VanDerWaalsContact C-N 3.3Å; L18-G20 PolarHBondContact O-N 3.01Å; L18-C21 WeakPolarHBondContact O-CB 3.35Å; L18-C21 PolarHBondContact O-N 2.92Å; L18-C21 VanDerWaalsContact O-N 3.17Å; L18-I22 HydrophobicContact CG-CD1 4.19Å; L18-I22 WeakPolarHBondContact O-CG1 3.07Å; L18-I22 PolarHBondContact O-N 3.35Å; L18-I87 HydrophobicContact CD1-CG2 4.45Å; L18-A91 HydrophobicContact CD2-CB 4.41Å; L18-L94 HydrophobicContact CD2-CB 4.34Å; L18-L94 HydrophobicContact CD2-CD1 3.79Å
19	A	97.1	Very high	94.4	Very high	52 Å²	52	40.9 Å²	40.9	43%	0.43	24%	0.244	S	C	.	.	H	α-helix	trans	-60.6	-41.7	176.1	0	0	0	0	0	111.4	I15 L16 G17 I22 A23	I15-A19 WeakPolarHBondContact O-CB 3.44Å; I15-A19 PolarHBondContact O-N 3.28Å; L16-A19 PolarHBondContact O-N 3.45Å; G17-A19 PolarHBondContact O-N 3.49Å; A19-I22 PolarHBondContact O-N 3.01Å; A19-A23 WeakPolarHBondContact O-CB 3.46Å; A19-A23 PolarHBondContact O-N 2.85Å
20	G	96.2	Very high	94.2	Very high	14 Å²	14	37.9 Å²	37.9	14%	0.144	23%	0.226	C	C	.	.	H	α-helix	trans	-62.1	-39.7	173.2	0	0	0	0	0	113	L16 G17 L18 A23 A24 A181	L16-G20 PolarHBondContact O-N 2.96Å; G17-G20 PolarHBondContact O-N 3.22Å; L18-G20 VanDerWaalsContact C-N 3.3Å; L18-G20 PolarHBondContact O-N 3.01Å; G20-A23 PolarHBondContact O-N 3.19Å; G20-A24 VanDerWaalsContact O-CB 3.3Å; G20-A24 WeakPolarHBondContact O-CB 3.34Å; G20-A24 PolarHBondContact O-N 3.22Å; G20-A181 VanDerWaalsContact C-CB 3.41Å
21	C	96	Very high	93.7	Very high	3 Å²	3	38 Å²	38	2%	0.02	23%	0.226	C	C	.	.	H	α-helix	trans	-65.5	-41.2	176.3	-72.8	0	0	0	0	111.9	G17 L18 T25 I87	G17-C21 PolarHBondContact O-N 3.35Å; G17-C21 PolarHBondContact O-SG 3.25Å; G17-C21 VanDerWaalsContact O-SG 3.36Å; L18-C21 WeakPolarHBondContact O-CB 3.35Å; L18-C21 PolarHBondContact O-N 2.92Å; L18-C21 VanDerWaalsContact O-N 3.17Å; C21-T25 WeakPolarHBondContact O-CB 3.31Å; C21-T25 PolarHBondContact O-N 3.08Å; C21-T25 PolarHBondContact O-OG1 3.45Å; C21-I87 HydrophobicContact CB-CG1 4.29Å
22	I	96.1	Very high	93.2	Very high	89 Å²	89	38.6 Å²	38.6	46%	0.456	23%	0.232	S	C	.	.	H	α-helix	trans	-64	-47.1	174.7	-65.9	165.7	0	0	0	109.9	L18 A19 T25 G26 I87	L18-I22 HydrophobicContact CG-CD1 4.19Å; L18-I22 WeakPolarHBondContact O-CG1 3.07Å; L18-I22 PolarHBondContact O-N 3.35Å; A19-I22 PolarHBondContact O-N 3.01Å; I22-T25 PolarHBondContact O-N 3.28Å; I22-G26 PolarHBondContact O-N 3.42Å; I22-I87 HydrophobicContact CD1-CG2 4.31Å; I22-I87 HydrophobicContact CG1-CD1 4.14Å; I22-I87 HydrophobicContact CG1-CG1 4.17Å; I22-I87 HydrophobicContact CG1-CG2 3.82Å
23	A	95.5	Very high	92.1	Very high	51 Å²	51	35.9 Å²	35.9	42%	0.421	22%	0.217	S	C	.	.	H	α-helix	trans	-60	-50.6	177.6	0	0	0	0	0	111.4	A19 G20 T25 G26 M27	A19-A23 WeakPolarHBondContact O-CB 3.46Å; A19-A23 PolarHBondContact O-N 2.85Å; G20-A23 PolarHBondContact O-N 3.19Å; A23-T25 VanDerWaalsContact C-N 3.28Å; A23-T25 PolarHBondContact O-N 3.39Å; A23-G26 CarbonylContact O-C 3.04Å; A23-G26 PolarHBondContact O-N 3.46Å; A23-M27 VanDerWaalsContact O-CG 3.28Å; A23-M27 WeakPolarHBondContact O-CG 3.34Å; A23-M27 PolarHBondContact O-N 3.41Å
24	A	94.3	Very high	90.6	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-56.8	-42	177	0	0	0	0	0	111.6	G20 G26 M27 W30 V177	G20-A24 VanDerWaalsContact O-CB 3.3Å; G20-A24 WeakPolarHBondContact O-CB 3.34Å; G20-A24 PolarHBondContact O-N 3.22Å; A24-G26 VanDerWaalsContact C-N 3.32Å; A24-G26 PolarHBondContact O-N 3.3Å; A24-M27 PolarHBondContact O-N 3.15Å; A24-W30 PolarHBondContact O-NE1 3.15Å; A24-V177 HydrophobicContact CB-CB 4.41Å; A24-V177 HydrophobicContact CB-CG1 4.17Å
25	T	93	Very high	88.8	Confident	10 Å²	10	41.1 Å²	41.1	6%	0.061	25%	0.245	C	C	.	.	H	α-helix	trans	-65.8	-34.4	177.3	-57.4	0	0	0	0	112.5	C21 I22 A23 L49 W50 M83 I87	C21-T25 WeakPolarHBondContact O-CB 3.31Å; C21-T25 PolarHBondContact O-N 3.08Å; C21-T25 PolarHBondContact O-OG1 3.45Å; I22-T25 PolarHBondContact O-N 3.28Å; A23-T25 VanDerWaalsContact C-N 3.28Å; A23-T25 PolarHBondContact O-N 3.39Å; T25-L49 HydrophobicContact CG2-CD2 4.24Å; T25-W50 HydrophobicContact CG2-CZ2 4.11Å; T25-W50 PolarHBondContact O-NE1 3.29Å; T25-M83 HydrophobicContact CG2-CB 4.43Å; T25-M83 VanDerWaalsContact OG1-CE 3.24Å; T25-M83 WeakPolarHBondContact OG1-CE 3.39Å; T25-I87 HydrophobicContact CG2-CD1 4.19Å; T25-I87 WeakPolarHBondContact OG1-CD1 3.47Å
26	G	91	Very high	86.7	Confident	51 Å²	51	48.6 Å²	48.6	53%	0.526	27%	0.271	S	S	.	.	H	α-helix	trans	-83	-16.6	176.7	0	0	0	0	0	114.5	I22 A23 A24	I22-G26 PolarHBondContact O-N 3.42Å; A23-G26 CarbonylContact O-C 3.04Å; A23-G26 PolarHBondContact O-N 3.46Å; A24-G26 VanDerWaalsContact C-N 3.32Å; A24-G26 PolarHBondContact O-N 3.3Å
27	M	90	Very high	84.3	Confident	58 Å²	58	49.8 Å²	49.8	29%	0.286	28%	0.278	S	S	.	.			trans	-69.5	139	178.2	-78.8	175	74.3	0	0	111.2	A23 A24 W30 A173 A174 V177	A23-M27 VanDerWaalsContact O-CG 3.28Å; A23-M27 WeakPolarHBondContact O-CG 3.34Å; A23-M27 PolarHBondContact O-N 3.41Å; A24-M27 PolarHBondContact O-N 3.15Å; M27-W30 PolarHBondContact O-NE1 2.92Å; M27-A173 HydrophobicContact CE-CB 4.15Å; M27-A174 HydrophobicContact CB-CB 3.71Å; M27-A174 HydrophobicContact CE-CB 4Å; M27-A174 HydrophobicContact SD-CB 4.06Å; M27-V177 HydrophobicContact SD-CB 4.48Å; M27-V177 HydrophobicContact SD-CG2 4.25Å
28	D	88.5	Confident	82.1	Confident	37 Å²	37	52.8 Å²	52.8	20%	0.198	29%	0.294	C	S	.	.	S	Bend	trans	-90	-2.9	178.8	-60.6	-39.2	0	0	0	112.9	Y46 E47 G48 R51	D28-Y46 HydrophobicContact CB-CD2 4.27Å; D28-Y46 HydrophobicContact CB-CE2 3.98Å; D28-Y46 WeakPolarHBondContact O-CD2 3.39Å; D28-E47 CarbonylContact O-C 3.29Å; D28-E47 VanDerWaalsContact O-O 3.09Å; D28-G48 VanDerWaalsContact C-CA 3.46Å; D28-G48 WeakPolarHBondContact O-CA 3.49Å; D28-G48 PolarHBondContact O-N 3.12Å; D28-R51 HydrophobicContact CB-CG 4.28Å; D28-R51 VanDerWaalsContact CG-CD 3.43Å; D28-R51 VanDerWaalsContact CG-CG 3.49Å; D28-R51 VanDerWaalsContact OD1-CD 3.25Å; D28-R51 WeakPolarHBondContact OD1-CD 3.21Å; D28-R51 WeakPolarHBondContact OD1-CG 3.33Å; D28-R51 IonicContact OD1-NE 3.22Å; D28-R51 PolarHBondContact OD1-NE 3.46Å; D28-R51 VanDerWaalsContact OD2-CD 3.29Å; D28-R51 WeakPolarHBondContact OD2-CD 3.32Å; D28-R51 IonicContact OD2-NE 3.47Å; D28-R51 PolarHBondContact OD2-NE 3.31Å
29	M	87.1	Confident	80	Confident	86 Å²	86	58.1 Å²	58.1	42%	0.424	33%	0.33	S	S	.	.			trans	-104.4	64	-176	-67.5	170.6	179.3	0	0	111.7	Y46 G172 A173 A174	M29-Y46 HydrophobicContact CE-CE2 4.35Å; M29-Y46 HydrophobicContact CG-CD2 3.79Å; M29-Y46 HydrophobicContact CG-CE2 4.26Å; M29-Y46 HydrophobicContact CG-CG 4.21Å; M29-G172 CarbonylContact O-C 3.51Å; M29-G172 VanDerWaalsContact O-C 3.29Å; M29-G172 VanDerWaalsContact O-CA 3.29Å; M29-G172 WeakPolarHBondContact O-CA 3.25Å; M29-A173 PolarHBondContact O-N 2.96Å; M29-A174 WeakPolarHBondContact O-CB 3.3Å; M29-A174 PolarHBondContact O-N 3.11Å
30	W	89.1	Confident	77.8	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	35%	0.345	C	S	.	.	S	Bend	trans	-86.4	-35.3	174.3	-80.8	62.2	0	0	0	112.1	A24 M27 E47 L49 V79 M83 V136 F139 G172 A174 L175	A24-W30 PolarHBondContact O-NE1 3.15Å; M27-W30 PolarHBondContact O-NE1 2.92Å; W30-E47 WeakPolarHBondContact CA-O 3.37Å; W30-E47 WeakPolarHBondContact CB-O 3.3Å; W30-E47 PolarHBondContact N-O 2.67Å; W30-L49 HydrophobicContact CD2-CB 4.37Å; W30-L49 HydrophobicContact CH2-CD2 4.45Å; W30-L49 HydrophobicContact CZ2-CD2 4.18Å; W30-V79 HydrophobicContact CH2-CG1 4.37Å; W30-V79 HydrophobicContact CZ3-CG1 3.99Å; W30-M83 HydrophobicContact CH2-CE 4.09Å; W30-M83 HydrophobicContact CH2-CG 4.08Å; W30-M83 HydrophobicContact CH2-SD 4.1Å; W30-M83 HydrophobicContact CZ2-CE 4.25Å; W30-V136 HydrophobicContact CH2-CG2 4.02Å; W30-V136 HydrophobicContact CZ3-CG2 4.35Å; W30-F139 HydrophobicContact CB-CE1 3.72Å; W30-F139 HydrophobicContact CB-CZ 3.77Å; W30-F139 HydrophobicContact CE3-CB 4.16Å; W30-F139 AromaticContact CE3-CD1 3.74Å; W30-F139 HydrophobicContact CE3-CD1 3.74Å; W30-F139 AromaticContact CE3-CD2 3.97Å; W30-F139 HydrophobicContact CE3-CD2 3.97Å; W30-F139 HydrophobicContact CE3-CE1 4.04Å; W30-F139 HydrophobicContact CE3-CE2 4.28Å; W30-F139 AromaticContact CE3-CG 3.68Å; W30-F139 HydrophobicContact CE3-CG 3.68Å; W30-F139 HydrophobicContact CE3-CZ 4.31Å; W30-F139 HydrophobicContact CZ3-CB 4.04Å; W30-F139 HydrophobicContact CZ3-CD1 4.46Å; W30-F139 HydrophobicContact CZ3-CD2 4.43Å; W30-F139 HydrophobicContact CZ3-CG 4.07Å; W30-G172 WeakPolarHBondContact O-CA 3.41Å; W30-G172 PolarHBondContact O-N 2.88Å; W30-A174 VanDerWaalsContact CD1-CB 3.46Å; W30-A174 HydrophobicContact CD2-CB 4.4Å; W30-A174 HydrophobicContact CG-CB 3.97Å; W30-L175 HydrophobicContact CD2-CD2 4.24Å; W30-L175 HydrophobicContact CE3-CD2 3.46Å; W30-L175 VanDerWaalsContact CE3-CD2 3.46Å; W30-L175 HydrophobicContact CE3-CG 4.49Å; W30-L175 HydrophobicContact CZ3-CD2 3.74Å; W30-L175 WeakPolarHBondContact O-CD1 2.89Å
31	S	84.3	Confident	75.6	Confident	2 Å²	2	64.9 Å²	64.9	1%	0.014	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	145.5	172.4	-172.5	0	0	0	0	110.7	Y46 E47 Y169 T170	S31-Y46 CarbonylContact O-C 3.54Å; S31-Y46 VanDerWaalsContact O-CA 3.28Å; S31-Y46 WeakPolarHBondContact O-CA 3.47Å; S31-E47 PolarHBondContact N-O 3.23Å; S31-E47 PolarHBondContact O-N 3Å; S31-Y169 WeakPolarHBondContact OG-CB 3.5Å; S31-Y169 WeakPolarHBondContact OG-CD1 3.29Å; S31-T170 WeakPolarHBondContact CA-O 3.49Å; S31-T170 PolarHBondContact OG-O 3.48Å
32	T	82.7	Confident	73.6	Confident	42 Å²	42	67.6 Å²	67.6	26%	0.258	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	140.8	-179.3	44.8	0	0	0	0	110.4	Y169 T170	T32-Y169 CarbonylContact O-C 3.28Å; T32-Y169 VanDerWaalsContact O-C 3.28Å; T32-Y169 VanDerWaalsContact O-CA 3.3Å; T32-Y169 WeakPolarHBondContact O-CA 3.47Å; T32-T170 PolarHBondContact N-O 3.4Å; T32-T170 PolarHBondContact O-N 3.18Å; T32-T170 PolarHBondContact O-OG1 2.95Å; T32-T170 VanDerWaalsContact O-OG1 3.07Å; T32-T170 PolarHBondContact OG1-OG1 2.77Å
33	Q	73.1	Confident	71.9	Confident	38 Å²	38	65.3 Å²	65.3	18%	0.178	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	130.3	178	-171.4	-176.7	-4.6	0	0	111.9	Q45 T167 R168 Y169	Q33-Q45 HydrophobicContact CB-CB 4.23Å; Q33-Q45 PolarHBondContact N-O 2.9Å; Q33-T167 VanDerWaalsContact NE2-CB 3.28Å; Q33-R168 CarbonylContact C-O 3.49Å; Q33-R168 VanDerWaalsContact CA-O 3.31Å; Q33-R168 WeakPolarHBondContact CA-O 3.14Å; Q33-Y169 HydrophobicContact CB-CE1 4.4Å
34	D	65.8	Low	70.8	Confident	76 Å²	76	68.7 Å²	68.7	41%	0.406	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	129.1	171.5	-86.6	-2.5	0	0	0	111.1	Y36 R168 T170	D34-Y36 VanDerWaalsContact C-N 3.33Å; D34-Y36 PolarHBondContact O-N 3.16Å; D34-R168 HydrophobicContact CB-CB 3.83Å; D34-R168 PolarHBondContact N-O 3.31Å; D34-T170 WeakPolarHBondContact OD1-CG2 3.33Å; D34-T170 PolarHBondContact OD1-OG1 3.15Å; D34-T170 VanDerWaalsContact OD1-OG1 3.13Å; D34-T170 WeakPolarHBondContact OD2-CG2 3.27Å
35	L	58	Low	70.1	Confident	73 Å²	73	71.1 Å²	71.1	38%	0.382	39%	0.388	S	S	.	.			trans	-90.2	23.9	-171.1	-114.8	73.7	0	0	0	114.4	D37 F44	L35-D37 VanDerWaalsContact C-N 3.26Å; L35-D37 PolarHBondContact O-N 2.96Å; L35-D37 VanDerWaalsContact O-N 3.11Å; L35-F44 HydrophobicContact CD1-CD1 4.34Å; L35-F44 HydrophobicContact CD2-CD1 4.48Å; L35-F44 HydrophobicContact CD2-CE1 4.09Å; L35-F44 HydrophobicContact CD2-CZ 4.29Å
36	Y	51.9	Low	69.6	Low	215 Å²	215	71.6 Å²	71.6	84%	0.843	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-15.9	-163.8	-161.6	-100.6	0	0	0	115.1	D34	D34-Y36 VanDerWaalsContact C-N 3.33Å; D34-Y36 PolarHBondContact O-N 3.16Å
37	D	47.5	Very low	69.3	Low	136 Å²	136	71.7 Å²	71.7	73%	0.727	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-146.7	28.8	-170.7	-128.5	-6.6	0	0	0	116.2	L35	L35-D37 VanDerWaalsContact C-N 3.26Å; L35-D37 PolarHBondContact O-N 2.96Å; L35-D37 VanDerWaalsContact O-N 3.11Å
38	N	50.1	Low	69.2	Low	64 Å²	64	69 Å²	69	34%	0.342	36%	0.363	S	S	.	.			trans	-137.6	78.8	177.9	-131.5	-9	0	0	0	112.7	V40 V165	N38-V40 PolarHBondContact O-N 2.68Å; N38-V40 VanDerWaalsContact O-N 3.16Å; N38-V165 HydrophobicContact CB-CG1 3.82Å; N38-V165 VanDerWaalsContact CG-CG1 3.47Å; N38-V165 VanDerWaalsContact ND2-CB 3.25Å; N38-V165 WeakPolarHBondContact ND2-CB 3.39Å; N38-V165 WeakPolarHBondContact ND2-CG1 3Å; N38-V165 VanDerWaalsContact ND2-CG2 3.32Å; N38-V165 WeakPolarHBondContact ND2-CG2 2.82Å
39	P	52.9	Low	69.1	Low	124 Å²	124	67.2 Å²	67.2	81%	0.805	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-6.4	-176.3	27.2	-33.8	0	0	0	114.5
40	V	51	Low	69.1	Low	125 Å²	125	67.8 Å²	67.8	76%	0.758	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-16.8	-169	-175	0	0	0	0	113.4	N38	N38-V40 PolarHBondContact O-N 2.68Å; N38-V40 VanDerWaalsContact O-N 3.16Å
41	T	48.9	Very low	69.1	Low	83 Å²	83	73.2 Å²	73.2	51%	0.509	37%	0.371	S	S	.	.			trans	-144.2	105.9	173.2	57.9	0	0	0	0	110.2	V43	T41-V43 PolarHBondContact O-N 2.68Å
42	S	54.1	Low	69.1	Low	60 Å²	60	74.5 Å²	74.5	42%	0.42	38%	0.38	S	S	.	.			trans	-67.9	66.6	172.5	36.6	0	0	0	0	111.4	S57	S42-S57 WeakPolarHBondContact O-CB 3.44Å; S42-S57 PolarHBondContact O-N 3.3Å; S42-S57 WeakPolarHBondContact OG-CB 3.49Å; S42-S57 PolarHBondContact OG-OG 2.85Å
43	V	61.7	Low	69.3	Low	41 Å²	41	72.5 Å²	72.5	25%	0.248	37%	0.368	C	S	.	.			trans	-118.5	116.8	-172.9	177.5	0	0	0	0	108.7	T41 V54 R55	T41-V43 PolarHBondContact O-N 2.68Å; V43-V54 HydrophobicContact CG1-CG1 3.12Å; V43-R55 CarbonylContact C-O 3.55Å; V43-R55 WeakPolarHBondContact CA-O 3.45Å
44	F	72.2	Confident	69.9	Low	122 Å²	122	72.4 Å²	72.4	54%	0.535	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	109.8	178.2	-62	-89.7	0	0	0	109.6	L35 R55	L35-F44 HydrophobicContact CD1-CD1 4.34Å; L35-F44 HydrophobicContact CD2-CD1 4.48Å; L35-F44 HydrophobicContact CD2-CE1 4.09Å; L35-F44 HydrophobicContact CD2-CZ 4.29Å; F44-R55 HydrophobicContact CB-CB 4.26Å; F44-R55 PolarHBondContact N-O 3.07Å; F44-R55 PolarHBondContact O-N 3.48Å
45	Q	78.2	Confident	70.6	Confident	51 Å²	51	74 Å²	74	24%	0.238	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	132.3	174	-172.2	163.4	-72.4	0	0	110.4	Q33 V54 Y169	Q33-Q45 HydrophobicContact CB-CB 4.23Å; Q33-Q45 PolarHBondContact N-O 2.9Å; Q45-V54 HydrophobicContact CG-CG2 4.08Å; Q45-Y169 PolarHBondContact NE2-OH 2.86Å
46	Y	83.9	Confident	71.7	Confident	20 Å²	20	75 Å²	75	8%	0.078	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	139.1	170	56.6	-87.4	0	0	0	110	D28 M29 S31 C53 R55	D28-Y46 HydrophobicContact CB-CD2 4.27Å; D28-Y46 HydrophobicContact CB-CE2 3.98Å; D28-Y46 WeakPolarHBondContact O-CD2 3.39Å; M29-Y46 HydrophobicContact CE-CE2 4.35Å; M29-Y46 HydrophobicContact CG-CD2 3.79Å; M29-Y46 HydrophobicContact CG-CE2 4.26Å; M29-Y46 HydrophobicContact CG-CG 4.21Å; S31-Y46 CarbonylContact O-C 3.54Å; S31-Y46 VanDerWaalsContact O-CA 3.28Å; S31-Y46 WeakPolarHBondContact O-CA 3.47Å; Y46-C53 HydrophobicContact CD1-CB 4.37Å; Y46-C53 HydrophobicContact CD2-CB 3.8Å; Y46-C53 HydrophobicContact CE1-CB 3.85Å; Y46-C53 HydrophobicContact CE2-CB 3.23Å; Y46-C53 HydrophobicContact CG-CB 4.34Å; Y46-C53 PolarHBondContact N-O 2.88Å; Y46-C53 PolarHBondContact O-N 2.9Å; Y46-C53 VanDerWaalsContact O-O 3.06Å; Y46-C53 WeakPolarHBondContact OH-CB 3.16Å; Y46-R55 HydrophobicContact CE1-CG 3.65Å; Y46-R55 PolarHBondContact OH-NE 3.39Å; Y46-R55 PolarHBondContact OH-NH1 3.44Å; Y46-R55 VanDerWaalsContact OH-NH1 3.11Å
47	E	85	Confident	72.7	Confident	52 Å²	52	69 Å²	69	24%	0.243	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	128.9	-177.5	-61.3	-162.3	148.1	0	0	110	D28 W30 S31 Y169	D28-E47 CarbonylContact O-C 3.29Å; D28-E47 VanDerWaalsContact O-O 3.09Å; W30-E47 WeakPolarHBondContact CA-O 3.37Å; W30-E47 WeakPolarHBondContact CB-O 3.3Å; W30-E47 PolarHBondContact N-O 2.67Å; S31-E47 PolarHBondContact N-O 3.23Å; S31-E47 PolarHBondContact O-N 3Å; E47-Y169 HydrophobicContact CG-CE1 4.21Å
48	G	87.6	Confident	74	Confident	1 Å²	1	66 Å²	66	1%	0.01	35%	0.352	C	S	.	.			trans	-101.5	177.6	175.8	0	0	0	0	0	111.1	D28 W50 R51 Y66	D28-G48 VanDerWaalsContact C-CA 3.46Å; D28-G48 WeakPolarHBondContact O-CA 3.49Å; D28-G48 PolarHBondContact O-N 3.12Å; G48-W50 VanDerWaalsContact C-N 3.27Å; G48-W50 PolarHBondContact O-N 3.48Å; G48-R51 WeakPolarHBondContact CA-O 3.37Å; G48-R51 PolarHBondContact N-O 2.98Å; G48-Y66 WeakPolarHBondContact O-CE2 3.33Å
49	L	85.7	Confident	75.2	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	36%	0.364	C	S	.	.	S	Bend	trans	-69.8	-28.8	175.4	-164.5	63	0	0	0	111.7	T25 W30 L76 V79 R80 M83	T25-L49 HydrophobicContact CG2-CD2 4.24Å; W30-L49 HydrophobicContact CD2-CB 4.37Å; W30-L49 HydrophobicContact CH2-CD2 4.45Å; W30-L49 HydrophobicContact CZ2-CD2 4.18Å; L49-L76 HydrophobicContact CD1-CD2 4.32Å; L49-L76 HydrophobicContact CD1-CG 4.3Å; L49-V79 HydrophobicContact CD1-CB 4.38Å; L49-V79 HydrophobicContact CD1-CG1 3.82Å; L49-R80 HydrophobicContact CD1-CG 3.78Å; L49-R80 HydrophobicContact CD2-CG 3.85Å; L49-R80 HydrophobicContact CG-CG 3.56Å; L49-R80 PolarHBondContact O-NE 2.93Å; L49-R80 PolarHBondContact O-NH2 3.42Å; L49-M83 HydrophobicContact CD2-CG 4.35Å
50	W	88.4	Confident	76.5	Confident	99 Å²	99	66.5 Å²	66.5	38%	0.375	36%	0.355	S	S	.	.	S	Bend	trans	-114.6	-23.9	-171.9	-57.3	99.2	0	0	0	115.2	T25 G48 Y66 I84	T25-W50 HydrophobicContact CG2-CZ2 4.11Å; T25-W50 PolarHBondContact O-NE1 3.29Å; G48-W50 VanDerWaalsContact C-N 3.27Å; G48-W50 PolarHBondContact O-N 3.48Å; W50-Y66 VanDerWaalsContact O-CD2 3.31Å; W50-Y66 WeakPolarHBondContact O-CD2 3.39Å; W50-Y66 PolarHBondContact O-N 3.33Å; W50-I84 HydrophobicContact CH2-CD1 3.7Å; W50-I84 HydrophobicContact CH2-CG1 4.36Å; W50-I84 HydrophobicContact CZ2-CD1 4.18Å; W50-I84 HydrophobicContact CZ2-CG1 4.36Å
51	R	87.2	Confident	78	Confident	114 Å²	114	62.1 Å²	62.1	43%	0.43	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	152.9	-177.7	61.8	-179.1	95.7	-157.4	-4.7	110.3	D28 G48 R64 P65 Y66	D28-R51 HydrophobicContact CB-CG 4.28Å; D28-R51 VanDerWaalsContact CG-CD 3.43Å; D28-R51 VanDerWaalsContact CG-CG 3.49Å; D28-R51 VanDerWaalsContact OD1-CD 3.25Å; D28-R51 WeakPolarHBondContact OD1-CD 3.21Å; D28-R51 WeakPolarHBondContact OD1-CG 3.33Å; D28-R51 IonicContact OD1-NE 3.22Å; D28-R51 PolarHBondContact OD1-NE 3.46Å; D28-R51 VanDerWaalsContact OD2-CD 3.29Å; D28-R51 WeakPolarHBondContact OD2-CD 3.32Å; D28-R51 IonicContact OD2-NE 3.47Å; D28-R51 PolarHBondContact OD2-NE 3.31Å; G48-R51 WeakPolarHBondContact CA-O 3.37Å; G48-R51 PolarHBondContact N-O 2.98Å; R51-R64 WeakPolarHBondContact CA-O 3.35Å; R51-R64 WeakPolarHBondContact CB-O 3.45Å; R51-P65 HydrophobicContact CB-CB 4.31Å; R51-Y66 VanDerWaalsContact C-CE2 3.47Å
52	S	86.1	Confident	79.8	Confident	28 Å²	28	62.8 Å²	62.8	20%	0.196	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	145.1	163.9	57	0	0	0	0	109.2	C63 R64	S52-C63 CarbonylContact O-C 3.52Å; S52-C63 WeakPolarHBondContact O-CA 3.34Å; S52-R64 PolarHBondContact N-O 3.05Å; S52-R64 PolarHBondContact O-N 3.42Å; S52-R64 PolarHBondContact OG-O 2.96Å
53	C	86.6	Confident	81.4	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	144.4	179.4	-65.3	0	0	0	0	110.5	Y46 T61 E62 C63	Y46-C53 HydrophobicContact CD1-CB 4.37Å; Y46-C53 HydrophobicContact CD2-CB 3.8Å; Y46-C53 HydrophobicContact CE1-CB 3.85Å; Y46-C53 HydrophobicContact CE2-CB 3.23Å; Y46-C53 HydrophobicContact CG-CB 4.34Å; Y46-C53 PolarHBondContact N-O 2.88Å; Y46-C53 PolarHBondContact O-N 2.9Å; Y46-C53 VanDerWaalsContact O-O 3.06Å; Y46-C53 WeakPolarHBondContact OH-CB 3.16Å; C53-T61 HydrophobicContact CB-CG2 4.45Å; C53-E62 WeakPolarHBondContact CA-O 3.19Å; C53-C63 HydrophobicContact CB-CB 4.15Å; C53-C63 WeakPolarHBondContact CB-SG 3.42Å; C53-C63 WeakPolarHBondContact SG-CB 3.44Å; C53-C63 CovalentContact SG-SG 2.05Å; C53-C63 PolarHBondContact SG-SG 3.44Å
54	V	85.3	Confident	82.6	Confident	37 Å²	37	68.2 Å²	68.2	22%	0.224	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	120.7	-178.7	-178.6	0	0	0	0	108.2	V43 Q45 T61 E62	V43-V54 HydrophobicContact CG1-CG1 3.12Å; Q45-V54 HydrophobicContact CG-CG2 4.08Å; V54-T61 WeakPolarHBondContact O-CA 3.48Å; V54-T61 WeakPolarHBondContact O-CG2 3.31Å; V54-E62 PolarHBondContact N-O 3.35Å; V54-E62 PolarHBondContact O-N 2.81Å; V54-E62 VanDerWaalsContact O-N 3.12Å
55	R	81.4	Confident	83.3	Confident	110 Å²	110	65.1 Å²	65.1	42%	0.415	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	119	172.3	-59.5	-103	157.2	-158.9	150.2	108.3	V43 F44 Y46 T61	V43-R55 CarbonylContact C-O 3.55Å; V43-R55 WeakPolarHBondContact CA-O 3.45Å; F44-R55 HydrophobicContact CB-CB 4.26Å; F44-R55 PolarHBondContact N-O 3.07Å; F44-R55 PolarHBondContact O-N 3.48Å; Y46-R55 HydrophobicContact CE1-CG 3.65Å; Y46-R55 PolarHBondContact OH-NE 3.39Å; Y46-R55 PolarHBondContact OH-NH1 3.44Å; Y46-R55 VanDerWaalsContact OH-NH1 3.11Å; R55-T61 WeakPolarHBondContact CD-OG1 3.42Å; R55-T61 HydrophobicContact CG-CG2 4.01Å; R55-T61 PolarHBondContact NE-OG1 3.39Å; R55-T61 PolarHBondContact NH1-OG1 3.18Å; R55-T61 VanDerWaalsContact NH1-OG1 3.15Å; R55-T61 PolarHBondContact NH2-OG1 2.99Å
56	Q	79.6	Confident	83.5	Confident	93 Å²	93	65.4 Å²	65.4	44%	0.435	33%	0.331	S	S	.	.			trans	-83.6	157.7	172.5	-61.1	179.3	20.3	0	0	109.9	S58 G59 F60	Q56-S58 WeakPolarHBondContact CB-OG 3.27Å; Q56-S58 PolarHBondContact O-N 3.38Å; Q56-G59 PolarHBondContact O-N 2.81Å; Q56-F60 PolarHBondContact N-O 2.99Å
57	S	73.4	Confident	82.6	Confident	88 Å²	88	72.5 Å²	72.5	62%	0.615	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-18	177.6	43.1	0	0	0	0	115	S42 G59	S42-S57 WeakPolarHBondContact O-CB 3.44Å; S42-S57 PolarHBondContact O-N 3.3Å; S42-S57 WeakPolarHBondContact OG-CB 3.49Å; S42-S57 PolarHBondContact OG-OG 2.85Å; S57-G59 PolarHBondContact O-N 3.42Å
58	S	74.8	Confident	81.3	Confident	74 Å²	74	74.5 Å²	74.5	52%	0.517	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-5.4	168.2	53.2	0	0	0	0	113.5	Q56 F60	Q56-S58 WeakPolarHBondContact CB-OG 3.27Å; Q56-S58 PolarHBondContact O-N 3.38Å; S58-F60 VanDerWaalsContact C-N 3.28Å; S58-F60 PolarHBondContact O-N 2.91Å
59	G	74.8	Confident	79.8	Confident	57 Å²	57	79.8 Å²	79.8	59%	0.588	41%	0.405	S	S	*	.	S	Bend	trans	86.2	-8.9	-179	0	0	0	0	0	114.2	Q56 S57	Q56-G59 PolarHBondContact O-N 2.81Å; S57-G59 PolarHBondContact O-N 3.42Å
60	F	79.9	Confident	78.2	Confident	142 Å²	142	87.9 Å²	87.9	62%	0.623	45%	0.447	S	S	*	.			trans	-71	145.9	175.6	-72.2	-74.2	0	0	0	111.9	Q56 S58	Q56-F60 PolarHBondContact N-O 2.99Å; S58-F60 VanDerWaalsContact C-N 3.28Å; S58-F60 PolarHBondContact O-N 2.91Å
61	T	84.2	Confident	76.5	Confident	32 Å²	32	86.4 Å²	86.4	20%	0.196	46%	0.463	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	122.1	178.5	-42.7	0	0	0	0	111.6	C53 V54 R55	C53-T61 HydrophobicContact CB-CG2 4.45Å; V54-T61 WeakPolarHBondContact O-CA 3.48Å; V54-T61 WeakPolarHBondContact O-CG2 3.31Å; R55-T61 WeakPolarHBondContact CD-OG1 3.42Å; R55-T61 HydrophobicContact CG-CG2 4.01Å; R55-T61 PolarHBondContact NE-OG1 3.39Å; R55-T61 PolarHBondContact NH1-OG1 3.18Å; R55-T61 VanDerWaalsContact NH1-OG1 3.15Å; R55-T61 PolarHBondContact NH2-OG1 2.99Å
62	E	86.1	Confident	75.5	Confident	97 Å²	97	82.4 Å²	82.4	45%	0.453	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	120.5	173.6	-60.7	-57.5	131.1	0	0	108.3	C53 V54	C53-E62 WeakPolarHBondContact CA-O 3.19Å; V54-E62 PolarHBondContact N-O 3.35Å; V54-E62 PolarHBondContact O-N 2.81Å; V54-E62 VanDerWaalsContact O-N 3.12Å
63	C	88.5	Confident	75	Confident	46 Å²	46	84 Å²	84	31%	0.311	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	125.5	173	-71.3	0	0	0	0	109.5	S52 C53	S52-C63 CarbonylContact O-C 3.52Å; S52-C63 WeakPolarHBondContact O-CA 3.34Å; C53-C63 HydrophobicContact CB-CB 4.15Å; C53-C63 WeakPolarHBondContact CB-SG 3.42Å; C53-C63 WeakPolarHBondContact SG-CB 3.44Å; C53-C63 CovalentContact SG-SG 2.05Å; C53-C63 PolarHBondContact SG-SG 3.44Å
64	R	86.8	Confident	74.6	Confident	169 Å²	169	87.9 Å²	87.9	64%	0.638	49%	0.492	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.9	118.6	178.9	-65	-66.3	-176.1	172.3	-2.8	109.1	R51 S52	R51-R64 WeakPolarHBondContact CA-O 3.35Å; R51-R64 WeakPolarHBondContact CB-O 3.45Å; S52-R64 PolarHBondContact N-O 3.05Å; S52-R64 PolarHBondContact O-N 3.42Å; S52-R64 PolarHBondContact OG-O 2.96Å
65	P	86.4	Confident	74.3	Confident	58 Å²	58	90.6 Å²	90.6	38%	0.377	50%	0.503	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	152.6	176.5	32.9	-35.1	0	0	0	110.8	R51 F67	R51-P65 HydrophobicContact CB-CB 4.31Å; P65-F67 HydrophobicContact CB-CZ 4.46Å; P65-F67 HydrophobicContact CG-CD1 4.35Å; P65-F67 HydrophobicContact CG-CD2 4.16Å; P65-F67 HydrophobicContact CG-CE1 3.67Å; P65-F67 HydrophobicContact CG-CE2 3.46Å; P65-F67 VanDerWaalsContact CG-CE2 3.46Å; P65-F67 HydrophobicContact CG-CZ 3.2Å; P65-F67 WeakPolarHBondContact O-CD2 3.33Å; P65-F67 PolarHBondContact O-N 2.87Å
66	Y	81.5	Confident	74.4	Confident	56 Å²	56	85.8 Å²	85.8	22%	0.22	49%	0.486	C	S	.	.			trans	-79.6	99.7	177.8	-61.2	-69.8	0	0	0	110	G48 W50 R51 L72 R80	G48-Y66 WeakPolarHBondContact O-CE2 3.33Å; W50-Y66 VanDerWaalsContact O-CD2 3.31Å; W50-Y66 WeakPolarHBondContact O-CD2 3.39Å; W50-Y66 PolarHBondContact O-N 3.33Å; R51-Y66 VanDerWaalsContact C-CE2 3.47Å; Y66-L72 HydrophobicContact CD1-CD1 3.73Å; Y66-L72 HydrophobicContact CE1-CD1 4.13Å; Y66-L72 HydrophobicContact CG-CD1 4Å; Y66-L72 HydrophobicContact CG-CD2 4.41Å; Y66-R80 VanDerWaalsContact CD2-NH2 3.29Å
67	F	65.6	Low	74.9	Confident	170 Å²	170	85.8 Å²	85.8	75%	0.746	49%	0.485	S	S	*	.			trans	-83.4	-22.6	-174.1	-66.3	-75.9	0	0	0	115.1	P65	P65-F67 HydrophobicContact CB-CZ 4.46Å; P65-F67 HydrophobicContact CG-CD1 4.35Å; P65-F67 HydrophobicContact CG-CD2 4.16Å; P65-F67 HydrophobicContact CG-CE1 3.67Å; P65-F67 HydrophobicContact CG-CE2 3.46Å; P65-F67 VanDerWaalsContact CG-CE2 3.46Å; P65-F67 HydrophobicContact CG-CZ 3.2Å; P65-F67 WeakPolarHBondContact O-CD2 3.33Å; P65-F67 PolarHBondContact O-N 2.87Å
68	T	57.9	Low	75.6	Confident	93 Å²	93	83.9 Å²	83.9	57%	0.571	48%	0.475	S	S	*	.			trans	-112.5	116.5	-169.9	-48.5	0	0	0	0	111.6	L70	T68-L70 VanDerWaalsContact C-N 3.34Å; T68-L70 HydrophobicContact CG2-CB 4.19Å
69	I	56.3	Low	76.4	Confident	112 Å²	112	80.4 Å²	80.4	57%	0.574	45%	0.451	S	S	*	.	G	3₁₀ helix	trans	-68.7	-32.6	175	-60.4	-169.6	0	0	0	111.4	G71	I69-G71 VanDerWaalsContact C-N 3.33Å; I69-G71 PolarHBondContact O-N 3Å
70	L	51.5	Low	77.2	Confident	170 Å²	170	79.2 Å²	79.2	89%	0.89	43%	0.428	S	S	*	.	G	3₁₀ helix	trans	-74.7	-15.8	179.9	-92.6	73.8	0	0	0	114.8	T68	T68-L70 VanDerWaalsContact C-N 3.34Å; T68-L70 HydrophobicContact CG2-CB 4.19Å
71	G	53.1	Low	77.8	Confident	68 Å²	68	74.8 Å²	74.8	70%	0.701	42%	0.418	S	S	*	.	G	3₁₀ helix	trans	-105.5	-1	-176.5	0	0	0	0	0	114.5	I69	I69-G71 VanDerWaalsContact C-N 3.33Å; I69-G71 PolarHBondContact O-N 3Å
72	L	66.4	Low	78.3	Confident	30 Å²	30	76 Å²	76	16%	0.157	42%	0.423	C	S	.	.	S	Bend	trans	-103.8	143.3	-171.9	-159.3	63.1	0	0	0	110.3	Y66 A74 L76	Y66-L72 HydrophobicContact CD1-CD1 3.73Å; Y66-L72 HydrophobicContact CE1-CD1 4.13Å; Y66-L72 HydrophobicContact CG-CD1 4Å; Y66-L72 HydrophobicContact CG-CD2 4.41Å; L72-A74 PolarHBondContact O-N 3.33Å; L72-L76 HydrophobicContact CD1-CD2 4.46Å; L72-L76 HydrophobicContact CD2-CD2 3.55Å; L72-L76 HydrophobicContact CG-CD2 4Å
73	P	74.5	Confident	78.7	Confident	62 Å²	62	71.5 Å²	71.5	40%	0.403	40%	0.402	S	S	.	.			trans	-55.1	128.6	179.8	-25.3	33.5	0	0	0	111.4	M75 L76 Q77 M142	P73-M75 PolarHBondContact O-N 3.18Å; P73-M75 VanDerWaalsContact O-N 3.08Å; P73-L76 HydrophobicContact CB-CB 4.46Å; P73-L76 WeakPolarHBondContact O-CB 3.47Å; P73-L76 PolarHBondContact O-N 3.39Å; P73-Q77 PolarHBondContact O-N 3.08Å; P73-M142 HydrophobicContact CB-CE 3.98Å; P73-M142 HydrophobicContact CG-CE 4.05Å
74	A	78.5	Confident	79	Confident	81 Å²	81	72.9 Å²	72.9	67%	0.669	41%	0.406	S	S	*	.	H	α-helix	trans	-54.3	-33.6	-178.3	0	0	0	0	0	112.8	L72 L76 Q77 A78	L72-A74 PolarHBondContact O-N 3.33Å; A74-L76 VanDerWaalsContact C-N 3.33Å; A74-L76 PolarHBondContact O-N 3.29Å; A74-Q77 PolarHBondContact O-N 2.96Å; A74-A78 PolarHBondContact O-N 3.14Å
75	M	79.8	Confident	79.5	Confident	95 Å²	95	68.4 Å²	68.4	47%	0.468	40%	0.397	S	S	.	.	H	α-helix	trans	-62.5	-36.8	174.8	-72	-153.8	-77	0	0	112.9	P73 Q77 A78 V79 M142	P73-M75 PolarHBondContact O-N 3.18Å; P73-M75 VanDerWaalsContact O-N 3.08Å; M75-Q77 VanDerWaalsContact C-N 3.34Å; M75-Q77 PolarHBondContact O-N 3.5Å; M75-A78 WeakPolarHBondContact O-CB 3.48Å; M75-A78 PolarHBondContact O-N 2.94Å; M75-V79 VanDerWaalsContact O-CG2 3.24Å; M75-V79 WeakPolarHBondContact O-CG2 3.48Å; M75-V79 PolarHBondContact O-N 3.26Å; M75-M142 HydrophobicContact CB-SD 4.12Å; M75-M142 HydrophobicContact CE-CB 4.04Å; M75-M142 HydrophobicContact CE-CG 3.89Å; M75-M142 HydrophobicContact CE-SD 4.19Å
76	L	84.1	Confident	79.9	Confident	9 Å²	9	65.7 Å²	65.7	5%	0.047	38%	0.38	C	S	.	.	H	α-helix	trans	-69.5	-35.6	179.3	-165.6	145.6	0	0	0	111.2	L49 L72 P73 A74 V79 R80 F139	L49-L76 HydrophobicContact CD1-CD2 4.32Å; L49-L76 HydrophobicContact CD1-CG 4.3Å; L72-L76 HydrophobicContact CD1-CD2 4.46Å; L72-L76 HydrophobicContact CD2-CD2 3.55Å; L72-L76 HydrophobicContact CG-CD2 4Å; P73-L76 HydrophobicContact CB-CB 4.46Å; P73-L76 WeakPolarHBondContact O-CB 3.47Å; P73-L76 PolarHBondContact O-N 3.39Å; A74-L76 VanDerWaalsContact C-N 3.33Å; A74-L76 PolarHBondContact O-N 3.29Å; L76-V79 PolarHBondContact O-N 3.44Å; L76-R80 HydrophobicContact CD2-CG 4.48Å; L76-R80 WeakPolarHBondContact O-CG 3.36Å; L76-R80 PolarHBondContact O-N 3.44Å; L76-F139 HydrophobicContact CD1-CE2 4.02Å; L76-F139 HydrophobicContact CG-CE2 4.48Å
77	Q	88.1	Confident	80.6	Confident	92 Å²	92	64.6 Å²	64.6	43%	0.43	38%	0.378	S	S	.	.	H	α-helix	trans	-66.1	-39.6	171.5	-173.6	174.8	-18.4	0	0	112	P73 A74 M75 R80 A81	P73-Q77 PolarHBondContact O-N 3.08Å; A74-Q77 PolarHBondContact O-N 2.96Å; M75-Q77 VanDerWaalsContact C-N 3.34Å; M75-Q77 PolarHBondContact O-N 3.5Å; Q77-R80 WeakPolarHBondContact O-CB 3.36Å; Q77-R80 PolarHBondContact O-N 3.26Å; Q77-A81 PolarHBondContact O-N 3.35Å
78	A	88.4	Confident	82.2	Confident	48 Å²	48	60.2 Å²	60.2	40%	0.397	36%	0.364	S	S	.	.	H	α-helix	trans	-62.7	-42.2	174.2	0	0	0	0	0	112	A74 M75 A81 L82	A74-A78 PolarHBondContact O-N 3.14Å; M75-A78 WeakPolarHBondContact O-CB 3.48Å; M75-A78 PolarHBondContact O-N 2.94Å; A78-A81 PolarHBondContact O-N 2.98Å; A78-L82 WeakPolarHBondContact O-CG 3.35Å; A78-L82 PolarHBondContact O-N 3.49Å
79	V	91.3	Very high	84	Confident	1 Å²	1	57.8 Å²	57.8	1%	0.006	35%	0.348	C	S	.	.	H	α-helix	trans	-60.5	-46.4	174.9	173.5	0	0	0	0	110.8	W30 L49 M75 L76 A81 L82 M83 V138 F139	W30-V79 HydrophobicContact CH2-CG1 4.37Å; W30-V79 HydrophobicContact CZ3-CG1 3.99Å; L49-V79 HydrophobicContact CD1-CB 4.38Å; L49-V79 HydrophobicContact CD1-CG1 3.82Å; M75-V79 VanDerWaalsContact O-CG2 3.24Å; M75-V79 WeakPolarHBondContact O-CG2 3.48Å; M75-V79 PolarHBondContact O-N 3.26Å; L76-V79 PolarHBondContact O-N 3.44Å; V79-A81 VanDerWaalsContact C-N 3.34Å; V79-A81 PolarHBondContact O-N 3.48Å; V79-L82 PolarHBondContact O-N 3.3Å; V79-M83 HydrophobicContact CG1-CG 4.38Å; V79-M83 WeakPolarHBondContact O-CG 3.24Å; V79-M83 PolarHBondContact O-N 3.43Å; V79-V138 HydrophobicContact CG2-CB 4.2Å; V79-V138 HydrophobicContact CG2-CG1 3.87Å; V79-F139 HydrophobicContact CG1-CB 4.2Å; V79-F139 HydrophobicContact CG1-CD2 4.31Å; V79-F139 HydrophobicContact CG2-CB 4.08Å; V79-F139 HydrophobicContact CG2-CD2 4.44Å
80	R	92.4	Very high	85.9	Confident	32 Å²	32	52.5 Å²	52.5	12%	0.121	32%	0.321	C	S	.	.	H	α-helix	trans	-55.1	-49.4	173.9	-77	176.8	-177.5	178.3	5.1	111.7	L49 Y66 L76 Q77 L82 M83 I84	L49-R80 HydrophobicContact CD1-CG 3.78Å; L49-R80 HydrophobicContact CD2-CG 3.85Å; L49-R80 HydrophobicContact CG-CG 3.56Å; L49-R80 PolarHBondContact O-NE 2.93Å; L49-R80 PolarHBondContact O-NH2 3.42Å; Y66-R80 VanDerWaalsContact CD2-NH2 3.29Å; L76-R80 HydrophobicContact CD2-CG 4.48Å; L76-R80 WeakPolarHBondContact O-CG 3.36Å; L76-R80 PolarHBondContact O-N 3.44Å; Q77-R80 WeakPolarHBondContact O-CB 3.36Å; Q77-R80 PolarHBondContact O-N 3.26Å; R80-L82 PolarHBondContact O-N 3.31Å; R80-M83 PolarHBondContact O-N 2.96Å; R80-I84 WeakPolarHBondContact O-CB 3.43Å; R80-I84 WeakPolarHBondContact O-CD1 3.35Å; R80-I84 WeakPolarHBondContact O-CG1 3.47Å; R80-I84 PolarHBondContact O-N 3.39Å
81	A	92.6	Very high	88.1	Confident	50 Å²	50	46.2 Å²	46.2	41%	0.413	29%	0.293	S	S	.	.	H	α-helix	trans	-60.2	-46.1	179.6	0	0	0	0	0	111.5	Q77 A78 V79 M83 I84 V85	Q77-A81 PolarHBondContact O-N 3.35Å; A78-A81 PolarHBondContact O-N 2.98Å; V79-A81 VanDerWaalsContact C-N 3.34Å; V79-A81 PolarHBondContact O-N 3.48Å; A81-M83 PolarHBondContact O-N 3.42Å; A81-I84 PolarHBondContact O-N 2.95Å; A81-V85 WeakPolarHBondContact O-CB 3.35Å; A81-V85 WeakPolarHBondContact O-CG2 3.33Å; A81-V85 PolarHBondContact O-N 3Å
82	L	93.8	Very high	90.2	Very high	56 Å²	56	47 Å²	47	29%	0.293	28%	0.281	S	S	.	.	H	α-helix	trans	-60.1	-44.7	177.7	-75.8	169.3	0	0	0	112.5	A78 V79 R80 G86	A78-L82 WeakPolarHBondContact O-CG 3.35Å; A78-L82 PolarHBondContact O-N 3.49Å; V79-L82 PolarHBondContact O-N 3.3Å; R80-L82 PolarHBondContact O-N 3.31Å; L82-G86 PolarHBondContact O-N 3.28Å
83	M	94.9	Very high	91.5	Very high	3 Å²	3	45.6 Å²	45.6	2%	0.015	27%	0.273	C	S	.	.	H	α-helix	trans	-65	-45.9	178.2	-66.7	-59.8	-67.8	0	0	111.7	T25 W30 L49 V79 R80 A81 G86 I87 A132 V136	T25-M83 HydrophobicContact CG2-CB 4.43Å; T25-M83 VanDerWaalsContact OG1-CE 3.24Å; T25-M83 WeakPolarHBondContact OG1-CE 3.39Å; W30-M83 HydrophobicContact CH2-CE 4.09Å; W30-M83 HydrophobicContact CH2-CG 4.08Å; W30-M83 HydrophobicContact CH2-SD 4.1Å; W30-M83 HydrophobicContact CZ2-CE 4.25Å; L49-M83 HydrophobicContact CD2-CG 4.35Å; V79-M83 HydrophobicContact CG1-CG 4.38Å; V79-M83 WeakPolarHBondContact O-CG 3.24Å; V79-M83 PolarHBondContact O-N 3.43Å; R80-M83 PolarHBondContact O-N 2.96Å; A81-M83 PolarHBondContact O-N 3.42Å; M83-G86 PolarHBondContact O-N 3.5Å; M83-I87 VanDerWaalsContact O-CG1 3.27Å; M83-I87 WeakPolarHBondContact O-CG1 3.47Å; M83-I87 PolarHBondContact O-N 3.34Å; M83-A132 HydrophobicContact SD-CB 4.41Å; M83-V136 HydrophobicContact CE-CG2 4.39Å; M83-V136 HydrophobicContact SD-CG2 4.08Å
84	I	95.7	Very high	92.5	Very high	75 Å²	75	44.1 Å²	44.1	39%	0.385	26%	0.262	S	S	.	.	H	α-helix	trans	-64.6	-47.6	179.7	-64.1	161.6	0	0	0	110.8	W50 R80 A81 G86 I87 V88	W50-I84 HydrophobicContact CH2-CD1 3.7Å; W50-I84 HydrophobicContact CH2-CG1 4.36Å; W50-I84 HydrophobicContact CZ2-CD1 4.18Å; W50-I84 HydrophobicContact CZ2-CG1 4.36Å; R80-I84 WeakPolarHBondContact O-CB 3.43Å; R80-I84 WeakPolarHBondContact O-CD1 3.35Å; R80-I84 WeakPolarHBondContact O-CG1 3.47Å; R80-I84 PolarHBondContact O-N 3.39Å; A81-I84 PolarHBondContact O-N 2.95Å; I84-G86 VanDerWaalsContact C-N 3.31Å; I84-G86 PolarHBondContact O-N 3.27Å; I84-I87 PolarHBondContact O-N 3.3Å; I84-V88 HydrophobicContact CG2-CG2 4.39Å; I84-V88 WeakPolarHBondContact O-CG2 3.48Å; I84-V88 PolarHBondContact O-N 3.37Å
85	V	95.8	Very high	93.3	Very high	75 Å²	75	45.1 Å²	45.1	46%	0.455	26%	0.255	S	S	.	.	H	α-helix	trans	-60.7	-43.9	177.6	170.8	0	0	0	0	110.2	A81 I87 V88 L89	A81-V85 WeakPolarHBondContact O-CB 3.35Å; A81-V85 WeakPolarHBondContact O-CG2 3.33Å; A81-V85 PolarHBondContact O-N 3Å; V85-I87 PolarHBondContact O-N 3.04Å; V85-V88 PolarHBondContact O-N 2.9Å; V85-L89 HydrophobicContact CG1-CD1 3.9Å; V85-L89 HydrophobicContact CG1-CG 4.3Å; V85-L89 WeakPolarHBondContact O-CB 3.32Å; V85-L89 VanDerWaalsContact O-CG 3.31Å; V85-L89 WeakPolarHBondContact O-CG 3.48Å; V85-L89 PolarHBondContact O-N 3.48Å
86	G	96	Very high	93.9	Very high	2 Å²	2	42.5 Å²	42.5	2%	0.021	25%	0.245	C	C	.	.	H	α-helix	trans	-56.5	-47.2	174.1	0	0	0	0	0	112.3	L82 M83 I84 L89 G90 S128	L82-G86 PolarHBondContact O-N 3.28Å; M83-G86 PolarHBondContact O-N 3.5Å; I84-G86 VanDerWaalsContact C-N 3.31Å; I84-G86 PolarHBondContact O-N 3.27Å; G86-L89 PolarHBondContact O-N 3.44Å; G86-G90 PolarHBondContact O-N 3.48Å; G86-S128 WeakPolarHBondContact O-CB 3.25Å; G86-S128 PolarHBondContact O-OG 2.96Å
87	I	96.9	Very high	94.3	Very high	33 Å²	33	42.1 Å²	42.1	17%	0.169	24%	0.243	C	C	.	.	H	α-helix	trans	-63.1	-44.8	178.2	-70.1	164.6	0	0	0	111.4	L18 C21 I22 T25 M83 I84 V85 G90 A91	L18-I87 HydrophobicContact CD1-CG2 4.45Å; C21-I87 HydrophobicContact CB-CG1 4.29Å; I22-I87 HydrophobicContact CD1-CG2 4.31Å; I22-I87 HydrophobicContact CG1-CD1 4.14Å; I22-I87 HydrophobicContact CG1-CG1 4.17Å; I22-I87 HydrophobicContact CG1-CG2 3.82Å; T25-I87 HydrophobicContact CG2-CD1 4.19Å; T25-I87 WeakPolarHBondContact OG1-CD1 3.47Å; M83-I87 VanDerWaalsContact O-CG1 3.27Å; M83-I87 WeakPolarHBondContact O-CG1 3.47Å; M83-I87 PolarHBondContact O-N 3.34Å; I84-I87 PolarHBondContact O-N 3.3Å; V85-I87 PolarHBondContact O-N 3.04Å; I87-G90 PolarHBondContact O-N 3.45Å; I87-A91 WeakPolarHBondContact O-CB 3.32Å; I87-A91 PolarHBondContact O-N 3.33Å
88	V	97.6	Very high	94.4	Very high	77 Å²	77	40.2 Å²	40.2	47%	0.467	24%	0.235	S	C	.	.	H	α-helix	trans	-63.2	-46.3	179.8	171.8	0	0	0	0	110.9	I84 V85 G90 A91 I92	I84-V88 HydrophobicContact CG2-CG2 4.39Å; I84-V88 WeakPolarHBondContact O-CG2 3.48Å; I84-V88 PolarHBondContact O-N 3.37Å; V85-V88 PolarHBondContact O-N 2.9Å; V88-G90 VanDerWaalsContact C-N 3.33Å; V88-G90 PolarHBondContact O-N 3.44Å; V88-A91 PolarHBondContact O-N 3.2Å; V88-I92 HydrophobicContact CG1-CD1 3.94Å; V88-I92 WeakPolarHBondContact O-CG1 3.29Å; V88-I92 PolarHBondContact O-N 2.91Å
89	L	96.2	Very high	94.3	Very high	43 Å²	43	43 Å²	43	23%	0.225	24%	0.238	C	C	.	.	H	α-helix	trans	-61.8	-41.8	175.9	-69.9	175.7	0	0	0	111.7	V85 G86 I92 G93 M124 V127	V85-L89 HydrophobicContact CG1-CD1 3.9Å; V85-L89 HydrophobicContact CG1-CG 4.3Å; V85-L89 WeakPolarHBondContact O-CB 3.32Å; V85-L89 VanDerWaalsContact O-CG 3.31Å; V85-L89 WeakPolarHBondContact O-CG 3.48Å; V85-L89 PolarHBondContact O-N 3.48Å; G86-L89 PolarHBondContact O-N 3.44Å; L89-I92 PolarHBondContact O-N 2.88Å; L89-G93 PolarHBondContact O-N 3.48Å; L89-M124 HydrophobicContact CD2-SD 4.06Å; L89-V127 HydrophobicContact CD1-CG1 3.8Å
90	G	96.7	Very high	94	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-65.8	-38.3	176.6	0	0	0	0	0	112.7	G86 I87 V88 G93 L94 F125 S128	G86-G90 PolarHBondContact O-N 3.48Å; I87-G90 PolarHBondContact O-N 3.45Å; V88-G90 VanDerWaalsContact C-N 3.33Å; V88-G90 PolarHBondContact O-N 3.44Å; G90-G93 PolarHBondContact O-N 2.62Å; G90-L94 VanDerWaalsContact O-CB 3.3Å; G90-L94 WeakPolarHBondContact O-CB 3.31Å; G90-L94 PolarHBondContact O-N 2.86Å; G90-F125 VanDerWaalsContact O-CE1 3.25Å; G90-F125 WeakPolarHBondContact O-CE1 3.24Å; G90-S128 WeakPolarHBondContact CA-OG 3.15Å
91	A	97	Very high	93.6	Very high	39 Å²	39	42.2 Å²	42.2	32%	0.322	24%	0.236	S	C	.	.	H	α-helix	trans	-66.7	-43.9	176.2	0	0	0	0	0	111.9	L18 I87 V88 L94 L95	L18-A91 HydrophobicContact CD2-CB 4.41Å; I87-A91 WeakPolarHBondContact O-CB 3.32Å; I87-A91 PolarHBondContact O-N 3.33Å; V88-A91 PolarHBondContact O-N 3.2Å; A91-L94 WeakPolarHBondContact O-CB 3.5Å; A91-L94 PolarHBondContact O-N 2.98Å; A91-L95 WeakPolarHBondContact O-CG 3.05Å; A91-L95 PolarHBondContact O-N 3.01Å
92	I	96.4	Very high	92.6	Very high	85 Å²	85	43.8 Å²	43.8	44%	0.436	23%	0.234	S	C	.	.	H	α-helix	trans	-62.9	-45.7	174.3	-65	166.7	0	0	0	110	V88 L89 L94 L95 V96	V88-I92 HydrophobicContact CG1-CD1 3.94Å; V88-I92 WeakPolarHBondContact O-CG1 3.29Å; V88-I92 PolarHBondContact O-N 2.91Å; L89-I92 PolarHBondContact O-N 2.88Å; I92-L94 VanDerWaalsContact C-N 3.27Å; I92-L94 PolarHBondContact O-N 3.19Å; I92-L95 PolarHBondContact O-N 3.2Å; I92-V96 WeakPolarHBondContact O-CG2 3.31Å; I92-V96 PolarHBondContact O-N 3.4Å
93	G	95.6	Very high	91.3	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-57.2	-40.2	175	0	0	0	0	0	112.6	L89 G90 V96 S97 S121	L89-G93 PolarHBondContact O-N 3.48Å; G90-G93 PolarHBondContact O-N 2.62Å; G93-V96 PolarHBondContact O-N 3.46Å; G93-S97 VanDerWaalsContact O-CB 3.27Å; G93-S97 WeakPolarHBondContact O-CB 3.25Å; G93-S97 PolarHBondContact O-N 3.37Å; G93-S97 PolarHBondContact O-OG 2.99Å; G93-S121 WeakPolarHBondContact O-CB 3.49Å
94	L	95.6	Very high	90	Very high	31 Å²	31	48.3 Å²	48.3	16%	0.162	27%	0.265	C	S	.	.	H	α-helix	trans	-63.9	-46.7	175.9	-176.5	150.9	0	0	0	112	I15 L18 G90 A91 I92 V96 S97 I98 F125	I15-L94 HydrophobicContact CB-CD1 4.45Å; I15-L94 HydrophobicContact CG1-CD1 3.62Å; I15-L94 HydrophobicContact CG1-CG 4.41Å; L18-L94 HydrophobicContact CD2-CB 4.34Å; L18-L94 HydrophobicContact CD2-CD1 3.79Å; G90-L94 VanDerWaalsContact O-CB 3.3Å; G90-L94 WeakPolarHBondContact O-CB 3.31Å; G90-L94 PolarHBondContact O-N 2.86Å; A91-L94 WeakPolarHBondContact O-CB 3.5Å; A91-L94 PolarHBondContact O-N 2.98Å; I92-L94 VanDerWaalsContact C-N 3.27Å; I92-L94 PolarHBondContact O-N 3.19Å; L94-V96 PolarHBondContact O-N 2.89Å; L94-S97 WeakPolarHBondContact CA-OG 3.36Å; L94-S97 PolarHBondContact O-N 2.97Å; L94-S97 PolarHBondContact O-OG 3.29Å; L94-I98 HydrophobicContact CD2-CD1 3.63Å; L94-I98 HydrophobicContact CD2-CG1 4.39Å; L94-I98 WeakPolarHBondContact O-CG1 3.37Å; L94-I98 PolarHBondContact O-N 3.33Å; L94-F125 VanDerWaalsContact CA-CZ 3.5Å; L94-F125 HydrophobicContact CB-CE1 4.21Å; L94-F125 HydrophobicContact CB-CZ 3.83Å
95	L	94.1	Very high	88.2	Confident	101 Å²	101	55.9 Å²	55.9	53%	0.529	29%	0.288	S	S	.	.	H	α-helix	trans	-59.9	-46.5	176.5	-67.2	174.4	0	0	0	111.5	A91 I92 S97 I98 F99	A91-L95 WeakPolarHBondContact O-CG 3.05Å; A91-L95 PolarHBondContact O-N 3.01Å; I92-L95 PolarHBondContact O-N 3.2Å; L95-S97 VanDerWaalsContact C-N 3.31Å; L95-S97 PolarHBondContact O-N 3.44Å; L95-I98 PolarHBondContact O-N 3.26Å; L95-F99 WeakPolarHBondContact O-CD2 3.37Å; L95-F99 PolarHBondContact O-N 3.42Å
96	V	92.6	Very high	86.2	Confident	41 Å²	41	56.3 Å²	56.3	25%	0.248	29%	0.287	C	S	.	.	H	α-helix	trans	-60.7	-42.6	176.1	176.1	0	0	0	0	110.9	I92 G93 L94 I98 F99 A100 M117	I92-V96 WeakPolarHBondContact O-CG2 3.31Å; I92-V96 PolarHBondContact O-N 3.4Å; G93-V96 PolarHBondContact O-N 3.46Å; L94-V96 PolarHBondContact O-N 2.89Å; V96-I98 VanDerWaalsContact C-N 3.32Å; V96-I98 PolarHBondContact O-N 3.38Å; V96-F99 PolarHBondContact O-N 3.29Å; V96-A100 PolarHBondContact O-N 2.96Å; V96-A100 VanDerWaalsContact O-N 3.08Å; V96-M117 HydrophobicContact CG1-CB 4.07Å; V96-M117 WeakPolarHBondContact CG1-O 3.47Å
97	S	91.6	Very high	84.3	Confident	0 Å²	0	59 Å²	59	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-64	-35.1	-179.6	74.6	0	0	0	0	113	F11 G93 L94 L95 A100 L101	F11-S97 VanDerWaalsContact CD2-OG 3.31Å; F11-S97 WeakPolarHBondContact CD2-OG 3.24Å; F11-S97 VanDerWaalsContact CE2-OG 3.27Å; F11-S97 WeakPolarHBondContact CE2-OG 3.37Å; G93-S97 VanDerWaalsContact O-CB 3.27Å; G93-S97 WeakPolarHBondContact O-CB 3.25Å; G93-S97 PolarHBondContact O-N 3.37Å; G93-S97 PolarHBondContact O-OG 2.99Å; L94-S97 WeakPolarHBondContact CA-OG 3.36Å; L94-S97 PolarHBondContact O-N 2.97Å; L94-S97 PolarHBondContact O-OG 3.29Å; L95-S97 VanDerWaalsContact C-N 3.31Å; L95-S97 PolarHBondContact O-N 3.44Å; S97-A100 PolarHBondContact O-N 3.5Å; S97-A100 VanDerWaalsContact O-N 3.15Å; S97-L101 WeakPolarHBondContact O-CG 3.37Å; S97-L101 PolarHBondContact O-N 3.22Å
98	I	90.8	Very high	82.6	Confident	52 Å²	52	63.4 Å²	63.4	27%	0.267	35%	0.348	S	S	.	.	H	α-helix	trans	-59.3	-48.8	174.4	-70.4	169.4	0	0	0	109.8	F11 L94 L95 V96 A100 L101 I104	F11-I98 HydrophobicContact CE2-CG1 3.73Å; F11-I98 HydrophobicContact CZ-CD1 4.47Å; F11-I98 HydrophobicContact CZ-CG1 3.68Å; L94-I98 HydrophobicContact CD2-CD1 3.63Å; L94-I98 HydrophobicContact CD2-CG1 4.39Å; L94-I98 WeakPolarHBondContact O-CG1 3.37Å; L94-I98 PolarHBondContact O-N 3.33Å; L95-I98 PolarHBondContact O-N 3.26Å; V96-I98 VanDerWaalsContact C-N 3.32Å; V96-I98 PolarHBondContact O-N 3.38Å; I98-A100 PolarHBondContact O-N 2.9Å; I98-L101 PolarHBondContact O-N 3.46Å; I98-I104 HydrophobicContact CG2-CD1 3.53Å; I98-I104 WeakPolarHBondContact O-CD1 3.42Å
99	F	87.3	Confident	81	Confident	106 Å²	106	64.4 Å²	64.4	47%	0.465	35%	0.349	S	S	.	.	H	α-helix	trans	-66.3	-24.8	178.2	-64.1	-65.2	0	0	0	113.3	L95 V96 I106	L95-F99 WeakPolarHBondContact O-CD2 3.37Å; L95-F99 PolarHBondContact O-N 3.42Å; V96-F99 PolarHBondContact O-N 3.29Å; F99-I106 HydrophobicContact CD1-CD1 4.26Å; F99-I106 HydrophobicContact CE1-CD1 4.17Å
100	A	85.3	Confident	80	Confident	0 Å²	0	69 Å²	69	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-81.5	-15.2	-179.9	0	0	0	0	0	114.2	Q7 V96 S97 I98 M117 T118	Q7-A100 PolarHBondContact NE2-O 2.88Å; Q7-A100 VanDerWaalsContact NE2-O 3.12Å; V96-A100 PolarHBondContact O-N 2.96Å; V96-A100 VanDerWaalsContact O-N 3.08Å; S97-A100 PolarHBondContact O-N 3.5Å; S97-A100 VanDerWaalsContact O-N 3.15Å; I98-A100 PolarHBondContact O-N 2.9Å; A100-M117 HydrophobicContact CB-CB 3.86Å; A100-T118 WeakPolarHBondContact CB-OG1 3.26Å
101	L	83.2	Confident	79	Confident	17 Å²	17	74.4 Å²	74.4	9%	0.089	40%	0.399	C	S	.	.			trans	-64.7	136.7	-179.6	-71.2	167.3	0	0	0	111.5	Q7 F11 S97 I98 C103 I104 K114	Q7-L101 HydrophobicContact CG-CD2 4.11Å; F11-L101 HydrophobicContact CB-CD2 4.47Å; F11-L101 HydrophobicContact CD1-CD1 4.12Å; F11-L101 HydrophobicContact CD2-CD1 4.42Å; F11-L101 HydrophobicContact CE1-CD1 4.03Å; F11-L101 HydrophobicContact CE2-CD1 4.36Å; F11-L101 HydrophobicContact CG-CD1 4.3Å; F11-L101 HydrophobicContact CZ-CD1 4.15Å; S97-L101 WeakPolarHBondContact O-CG 3.37Å; S97-L101 PolarHBondContact O-N 3.22Å; I98-L101 PolarHBondContact O-N 3.46Å; L101-C103 PolarHBondContact O-N 3.17Å; L101-I104 HydrophobicContact CB-CG1 4.39Å; L101-I104 PolarHBondContact O-N 3.31Å; L101-K114 PolarHBondContact O-NZ 3.47Å
102	K	71.7	Confident	78.2	Confident	83 Å²	83	75 Å²	75	36%	0.361	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-28.3	175.1	-74.3	-159.4	169.1	84.5	0	113.3	I104	K102-I104 PolarHBondContact O-N 2.9Å
103	C	66.4	Low	77.6	Confident	100 Å²	100	72.3 Å²	72.3	68%	0.676	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-15.7	-179.5	-50.1	0	0	0	0	113.1	L101	L101-C103 PolarHBondContact O-N 3.17Å
104	I	66.7	Low	77	Confident	55 Å²	55	73.5 Å²	73.5	28%	0.282	40%	0.396	S	S	.	.			trans	-102.1	108.4	178	-57.7	-166.6	0	0	0	108.6	I98 L101 K102 I106 K114	I98-I104 HydrophobicContact CG2-CD1 3.53Å; I98-I104 WeakPolarHBondContact O-CD1 3.42Å; L101-I104 HydrophobicContact CB-CG1 4.39Å; L101-I104 PolarHBondContact O-N 3.31Å; K102-I104 PolarHBondContact O-N 2.9Å; I104-I106 HydrophobicContact CG2-CB 4.4Å; I104-I106 HydrophobicContact CG2-CD1 3.79Å; I104-I106 PolarHBondContact O-N 2.89Å; I104-K114 PolarHBondContact O-NZ 3.36Å
105	R	58.3	Low	76.6	Confident	234 Å²	234	72.3 Å²	72.3	88%	0.883	39%	0.391	S	S	*	.			trans	-93.5	77	176.7	-165.8	156	-179.8	114.8	-3.3	109.9
106	I	54.5	Low	76.3	Confident	84 Å²	84	72.4 Å²	72.4	43%	0.431	39%	0.392	S	S	.	.			trans	-93.1	102.7	169.8	-111.2	135.9	0	0	0	108	F99 I104 M109	F99-I106 HydrophobicContact CD1-CD1 4.26Å; F99-I106 HydrophobicContact CE1-CD1 4.17Å; I104-I106 HydrophobicContact CG2-CB 4.4Å; I104-I106 HydrophobicContact CG2-CD1 3.79Å; I104-I106 PolarHBondContact O-N 2.89Å; I106-M109 HydrophobicContact CG2-CE 4.46Å; I106-M109 WeakPolarHBondContact O-CG 3.09Å
107	G	56.3	Low	76.2	Confident	59 Å²	59	73.7 Å²	73.7	61%	0.608	40%	0.396	S	S	*	.	S	Bend	trans	66.4	-179.5	176.2	0	0	0	0	0	116.5	M109	G107-M109 PolarHBondContact O-N 3.26Å
108	S	59.9	Low	76.2	Confident	124 Å²	124	73.7 Å²	73.7	87%	0.867	40%	0.396	S	S	*	.	S	Bend	trans	-80.1	53.2	171	64.2	0	0	0	0	111.1	E110	S108-E110 PolarHBondContact O-N 2.94Å
109	M	65.2	Low	76.3	Confident	98 Å²	98	74.5 Å²	74.5	48%	0.483	40%	0.4	S	S	.	.			trans	-70.8	129	175.7	-67.4	-78.8	-179.4	0	0	109.3	I106 G107	I106-M109 HydrophobicContact CG2-CE 4.46Å; I106-M109 WeakPolarHBondContact O-CG 3.09Å; G107-M109 PolarHBondContact O-N 3.26Å
110	E	74.6	Confident	76.6	Confident	141 Å²	141	72.7 Å²	72.7	66%	0.659	40%	0.398	S	S	*	.			trans	-63.9	148.1	173.5	-64.7	-175.5	170.2	0	0	111.2	S108 S112 A113 K114	S108-E110 PolarHBondContact O-N 2.94Å; E110-S112 VanDerWaalsContact CB-OG 3.31Å; E110-S112 WeakPolarHBondContact CB-OG 3.07Å; E110-S112 PolarHBondContact O-N 3.43Å; E110-S112 PolarHBondContact OE2-OG 3.47Å; E110-A113 PolarHBondContact O-N 2.86Å; E110-A113 VanDerWaalsContact O-N 3.09Å; E110-K114 PolarHBondContact O-N 2.98Å
111	D	76.9	Confident	77.1	Confident	113 Å²	113	72.7 Å²	72.7	60%	0.604	40%	0.398	S	S	*	.	H	α-helix	trans	-61.3	-28.1	178.7	-71.4	-45.3	0	0	0	112.3	K114 A115	D111-K114 PolarHBondContact O-N 3.29Å; D111-A115 PolarHBondContact O-N 3.15Å
112	S	79.5	Confident	77.6	Confident	50 Å²	50	71.9 Å²	71.9	35%	0.35	39%	0.394	S	S	.	.	H	α-helix	trans	-59.9	-45.1	172.7	56.1	0	0	0	0	112.3	E110 A115 N116	E110-S112 VanDerWaalsContact CB-OG 3.31Å; E110-S112 WeakPolarHBondContact CB-OG 3.07Å; E110-S112 PolarHBondContact O-N 3.43Å; E110-S112 PolarHBondContact OE2-OG 3.47Å; S112-A115 PolarHBondContact O-N 3.43Å; S112-N116 PolarHBondContact O-N 2.94Å; S112-N116 VanDerWaalsContact O-N 3.08Å; S112-N116 PolarHBondContact O-ND2 3.36Å
113	A	84.3	Confident	78.8	Confident	30 Å²	30	72 Å²	72	25%	0.248	40%	0.398	C	S	.	.	H	α-helix	trans	-65.9	-40.8	178.3	0	0	0	0	0	111.3	E110 A115 N116 M117	E110-A113 PolarHBondContact O-N 2.86Å; E110-A113 VanDerWaalsContact O-N 3.09Å; A113-A115 VanDerWaalsContact C-N 3.35Å; A113-A115 PolarHBondContact O-N 3.32Å; A113-N116 PolarHBondContact O-N 3.42Å; A113-M117 VanDerWaalsContact O-CG 3.29Å; A113-M117 WeakPolarHBondContact O-CG 3.28Å; A113-M117 PolarHBondContact O-N 2.89Å
114	K	83.5	Confident	80.3	Confident	24 Å²	24	70.5 Å²	70.5	10%	0.104	38%	0.382	C	S	.	.	H	α-helix	trans	-64.9	-37.3	176	-69.1	-168.3	172.2	-152.7	0	112.6	L101 I104 E110 D111 T118	L101-K114 PolarHBondContact O-NZ 3.47Å; I104-K114 PolarHBondContact O-NZ 3.36Å; E110-K114 PolarHBondContact O-N 2.98Å; D111-K114 PolarHBondContact O-N 3.29Å; K114-T118 WeakPolarHBondContact O-CB 3.1Å; K114-T118 PolarHBondContact O-N 2.98Å; K114-T118 PolarHBondContact O-OG1 2.95Å
115	A	85.5	Confident	81.7	Confident	6 Å²	6	67.9 Å²	67.9	5%	0.05	37%	0.368	C	S	.	.	H	α-helix	trans	-62.6	-49.7	174.5	0	0	0	0	0	110.9	D111 S112 A113 M117 T118 L119 C196 L199	D111-A115 PolarHBondContact O-N 3.15Å; S112-A115 PolarHBondContact O-N 3.43Å; A113-A115 VanDerWaalsContact C-N 3.35Å; A113-A115 PolarHBondContact O-N 3.32Å; A115-M117 PolarHBondContact O-N 2.93Å; A115-T118 WeakPolarHBondContact O-CB 3.47Å; A115-T118 PolarHBondContact O-N 2.91Å; A115-T118 VanDerWaalsContact O-N 3.15Å; A115-L119 PolarHBondContact O-N 2.83Å; A115-C196 PolarHBondContact O-SG 3.42Å; A115-L199 HydrophobicContact CB-CB 4.48Å
116	N	88.4	Confident	83.6	Confident	104 Å²	104	58.9 Å²	58.9	56%	0.556	34%	0.337	S	S	*	.	H	α-helix	trans	-59.3	-44.5	177.4	-72.1	-25.3	0	0	0	112.3	S112 A113 T118 L119 T120	S112-N116 PolarHBondContact O-N 2.94Å; S112-N116 VanDerWaalsContact O-N 3.08Å; S112-N116 PolarHBondContact O-ND2 3.36Å; A113-N116 PolarHBondContact O-N 3.42Å; N116-T118 VanDerWaalsContact C-N 3.35Å; N116-T118 PolarHBondContact O-N 2.98Å; N116-L119 PolarHBondContact O-N 3.36Å; N116-T120 PolarHBondContact O-N 2.91Å; N116-T120 PolarHBondContact O-OG1 3.26Å
117	M	91.1	Very high	85.6	Confident	68 Å²	68	57.8 Å²	57.8	34%	0.335	33%	0.334	S	S	.	.	H	α-helix	trans	-61.3	-42.2	175.8	-69.8	177.1	-173.9	0	0	112.2	V96 A100 A113 A115 L119 T120 S121	V96-M117 HydrophobicContact CG1-CB 4.07Å; V96-M117 WeakPolarHBondContact CG1-O 3.47Å; A100-M117 HydrophobicContact CB-CB 3.86Å; A113-M117 VanDerWaalsContact O-CG 3.29Å; A113-M117 WeakPolarHBondContact O-CG 3.28Å; A113-M117 PolarHBondContact O-N 2.89Å; A115-M117 PolarHBondContact O-N 2.93Å; M117-L119 VanDerWaalsContact C-N 3.34Å; M117-L119 PolarHBondContact O-N 2.88Å; M117-T120 PolarHBondContact O-N 3.28Å; M117-S121 PolarHBondContact O-N 3.18Å; M117-S121 PolarHBondContact O-OG 3.36Å
118	T	91.4	Very high	87.6	Confident	0 Å²	0	55 Å²	55	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-60.5	-45.3	176.6	-56.1	0	0	0	0	110.8	A100 K114 A115 N116 S121 G122 M192 C196	A100-T118 WeakPolarHBondContact CB-OG1 3.26Å; K114-T118 WeakPolarHBondContact O-CB 3.1Å; K114-T118 PolarHBondContact O-N 2.98Å; K114-T118 PolarHBondContact O-OG1 2.95Å; A115-T118 WeakPolarHBondContact O-CB 3.47Å; A115-T118 PolarHBondContact O-N 2.91Å; A115-T118 VanDerWaalsContact O-N 3.15Å; N116-T118 VanDerWaalsContact C-N 3.35Å; N116-T118 PolarHBondContact O-N 2.98Å; T118-S121 WeakPolarHBondContact CA-OG 3.3Å; T118-S121 PolarHBondContact O-N 3.43Å; T118-S121 PolarHBondContact O-OG 2.75Å; T118-G122 PolarHBondContact O-N 2.96Å; T118-M192 HydrophobicContact CG2-SD 4.2Å; T118-C196 HydrophobicContact CG2-CB 4.26Å
119	L	92.6	Very high	89.4	Confident	68 Å²	68	49.1 Å²	49.1	36%	0.356	26%	0.264	S	S	.	.	H	α-helix	trans	-61.8	-48.6	177.5	-176.4	62.9	0	0	0	111.6	A115 N116 M117 S121 G122 I123 C196	A115-L119 PolarHBondContact O-N 2.83Å; N116-L119 PolarHBondContact O-N 3.36Å; M117-L119 VanDerWaalsContact C-N 3.34Å; M117-L119 PolarHBondContact O-N 2.88Å; L119-S121 VanDerWaalsContact C-N 3.34Å; L119-S121 PolarHBondContact O-N 3.06Å; L119-G122 PolarHBondContact O-N 3.35Å; L119-I123 HydrophobicContact CD1-CD1 4.44Å; L119-I123 HydrophobicContact CG-CD1 4.19Å; L119-I123 WeakPolarHBondContact O-CG1 3.47Å; L119-I123 PolarHBondContact O-N 3.48Å; L119-C196 HydrophobicContact CB-CB 4.33Å
120	T	93.9	Very high	90.9	Very high	69 Å²	69	48.7 Å²	48.7	42%	0.423	26%	0.263	S	S	.	.	H	α-helix	trans	-60.3	-43.8	178.6	-55	0	0	0	0	111.3	N116 M117 G122 I123 M124	N116-T120 PolarHBondContact O-N 2.91Å; N116-T120 PolarHBondContact O-OG1 3.26Å; M117-T120 PolarHBondContact O-N 3.28Å; T120-G122 VanDerWaalsContact C-N 3.33Å; T120-G122 PolarHBondContact O-N 3.47Å; T120-I123 PolarHBondContact O-N 3.38Å; T120-M124 VanDerWaalsContact O-CG 3.31Å; T120-M124 WeakPolarHBondContact O-CG 3.41Å; T120-M124 PolarHBondContact O-N 2.88Å
121	S	95	Very high	91.9	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-62.9	-38.7	176	56.7	0	0	0	0	112.8	G93 M117 T118 L119 M124 F125 M192	G93-S121 WeakPolarHBondContact O-CB 3.49Å; M117-S121 PolarHBondContact O-N 3.18Å; M117-S121 PolarHBondContact O-OG 3.36Å; T118-S121 WeakPolarHBondContact CA-OG 3.3Å; T118-S121 PolarHBondContact O-N 3.43Å; T118-S121 PolarHBondContact O-OG 2.75Å; L119-S121 VanDerWaalsContact C-N 3.34Å; L119-S121 PolarHBondContact O-N 3.06Å; S121-M124 PolarHBondContact O-N 3.31Å; S121-F125 WeakPolarHBondContact O-CD2 3.46Å; S121-F125 PolarHBondContact O-N 2.66Å; S121-M192 PolarHBondContact OG-SD 3.36Å; S121-M192 VanDerWaalsContact OG-SD 3.35Å
122	G	95	Very high	92.8	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-62.1	-45.4	177.3	0	0	0	0	0	112.4	T118 L119 T120 M124 F125 I126	T118-G122 PolarHBondContact O-N 2.96Å; L119-G122 PolarHBondContact O-N 3.35Å; T120-G122 VanDerWaalsContact C-N 3.33Å; T120-G122 PolarHBondContact O-N 3.47Å; G122-M124 PolarHBondContact O-N 3.32Å; G122-F125 PolarHBondContact O-N 3.47Å; G122-I126 WeakPolarHBondContact O-CG1 3.35Å; G122-I126 PolarHBondContact O-N 3.43Å
123	I	96.4	Very high	93.6	Very high	86 Å²	86	37.1 Å²	37.1	44%	0.441	20%	0.203	S	C	.	.	H	α-helix	trans	-61.8	-44.5	176.3	-63.4	167.1	0	0	0	110.7	L119 T120 F125 I126 V127	L119-I123 HydrophobicContact CD1-CD1 4.44Å; L119-I123 HydrophobicContact CG-CD1 4.19Å; L119-I123 WeakPolarHBondContact O-CG1 3.47Å; L119-I123 PolarHBondContact O-N 3.48Å; T120-I123 PolarHBondContact O-N 3.38Å; I123-F125 VanDerWaalsContact C-N 3.32Å; I123-F125 PolarHBondContact O-N 3Å; I123-I126 PolarHBondContact O-N 3.31Å; I123-V127 HydrophobicContact CG2-CG2 4.48Å; I123-V127 WeakPolarHBondContact O-CG2 3.49Å; I123-V127 PolarHBondContact O-N 2.91Å
124	M	96.6	Very high	94.2	Very high	68 Å²	68	37.6 Å²	37.6	34%	0.335	21%	0.207	S	C	.	.	H	α-helix	trans	-60.9	-40.2	177.8	-69.4	-65.4	177.3	0	0	112.2	L89 T120 S121 G122 V127 S128	L89-M124 HydrophobicContact CD2-SD 4.06Å; T120-M124 VanDerWaalsContact O-CG 3.31Å; T120-M124 WeakPolarHBondContact O-CG 3.41Å; T120-M124 PolarHBondContact O-N 2.88Å; S121-M124 PolarHBondContact O-N 3.31Å; G122-M124 PolarHBondContact O-N 3.32Å; M124-V127 PolarHBondContact O-N 3.49Å; M124-S128 WeakPolarHBondContact O-CB 3.41Å; M124-S128 PolarHBondContact O-N 2.95Å
125	F	97.3	Very high	94.7	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-67.2	-37.5	174.8	-76.4	-52.5	0	0	0	113.2	G90 L94 S121 G122 I123 S128 G129 T185	G90-F125 VanDerWaalsContact O-CE1 3.25Å; G90-F125 WeakPolarHBondContact O-CE1 3.24Å; L94-F125 VanDerWaalsContact CA-CZ 3.5Å; L94-F125 HydrophobicContact CB-CE1 4.21Å; L94-F125 HydrophobicContact CB-CZ 3.83Å; S121-F125 WeakPolarHBondContact O-CD2 3.46Å; S121-F125 PolarHBondContact O-N 2.66Å; G122-F125 PolarHBondContact O-N 3.47Å; I123-F125 VanDerWaalsContact C-N 3.32Å; I123-F125 PolarHBondContact O-N 3Å; F125-S128 PolarHBondContact O-N 2.91Å; F125-G129 PolarHBondContact O-N 3.22Å; F125-T185 HydrophobicContact CB-CG2 4.29Å; F125-T185 HydrophobicContact CD1-CG2 3.9Å
126	I	97.8	Very high	95.1	Very high	44 Å²	44	36.1 Å²	36.1	23%	0.226	20%	0.2	C	C	.	.	H	α-helix	trans	-61.9	-49.2	174.6	-68.3	166.2	0	0	0	110.2	G122 I123 S128 G129 L130 V190	G122-I126 WeakPolarHBondContact O-CG1 3.35Å; G122-I126 PolarHBondContact O-N 3.43Å; I123-I126 PolarHBondContact O-N 3.31Å; I126-S128 VanDerWaalsContact C-N 3.35Å; I126-S128 PolarHBondContact O-N 3.34Å; I126-G129 PolarHBondContact O-N 2.05Å; I126-L130 HydrophobicContact CG2-CD1 4.05Å; I126-L130 HydrophobicContact CG2-CG 4.49Å; I126-L130 WeakPolarHBondContact O-CB 3.18Å; I126-L130 VanDerWaalsContact O-CG 3.31Å; I126-L130 WeakPolarHBondContact O-CG 3.34Å; I126-L130 PolarHBondContact O-N 2.86Å; I126-V190 HydrophobicContact CD1-CG2 3.99Å; I126-V190 HydrophobicContact CG1-CG2 4.09Å
127	V	97.6	Very high	95.4	Very high	61 Å²	61	32.9 Å²	32.9	37%	0.37	19%	0.186	S	C	.	.	H	α-helix	trans	-63.3	-43.2	178.9	178.6	0	0	0	0	110.6	L89 I123 M124 G129 L130 C131	L89-V127 HydrophobicContact CD1-CG1 3.8Å; I123-V127 HydrophobicContact CG2-CG2 4.48Å; I123-V127 WeakPolarHBondContact O-CG2 3.49Å; I123-V127 PolarHBondContact O-N 2.91Å; M124-V127 PolarHBondContact O-N 3.49Å; V127-G129 PolarHBondContact O-N 2.86Å; V127-L130 PolarHBondContact O-N 2.75Å; V127-C131 PolarHBondContact O-N 3.05Å; V127-C131 PolarHBondContact O-SG 2.99Å
128	S	97.3	Very high	95.5	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.007	19%	0.185	C	C	.	.	H	α-helix	trans	-56.7	-49.4	174.8	174.1	0	0	0	0	112.4	G86 G90 M124 F125 I126 C131 A132	G86-S128 WeakPolarHBondContact O-CB 3.25Å; G86-S128 PolarHBondContact O-OG 2.96Å; G90-S128 WeakPolarHBondContact CA-OG 3.15Å; M124-S128 WeakPolarHBondContact O-CB 3.41Å; M124-S128 PolarHBondContact O-N 2.95Å; F125-S128 PolarHBondContact O-N 2.91Å; I126-S128 VanDerWaalsContact C-N 3.35Å; I126-S128 PolarHBondContact O-N 3.34Å; S128-C131 PolarHBondContact O-N 3.3Å; S128-A132 PolarHBondContact O-N 2.81Å
129	G	96.8	Very high	95.4	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-63.1	-40.9	177.7	0	0	0	0	0	112.8	F125 I126 V127 A132 I133	F125-G129 PolarHBondContact O-N 3.22Å; I126-G129 PolarHBondContact O-N 2.05Å; V127-G129 PolarHBondContact O-N 2.86Å; G129-A132 PolarHBondContact O-N 2.82Å; G129-I133 WeakPolarHBondContact O-CB 3.22Å; G129-I133 WeakPolarHBondContact O-CG1 3.42Å; G129-I133 PolarHBondContact O-N 3.3Å
130	L	97.4	Very high	95.3	Very high	89 Å²	89	29.9 Å²	29.9	47%	0.466	18%	0.175	S	C	.	.	H	α-helix	trans	-63.8	-42.4	175	-72.3	174.1	0	0	0	112	I126 V127 I133 A134 L186	I126-L130 HydrophobicContact CG2-CD1 4.05Å; I126-L130 HydrophobicContact CG2-CG 4.49Å; I126-L130 WeakPolarHBondContact O-CB 3.18Å; I126-L130 VanDerWaalsContact O-CG 3.31Å; I126-L130 WeakPolarHBondContact O-CG 3.34Å; I126-L130 PolarHBondContact O-N 2.86Å; V127-L130 PolarHBondContact O-N 2.75Å; L130-I133 PolarHBondContact O-N 3.44Å; L130-A134 WeakPolarHBondContact O-CB 3.32Å; L130-A134 PolarHBondContact O-N 2.96Å; L130-L186 HydrophobicContact CD2-CD1 3.63Å; L130-L186 HydrophobicContact CG-CD1 3.97Å
131	C	96.2	Very high	95.1	Very high	23 Å²	23	31.3 Å²	31.3	16%	0.155	18%	0.18	C	C	.	.	H	α-helix	trans	-61.8	-43	175.1	-71.9	0	0	0	0	111.9	V127 S128 G135	V127-C131 PolarHBondContact O-N 3.05Å; V127-C131 PolarHBondContact O-SG 2.99Å; S128-C131 PolarHBondContact O-N 3.3Å; C131-G135 PolarHBondContact O-N 2.86Å
132	A	95.4	Very high	94.6	Very high	2 Å²	2	32.8 Å²	32.8	2%	0.017	19%	0.187	C	C	.	.	H	α-helix	trans	-64.4	-49	177.2	0	0	0	0	0	111.6	M83 S128 G129 A134 G135 V136	M83-A132 HydrophobicContact SD-CB 4.41Å; S128-A132 PolarHBondContact O-N 2.81Å; G129-A132 PolarHBondContact O-N 2.82Å; A132-A134 PolarHBondContact O-N 3.46Å; A132-G135 PolarHBondContact O-N 3.49Å; A132-V136 VanDerWaalsContact O-CG2 3.23Å; A132-V136 WeakPolarHBondContact O-CG2 3.42Å; A132-V136 PolarHBondContact O-N 3.28Å
133	I	96.6	Very high	93.9	Very high	36 Å²	36	33.2 Å²	33.2	19%	0.185	19%	0.189	C	C	.	.	H	α-helix	trans	-57.9	-48.7	176.1	-75.5	167.3	0	0	0	110.6	G129 L130 G135 V136 S137 W179 L186	G129-I133 WeakPolarHBondContact O-CB 3.22Å; G129-I133 WeakPolarHBondContact O-CG1 3.42Å; G129-I133 PolarHBondContact O-N 3.3Å; L130-I133 PolarHBondContact O-N 3.44Å; I133-G135 PolarHBondContact O-N 2.88Å; I133-V136 PolarHBondContact O-N 3.43Å; I133-S137 VanDerWaalsContact O-CB 3.28Å; I133-S137 WeakPolarHBondContact O-CB 3.47Å; I133-S137 PolarHBondContact O-N 2.73Å; I133-S137 PolarHBondContact O-OG 3.38Å; I133-W179 HydrophobicContact CB-CZ3 4.3Å; I133-W179 HydrophobicContact CG1-CE3 4.19Å; I133-W179 HydrophobicContact CG1-CZ3 4.35Å; I133-W179 HydrophobicContact CG2-CE3 4Å; I133-W179 HydrophobicContact CG2-CH2 3.92Å; I133-W179 HydrophobicContact CG2-CZ3 3.34Å; I133-L186 HydrophobicContact CD1-CD1 4.12Å
134	A	95.9	Very high	93.3	Very high	40 Å²	40	31.5 Å²	31.5	33%	0.331	18%	0.182	S	C	.	.	H	α-helix	trans	-61.7	-44.3	178.9	0	0	0	0	0	111.7	L130 A132 V136 S137 V138	L130-A134 WeakPolarHBondContact O-CB 3.32Å; L130-A134 PolarHBondContact O-N 2.96Å; A132-A134 PolarHBondContact O-N 3.46Å; A134-V136 PolarHBondContact O-N 3.42Å; A134-S137 PolarHBondContact O-N 2.85Å; A134-V138 WeakPolarHBondContact O-CB 3.02Å; A134-V138 VanDerWaalsContact O-CG2 3.22Å; A134-V138 WeakPolarHBondContact O-CG2 3.41Å; A134-V138 PolarHBondContact O-N 2.94Å
135	G	94.1	Very high	92.5	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-58.5	-48.6	176.6	0	0	0	0	0	112.4	C131 A132 I133 V138 F139	C131-G135 PolarHBondContact O-N 2.86Å; A132-G135 PolarHBondContact O-N 3.49Å; I133-G135 PolarHBondContact O-N 2.88Å; G135-V138 PolarHBondContact O-N 3.48Å; G135-F139 PolarHBondContact O-N 2.9Å; G135-F139 VanDerWaalsContact O-N 3.13Å
136	V	94.3	Very high	91.5	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-65.7	-39.4	178	179.2	0	0	0	0	111.2	W30 M83 A132 I133 A134 F139 A140 L175 W179	W30-V136 HydrophobicContact CH2-CG2 4.02Å; W30-V136 HydrophobicContact CZ3-CG2 4.35Å; M83-V136 HydrophobicContact CE-CG2 4.39Å; M83-V136 HydrophobicContact SD-CG2 4.08Å; A132-V136 VanDerWaalsContact O-CG2 3.23Å; A132-V136 WeakPolarHBondContact O-CG2 3.42Å; A132-V136 PolarHBondContact O-N 3.28Å; I133-V136 PolarHBondContact O-N 3.43Å; A134-V136 PolarHBondContact O-N 3.42Å; V136-F139 PolarHBondContact O-N 3Å; V136-A140 WeakPolarHBondContact O-CB 3.23Å; V136-A140 PolarHBondContact O-N 3.08Å; V136-L175 HydrophobicContact CG1-CB 4.1Å; V136-L175 HydrophobicContact CG1-CD2 3.66Å; V136-L175 WeakPolarHBondContact CG1-O 3.4Å; V136-W179 VanDerWaalsContact CG1-CD1 3.42Å; V136-W179 HydrophobicContact CG1-CD2 4.31Å; V136-W179 HydrophobicContact CG1-CG 3.98Å
137	S	94.6	Very high	90.3	Very high	36 Å²	36	35.6 Å²	35.6	25%	0.252	21%	0.207	S	C	.	.	H	α-helix	trans	-64.5	-44.8	177.4	-57	0	0	0	0	112.6	I133 A134 F139 A140 N141 W179	I133-S137 VanDerWaalsContact O-CB 3.28Å; I133-S137 WeakPolarHBondContact O-CB 3.47Å; I133-S137 PolarHBondContact O-N 2.73Å; I133-S137 PolarHBondContact O-OG 3.38Å; A134-S137 PolarHBondContact O-N 2.85Å; S137-F139 VanDerWaalsContact C-N 3.31Å; S137-F139 PolarHBondContact O-N 3.42Å; S137-A140 PolarHBondContact O-N 3.26Å; S137-N141 WeakPolarHBondContact O-CB 3.41Å; S137-N141 PolarHBondContact O-N 3.32Å; S137-W179 WeakPolarHBondContact OG-CH2 3.42Å; S137-W179 WeakPolarHBondContact OG-CZ2 3.45Å
138	V	93.2	Very high	89.1	Confident	52 Å²	52	41.7 Å²	41.7	32%	0.315	22%	0.224	S	C	.	.	H	α-helix	trans	-63.3	-42.6	179.3	168.3	0	0	0	0	109.8	V79 A134 G135 N141 M142	V79-V138 HydrophobicContact CG2-CB 4.2Å; V79-V138 HydrophobicContact CG2-CG1 3.87Å; A134-V138 WeakPolarHBondContact O-CB 3.02Å; A134-V138 VanDerWaalsContact O-CG2 3.22Å; A134-V138 WeakPolarHBondContact O-CG2 3.41Å; A134-V138 PolarHBondContact O-N 2.94Å; G135-V138 PolarHBondContact O-N 3.48Å; V138-N141 PolarHBondContact O-N 3.4Å; V138-M142 PolarHBondContact O-N 3.49Å
139	F	89.9	Confident	87.8	Confident	7 Å²	7	47.7 Å²	47.7	3%	0.031	25%	0.253	C	S	.	.	H	α-helix	trans	-62.6	-46.3	174.4	-166.9	-86.3	0	0	0	111.6	W30 L76 V79 G135 V136 S137 N141 M142 L143 L175	W30-F139 HydrophobicContact CB-CE1 3.72Å; W30-F139 HydrophobicContact CB-CZ 3.77Å; W30-F139 HydrophobicContact CE3-CB 4.16Å; W30-F139 AromaticContact CE3-CD1 3.74Å; W30-F139 HydrophobicContact CE3-CD1 3.74Å; W30-F139 AromaticContact CE3-CD2 3.97Å; W30-F139 HydrophobicContact CE3-CD2 3.97Å; W30-F139 HydrophobicContact CE3-CE1 4.04Å; W30-F139 HydrophobicContact CE3-CE2 4.28Å; W30-F139 AromaticContact CE3-CG 3.68Å; W30-F139 HydrophobicContact CE3-CG 3.68Å; W30-F139 HydrophobicContact CE3-CZ 4.31Å; W30-F139 HydrophobicContact CZ3-CB 4.04Å; W30-F139 HydrophobicContact CZ3-CD1 4.46Å; W30-F139 HydrophobicContact CZ3-CD2 4.43Å; W30-F139 HydrophobicContact CZ3-CG 4.07Å; L76-F139 HydrophobicContact CD1-CE2 4.02Å; L76-F139 HydrophobicContact CG-CE2 4.48Å; V79-F139 HydrophobicContact CG1-CB 4.2Å; V79-F139 HydrophobicContact CG1-CD2 4.31Å; V79-F139 HydrophobicContact CG2-CB 4.08Å; V79-F139 HydrophobicContact CG2-CD2 4.44Å; G135-F139 PolarHBondContact O-N 2.9Å; G135-F139 VanDerWaalsContact O-N 3.13Å; V136-F139 PolarHBondContact O-N 3Å; S137-F139 VanDerWaalsContact C-N 3.31Å; S137-F139 PolarHBondContact O-N 3.42Å; F139-N141 VanDerWaalsContact C-N 3.34Å; F139-N141 PolarHBondContact O-N 3.44Å; F139-M142 WeakPolarHBondContact O-CB 3.42Å; F139-M142 PolarHBondContact O-N 2.86Å; F139-L143 HydrophobicContact CD1-CD1 3.55Å; F139-L143 HydrophobicContact CE1-CD1 3.25Å; F139-L143 HydrophobicContact CE1-CD2 4.2Å; F139-L143 HydrophobicContact CE1-CG 4.37Å; F139-L143 HydrophobicContact CG-CD1 4.41Å; F139-L143 HydrophobicContact CZ-CD1 3.88Å; F139-L143 WeakPolarHBondContact O-CD1 3.16Å; F139-L143 PolarHBondContact O-N 3.01Å; F139-L175 HydrophobicContact CB-CD2 4.33Å; F139-L175 HydrophobicContact CD1-CD1 4.17Å; F139-L175 HydrophobicContact CD1-CD2 3.69Å; F139-L175 HydrophobicContact CD1-CG 4.43Å; F139-L175 HydrophobicContact CE1-CD2 4.42Å; F139-L175 HydrophobicContact CG-CD2 4.34Å
140	A	89.1	Confident	86.2	Confident	14 Å²	14	48.5 Å²	48.5	12%	0.116	26%	0.258	C	S	.	.	H	α-helix	trans	-59.1	-43.5	176.3	0	0	0	0	0	112.3	V136 S137 M142 L143 V144 F171	V136-A140 WeakPolarHBondContact O-CB 3.23Å; V136-A140 PolarHBondContact O-N 3.08Å; S137-A140 PolarHBondContact O-N 3.26Å; A140-M142 VanDerWaalsContact C-N 3.32Å; A140-M142 PolarHBondContact O-N 3.13Å; A140-L143 WeakPolarHBondContact O-CB 3.35Å; A140-L143 PolarHBondContact O-N 3.49Å; A140-V144 WeakPolarHBondContact O-CG2 3.29Å; A140-V144 PolarHBondContact O-N 2.86Å; A140-F171 HydrophobicContact CB-CD1 4.37Å; A140-F171 HydrophobicContact CB-CE1 3.7Å
141	N	89.7	Confident	84.6	Confident	99 Å²	99	45.9 Å²	45.9	53%	0.529	25%	0.246	S	C	.	.	H	α-helix	trans	-63.9	-37.3	176.7	-174.1	59.7	0	0	0	112.2	S137 V138 F139 V144 T145	S137-N141 WeakPolarHBondContact O-CB 3.41Å; S137-N141 PolarHBondContact O-N 3.32Å; V138-N141 PolarHBondContact O-N 3.4Å; F139-N141 VanDerWaalsContact C-N 3.34Å; F139-N141 PolarHBondContact O-N 3.44Å; N141-V144 PolarHBondContact O-N 3.3Å; N141-T145 WeakPolarHBondContact O-CB 2.97Å; N141-T145 PolarHBondContact O-N 2.91Å; N141-T145 PolarHBondContact O-OG1 3.23Å
142	M	84.5	Confident	82.9	Confident	30 Å²	30	47.3 Å²	47.3	15%	0.148	26%	0.26	C	S	.	.	H	α-helix	trans	-60.6	-45.7	172.3	177.9	178.4	167.2	0	0	111	P73 M75 V138 F139 A140 T145 N146	P73-M142 HydrophobicContact CB-CE 3.98Å; P73-M142 HydrophobicContact CG-CE 4.05Å; M75-M142 HydrophobicContact CB-SD 4.12Å; M75-M142 HydrophobicContact CE-CB 4.04Å; M75-M142 HydrophobicContact CE-CG 3.89Å; M75-M142 HydrophobicContact CE-SD 4.19Å; V138-M142 PolarHBondContact O-N 3.49Å; F139-M142 WeakPolarHBondContact O-CB 3.42Å; F139-M142 PolarHBondContact O-N 2.86Å; A140-M142 VanDerWaalsContact C-N 3.32Å; A140-M142 PolarHBondContact O-N 3.13Å; M142-T145 PolarHBondContact O-N 3.48Å; M142-N146 WeakPolarHBondContact CG-ND2 3.32Å; M142-N146 PolarHBondContact O-N 2.87Å; M142-N146 PolarHBondContact O-ND2 2.9Å
143	L	82.4	Confident	81.1	Confident	10 Å²	10	52.5 Å²	52.5	5%	0.052	29%	0.287	C	S	.	.	H	α-helix	trans	-58.7	-50.5	176	-92.4	62.2	0	0	0	111.3	F139 A140 T145 N146 F147 F171 L175	F139-L143 HydrophobicContact CD1-CD1 3.55Å; F139-L143 HydrophobicContact CE1-CD1 3.25Å; F139-L143 HydrophobicContact CE1-CD2 4.2Å; F139-L143 HydrophobicContact CE1-CG 4.37Å; F139-L143 HydrophobicContact CG-CD1 4.41Å; F139-L143 HydrophobicContact CZ-CD1 3.88Å; F139-L143 WeakPolarHBondContact O-CD1 3.16Å; F139-L143 PolarHBondContact O-N 3.01Å; A140-L143 WeakPolarHBondContact O-CB 3.35Å; A140-L143 PolarHBondContact O-N 3.49Å; L143-T145 VanDerWaalsContact C-N 3.35Å; L143-T145 PolarHBondContact O-N 3.29Å; L143-N146 PolarHBondContact O-N 3.48Å; L143-F147 WeakPolarHBondContact O-CD2 3.28Å; L143-F147 PolarHBondContact O-N 2.89Å; L143-F171 HydrophobicContact CB-CE1 4.33Å; L143-F171 HydrophobicContact CD2-CD1 3.94Å; L143-F171 HydrophobicContact CD2-CE1 4.43Å; L143-L175 HydrophobicContact CD2-CD1 4.27Å
144	V	82.9	Confident	79.1	Confident	49 Å²	49	57.1 Å²	57.1	30%	0.297	31%	0.31	S	S	.	.	H	α-helix	trans	-57.5	-48.3	179	175.2	0	0	0	0	110.6	A140 N141 N146 F147 W148 F171	A140-V144 WeakPolarHBondContact O-CG2 3.29Å; A140-V144 PolarHBondContact O-N 2.86Å; N141-V144 PolarHBondContact O-N 3.3Å; V144-N146 VanDerWaalsContact C-N 3.3Å; V144-N146 PolarHBondContact O-N 2.78Å; V144-F147 WeakPolarHBondContact O-CB 3.46Å; V144-F147 PolarHBondContact O-N 2.87Å; V144-F147 VanDerWaalsContact O-N 3.1Å; V144-W148 VanDerWaalsContact CG1-CD1 3.5Å; V144-W148 PolarHBondContact O-N 3.49Å; V144-F171 HydrophobicContact CG2-CE1 4.2Å; V144-F171 HydrophobicContact CG2-CZ 3.6Å
145	T	79.9	Confident	77	Confident	72 Å²	72	64.2 Å²	64.2	44%	0.442	33%	0.329	S	S	.	.	H	α-helix	trans	-60.3	-41.6	-179.8	-53.2	0	0	0	0	111.6	N141 M142 L143 F147 W148 M149	N141-T145 WeakPolarHBondContact O-CB 2.97Å; N141-T145 PolarHBondContact O-N 2.91Å; N141-T145 PolarHBondContact O-OG1 3.23Å; M142-T145 PolarHBondContact O-N 3.48Å; L143-T145 VanDerWaalsContact C-N 3.35Å; L143-T145 PolarHBondContact O-N 3.29Å; T145-F147 PolarHBondContact O-N 2.93Å; T145-W148 PolarHBondContact O-N 3.45Å; T145-M149 WeakPolarHBondContact O-CB 3.39Å; T145-M149 PolarHBondContact O-N 2.84Å
146	N	75.5	Confident	75.1	Confident	86 Å²	86	69.7 Å²	69.7	46%	0.46	36%	0.363	S	S	.	.	H	α-helix	trans	-63	-40.4	175.5	-78.1	-64.1	0	0	0	112.1	M142 L143 V144 S150	M142-N146 WeakPolarHBondContact CG-ND2 3.32Å; M142-N146 PolarHBondContact O-N 2.87Å; M142-N146 PolarHBondContact O-ND2 2.9Å; L143-N146 PolarHBondContact O-N 3.48Å; V144-N146 VanDerWaalsContact C-N 3.3Å; V144-N146 PolarHBondContact O-N 2.78Å; N146-S150 WeakPolarHBondContact O-CB 3.38Å; N146-S150 PolarHBondContact O-N 3.48Å
147	F	73.4	Confident	73.5	Confident	41 Å²	41	73 Å²	73	18%	0.18	40%	0.397	C	S	.	.	H	α-helix	trans	-62.1	-45.4	174.6	-83.1	-68.4	0	0	0	113.8	L143 V144 T145 T151 R168 Y169 T170	L143-F147 WeakPolarHBondContact O-CD2 3.28Å; L143-F147 PolarHBondContact O-N 2.89Å; V144-F147 WeakPolarHBondContact O-CB 3.46Å; V144-F147 PolarHBondContact O-N 2.87Å; V144-F147 VanDerWaalsContact O-N 3.1Å; T145-F147 PolarHBondContact O-N 2.93Å; F147-T151 WeakPolarHBondContact O-CB 3.28Å; F147-T151 PolarHBondContact O-N 2.92Å; F147-T151 PolarHBondContact O-OG1 3.32Å; F147-R168 HydrophobicContact CD1-CB 4.42Å; F147-R168 HydrophobicContact CE1-CB 3.77Å; F147-R168 HydrophobicContact CE1-CG 4.45Å; F147-Y169 WeakPolarHBondContact CE2-O 3.35Å; F147-Y169 VanDerWaalsContact CZ-N 3.31Å; F147-Y169 WeakPolarHBondContact CZ-O 3.48Å; F147-T170 HydrophobicContact CZ-CG2 3.91Å; F147-T170 VanDerWaalsContact CZ-N 3.32Å
148	W	72.4	Confident	71.5	Confident	189 Å²	189	80.3 Å²	80.3	72%	0.716	43%	0.43	S	S	*	.	H	α-helix	trans	-68.7	-42.5	-179	-81.2	90	0	0	0	111.4	V144 T145 S150 T151 A152	V144-W148 VanDerWaalsContact CG1-CD1 3.5Å; V144-W148 PolarHBondContact O-N 3.49Å; T145-W148 PolarHBondContact O-N 3.45Å; W148-S150 PolarHBondContact O-N 2.83Å; W148-T151 PolarHBondContact O-N 3.12Å; W148-T151 VanDerWaalsContact O-N 3.14Å; W148-A152 WeakPolarHBondContact O-CB 3.47Å; W148-A152 PolarHBondContact O-N 2.76Å
149	M	69.1	Low	69.1	Low	127 Å²	127	81.6 Å²	81.6	63%	0.626	45%	0.454	S	S	*	.	H	α-helix	trans	-64.6	-40.7	177.4	-165.3	170.7	-147.4	0	0	111.7	T145 T151 A152 N153	T145-M149 WeakPolarHBondContact O-CB 3.39Å; T145-M149 PolarHBondContact O-N 2.84Å; M149-T151 VanDerWaalsContact C-N 3.3Å; M149-T151 PolarHBondContact O-N 3.39Å; M149-A152 PolarHBondContact O-N 2.97Å; M149-N153 PolarHBondContact O-N 2.64Å; M149-N153 PolarHBondContact O-ND2 3.43Å
150	S	63.8	Low	66.9	Low	16 Å²	16	84.7 Å²	84.7	11%	0.112	49%	0.487	C	S	.	.	H	α-helix	trans	-58.8	-41.2	171.3	169.9	0	0	0	0	112.1	N146 W148 Q166	N146-S150 WeakPolarHBondContact O-CB 3.38Å; N146-S150 PolarHBondContact O-N 3.48Å; W148-S150 PolarHBondContact O-N 2.83Å; S150-Q166 VanDerWaalsContact CA-OE1 3.24Å; S150-Q166 VanDerWaalsContact CB-OE1 3.24Å; S150-Q166 PolarHBondContact O-OE1 3.47Å; S150-Q166 PolarHBondContact OG-OE1 3.22Å
151	T	64	Low	64.7	Low	34 Å²	34	92.9 Å²	92.9	21%	0.209	53%	0.525	C	S	.	.	H	α-helix	trans	-72.4	-40.8	179.6	-56.7	0	0	0	0	112.6	F147 W148 M149 N153 M154 Y155 R168	F147-T151 WeakPolarHBondContact O-CB 3.28Å; F147-T151 PolarHBondContact O-N 2.92Å; F147-T151 PolarHBondContact O-OG1 3.32Å; W148-T151 PolarHBondContact O-N 3.12Å; W148-T151 VanDerWaalsContact O-N 3.14Å; M149-T151 VanDerWaalsContact C-N 3.3Å; M149-T151 PolarHBondContact O-N 3.39Å; T151-N153 PolarHBondContact O-N 3.27Å; T151-M154 WeakPolarHBondContact O-CB 3.4Å; T151-M154 PolarHBondContact O-N 2.86Å; T151-M154 VanDerWaalsContact O-N 3.1Å; T151-Y155 HydrophobicContact CG2-CD2 4.11Å; T151-Y155 HydrophobicContact CG2-CE2 3.68Å; T151-Y155 VanDerWaalsContact O-CD2 3.28Å; T151-Y155 WeakPolarHBondContact O-CD2 3.35Å; T151-R168 PolarHBondContact OG1-NH1 2.91Å; T151-R168 PolarHBondContact OG1-NH2 3.47Å
152	A	60.1	Low	62.6	Low	53 Å²	53	93.6 Å²	93.6	44%	0.438	53%	0.533	S	S	.	.	H	α-helix	trans	-66.6	-37.3	-178.4	0	0	0	0	0	113	W148 M149 M154 Y155 T156	W148-A152 WeakPolarHBondContact O-CB 3.47Å; W148-A152 PolarHBondContact O-N 2.76Å; M149-A152 PolarHBondContact O-N 2.97Å; A152-M154 PolarHBondContact O-N 2.97Å; A152-Y155 PolarHBondContact O-N 3.17Å; A152-T156 PolarHBondContact O-N 3.27Å; A152-T156 PolarHBondContact O-OG1 3.19Å; A152-T156 VanDerWaalsContact O-OG1 3.07Å
153	N	58.6	Low	60.6	Low	111 Å²	111	102 Å²	102	59%	0.594	57%	0.572	S	S	*	*	H	α-helix	trans	-65.5	-19.9	173.6	-72.7	-47.7	0	0	0	112.8	M149 T151	M149-N153 PolarHBondContact O-N 2.64Å; M149-N153 PolarHBondContact O-ND2 3.43Å; T151-N153 PolarHBondContact O-N 3.27Å
154	M	53.1	Low	58.7	Low	134 Å²	134	105.8 Å²	105.8	66%	0.66	60%	0.595	S	S	*	*	H	α-helix	trans	-75.9	-34.8	174.5	-170.5	-177.7	176.8	0	0	112.7	T151 A152	T151-M154 WeakPolarHBondContact O-CB 3.4Å; T151-M154 PolarHBondContact O-N 2.86Å; T151-M154 VanDerWaalsContact O-N 3.1Å; A152-M154 PolarHBondContact O-N 2.97Å
155	Y	52.5	Low	57	Low	189 Å²	189	106.5 Å²	106.5	74%	0.741	60%	0.6	S	S	*	*	H	α-helix	trans	-86.2	-20.8	-178.4	-72.1	-77.8	0	0	0	113.6	T151 A152 G157	T151-Y155 HydrophobicContact CG2-CD2 4.11Å; T151-Y155 HydrophobicContact CG2-CE2 3.68Å; T151-Y155 VanDerWaalsContact O-CD2 3.28Å; T151-Y155 WeakPolarHBondContact O-CD2 3.35Å; A152-Y155 PolarHBondContact O-N 3.17Å; Y155-G157 PolarHBondContact O-N 3.4Å
156	T	54.3	Low	55.6	Low	114 Å²	114	107.8 Å²	107.8	70%	0.699	60%	0.601	S	S	*	*	S	Bend	trans	-100.7	59.2	-178.9	-37.2	0	0	0	0	110.2	A152 M158	A152-T156 PolarHBondContact O-N 3.27Å; A152-T156 PolarHBondContact O-OG1 3.19Å; A152-T156 VanDerWaalsContact O-OG1 3.07Å; T156-M158 PolarHBondContact O-N 3.02Å
157	G	61.6	Low	54.6	Low	71 Å²	71	106.4 Å²	106.4	73%	0.732	60%	0.596	S	S	*	*			trans	-67.8	100.9	-175.9	0	0	0	0	0	112.7	Y155	Y155-G157 PolarHBondContact O-N 3.4Å
158	M	50.8	Low	54.2	Low	189 Å²	189	108 Å²	108	93%	0.931	60%	0.601	S	S	*	*			trans	-174.4	108.6	155.7	-168.7	155.8	31.5	0	0	111.7	T156	T156-M158 PolarHBondContact O-N 3.02Å
159	G	44.1	Very low	54.1	Low	79 Å²	79	101.3 Å²	101.3	81%	0.814	58%	0.576	S	S	*	*	S	Bend	trans	129.5	73.4	156.3	0	0	0	0	0	118.4
160	G	44.3	Very low	54.6	Low	71 Å²	71	97 Å²	97	73%	0.732	56%	0.556	S	S	*	*			trans	73.7	110.3	139.4	0	0	0	0	0	119.9
161	M	42	Very low	55.6	Low	187 Å²	187	100.6 Å²	100.6	92%	0.921	57%	0.57	S	S	*	*			trans	55.3	95.6	163.9	-63.6	-171.2	-72.8	0	0	114.1
162	V	44.8	Very low	56.6	Low	113 Å²	113	99 Å²	99	69%	0.685	56%	0.56	S	S	*	*				-162.8	117.3	75.2	161.6	0	0	0	0	107.7	T164	V162-T164 HydrophobicContact CG1-CG2 3.26Å; V162-T164 PolarHBondContact O-N 3.5Å; V162-T164 VanDerWaalsContact O-N 3.1Å
163	Q	42.8	Very low	58	Low	206 Å²	206	99 Å²	99	96%	0.963	56%	0.56	S	S	*	*			trans	-84.4	66.1	170.8	-161.5	158.5	9.8	0	0	108.8
164	T	43.3	Very low	59.6	Low	90 Å²	90	93.7 Å²	93.7	55%	0.552	53%	0.532	S	S	*	.			trans	-84.5	124	165.1	48	0	0	0	0	107.3	V162 Q166	V162-T164 HydrophobicContact CG1-CG2 3.26Å; V162-T164 PolarHBondContact O-N 3.5Å; V162-T164 VanDerWaalsContact O-N 3.1Å; T164-Q166 PolarHBondContact O-N 3.36Å
165	V	47.8	Very low	61.5	Low	65 Å²	65	87.5 Å²	87.5	39%	0.394	50%	0.502	S	S	.	.			trans	-40.5	109.5	170.6	-174.2	0	0	0	0	109.2	N38 T167	N38-V165 HydrophobicContact CB-CG1 3.82Å; N38-V165 VanDerWaalsContact CG-CG1 3.47Å; N38-V165 VanDerWaalsContact ND2-CB 3.25Å; N38-V165 WeakPolarHBondContact ND2-CB 3.39Å; N38-V165 WeakPolarHBondContact ND2-CG1 3Å; N38-V165 VanDerWaalsContact ND2-CG2 3.32Å; N38-V165 WeakPolarHBondContact ND2-CG2 2.82Å; V165-T167 WeakPolarHBondContact O-CG2 3.28Å; V165-T167 PolarHBondContact O-N 3.48Å
166	Q	50.3	Low	63.4	Low	98 Å²	98	84.5 Å²	84.5	46%	0.458	49%	0.492	S	S	.	.			trans	-69.4	100.9	-167.1	-77	-96.8	-97.5	0	0	108.5	S150 T164 R168	S150-Q166 VanDerWaalsContact CA-OE1 3.24Å; S150-Q166 VanDerWaalsContact CB-OE1 3.24Å; S150-Q166 PolarHBondContact O-OE1 3.47Å; S150-Q166 PolarHBondContact OG-OE1 3.22Å; T164-Q166 PolarHBondContact O-N 3.36Å; Q166-R168 PolarHBondContact O-N 2.91Å
167	T	54.8	Low	65.4	Low	58 Å²	58	81.7 Å²	81.7	36%	0.356	48%	0.475	S	S	.	.			trans	-65.1	98	178.3	59.7	0	0	0	0	108.6	Q33 V165 Y169	Q33-T167 VanDerWaalsContact NE2-CB 3.28Å; V165-T167 WeakPolarHBondContact O-CG2 3.28Å; V165-T167 PolarHBondContact O-N 3.48Å; T167-Y169 VanDerWaalsContact O-CD2 3.25Å; T167-Y169 WeakPolarHBondContact O-CD2 3.25Å; T167-Y169 VanDerWaalsContact OG1-CE2 3.29Å; T167-Y169 WeakPolarHBondContact OG1-CE2 3.35Å
168	R	64.3	Low	67	Low	75 Å²	75	78.3 Å²	78.3	28%	0.283	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	126.6	174.9	-71.1	-67.7	177.6	142.2	-5.5	107.8	Q33 D34 F147 T151 Q166	Q33-R168 CarbonylContact C-O 3.49Å; Q33-R168 VanDerWaalsContact CA-O 3.31Å; Q33-R168 WeakPolarHBondContact CA-O 3.14Å; D34-R168 HydrophobicContact CB-CB 3.83Å; D34-R168 PolarHBondContact N-O 3.31Å; F147-R168 HydrophobicContact CD1-CB 4.42Å; F147-R168 HydrophobicContact CE1-CB 3.77Å; F147-R168 HydrophobicContact CE1-CG 4.45Å; T151-R168 PolarHBondContact OG1-NH1 2.91Å; T151-R168 PolarHBondContact OG1-NH2 3.47Å; Q166-R168 PolarHBondContact O-N 2.91Å
169	Y	69	Low	69.2	Low	48 Å²	48	74.4 Å²	74.4	19%	0.188	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	87.8	-170.2	-87.4	-70.3	0	0	0	113.5	S31 T32 Q33 Q45 E47 F147 T167	S31-Y169 WeakPolarHBondContact OG-CB 3.5Å; S31-Y169 WeakPolarHBondContact OG-CD1 3.29Å; T32-Y169 CarbonylContact O-C 3.28Å; T32-Y169 VanDerWaalsContact O-C 3.28Å; T32-Y169 VanDerWaalsContact O-CA 3.3Å; T32-Y169 WeakPolarHBondContact O-CA 3.47Å; Q33-Y169 HydrophobicContact CB-CE1 4.4Å; Q45-Y169 PolarHBondContact NE2-OH 2.86Å; E47-Y169 HydrophobicContact CG-CE1 4.21Å; F147-Y169 WeakPolarHBondContact CE2-O 3.35Å; F147-Y169 VanDerWaalsContact CZ-N 3.31Å; F147-Y169 WeakPolarHBondContact CZ-O 3.48Å; T167-Y169 VanDerWaalsContact O-CD2 3.25Å; T167-Y169 WeakPolarHBondContact O-CD2 3.25Å; T167-Y169 VanDerWaalsContact OG1-CE2 3.29Å; T167-Y169 WeakPolarHBondContact OG1-CE2 3.35Å
170	T	80.6	Confident	71.7	Confident	36 Å²	36	75 Å²	75	22%	0.221	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	164	-178	44.5	0	0	0	0	114.2	S31 T32 D34 F147 G172	S31-T170 WeakPolarHBondContact CA-O 3.49Å; S31-T170 PolarHBondContact OG-O 3.48Å; T32-T170 PolarHBondContact N-O 3.4Å; T32-T170 PolarHBondContact O-N 3.18Å; T32-T170 PolarHBondContact O-OG1 2.95Å; T32-T170 VanDerWaalsContact O-OG1 3.07Å; T32-T170 PolarHBondContact OG1-OG1 2.77Å; D34-T170 WeakPolarHBondContact OD1-CG2 3.33Å; D34-T170 PolarHBondContact OD1-OG1 3.15Å; D34-T170 VanDerWaalsContact OD1-OG1 3.13Å; D34-T170 WeakPolarHBondContact OD2-CG2 3.27Å; F147-T170 HydrophobicContact CZ-CG2 3.91Å; F147-T170 VanDerWaalsContact CZ-N 3.32Å; T170-G172 PolarHBondContact O-N 2.98Å
171	F	83.9	Confident	74.3	Confident	92 Å²	92	71.8 Å²	71.8	40%	0.404	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	120.5	176.5	-64	-60.7	0	0	0	110.4	A140 L143 V144 L175 F176	A140-F171 HydrophobicContact CB-CD1 4.37Å; A140-F171 HydrophobicContact CB-CE1 3.7Å; L143-F171 HydrophobicContact CB-CE1 4.33Å; L143-F171 HydrophobicContact CD2-CD1 3.94Å; L143-F171 HydrophobicContact CD2-CE1 4.43Å; V144-F171 HydrophobicContact CG2-CE1 4.2Å; V144-F171 HydrophobicContact CG2-CZ 3.6Å; F171-L175 HydrophobicContact CB-CD1 4.14Å; F171-L175 HydrophobicContact CD1-CD1 3.53Å; F171-L175 HydrophobicContact CE1-CD1 4.43Å; F171-L175 HydrophobicContact CG-CD1 4.3Å; F171-F176 HydrophobicContact CB-CE2 4.19Å; F171-F176 HydrophobicContact CB-CZ 4.26Å
172	G	86.6	Confident	76.8	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-77.2	161	174.6	0	0	0	0	0	112.8	M29 W30 T170 A174 L175	M29-G172 CarbonylContact O-C 3.51Å; M29-G172 VanDerWaalsContact O-C 3.29Å; M29-G172 VanDerWaalsContact O-CA 3.29Å; M29-G172 WeakPolarHBondContact O-CA 3.25Å; W30-G172 WeakPolarHBondContact O-CA 3.41Å; W30-G172 PolarHBondContact O-N 2.88Å; T170-G172 PolarHBondContact O-N 2.98Å; G172-A174 PolarHBondContact O-N 3.18Å; G172-A174 VanDerWaalsContact O-N 3.17Å; G172-L175 PolarHBondContact O-N 3.4Å
173	A	89.8	Confident	79.4	Confident	53 Å²	53	58.5 Å²	58.5	44%	0.438	30%	0.303	S	S	.	.	H	α-helix	trans	-56.2	-32.2	179.5	0	0	0	0	0	113.4	M27 M29 L175 F176 V177	M27-A173 HydrophobicContact CE-CB 4.15Å; M29-A173 PolarHBondContact O-N 2.96Å; A173-L175 PolarHBondContact O-N 3.03Å; A173-F176 PolarHBondContact O-N 3.49Å; A173-V177 PolarHBondContact O-N 2.96Å
174	A	91.8	Very high	81.9	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-63.1	-29.9	-177.9	0	0	0	0	0	113	M27 M29 W30 G172 V177 G178	M27-A174 HydrophobicContact CB-CB 3.71Å; M27-A174 HydrophobicContact CE-CB 4Å; M27-A174 HydrophobicContact SD-CB 4.06Å; M29-A174 WeakPolarHBondContact O-CB 3.3Å; M29-A174 PolarHBondContact O-N 3.11Å; W30-A174 VanDerWaalsContact CD1-CB 3.46Å; W30-A174 HydrophobicContact CD2-CB 4.4Å; W30-A174 HydrophobicContact CG-CB 3.97Å; G172-A174 PolarHBondContact O-N 3.18Å; G172-A174 VanDerWaalsContact O-N 3.17Å; A174-V177 PolarHBondContact O-N 3.23Å; A174-G178 PolarHBondContact O-N 3.17Å
175	L	91.4	Very high	84.5	Confident	4 Å²	4	47 Å²	47	2%	0.021	25%	0.245	C	C	.	.	H	α-helix	trans	-66.2	-44.5	178.1	-66.1	175.7	0	0	0	111.2	W30 V136 F139 L143 F171 G172 A173 V177 G178 W179	W30-L175 HydrophobicContact CD2-CD2 4.24Å; W30-L175 HydrophobicContact CE3-CD2 3.46Å; W30-L175 VanDerWaalsContact CE3-CD2 3.46Å; W30-L175 HydrophobicContact CE3-CG 4.49Å; W30-L175 HydrophobicContact CZ3-CD2 3.74Å; W30-L175 WeakPolarHBondContact O-CD1 2.89Å; V136-L175 HydrophobicContact CG1-CB 4.1Å; V136-L175 HydrophobicContact CG1-CD2 3.66Å; V136-L175 WeakPolarHBondContact CG1-O 3.4Å; F139-L175 HydrophobicContact CB-CD2 4.33Å; F139-L175 HydrophobicContact CD1-CD1 4.17Å; F139-L175 HydrophobicContact CD1-CD2 3.69Å; F139-L175 HydrophobicContact CD1-CG 4.43Å; F139-L175 HydrophobicContact CE1-CD2 4.42Å; F139-L175 HydrophobicContact CG-CD2 4.34Å; L143-L175 HydrophobicContact CD2-CD1 4.27Å; F171-L175 HydrophobicContact CB-CD1 4.14Å; F171-L175 HydrophobicContact CD1-CD1 3.53Å; F171-L175 HydrophobicContact CE1-CD1 4.43Å; F171-L175 HydrophobicContact CG-CD1 4.3Å; G172-L175 PolarHBondContact O-N 3.4Å; A173-L175 PolarHBondContact O-N 3.03Å; L175-V177 VanDerWaalsContact C-N 3.34Å; L175-V177 PolarHBondContact O-N 3.45Å; L175-G178 PolarHBondContact O-N 3.39Å; L175-W179 PolarHBondContact O-N 3.27Å
176	F	94.1	Very high	86.9	Confident	125 Å²	125	46.1 Å²	46.1	55%	0.548	24%	0.238	S	C	.	.	H	α-helix	trans	-62.9	-43	177	-60.1	-77	0	0	0	111.5	F171 A173 G178 W179 V180	F171-F176 HydrophobicContact CB-CE2 4.19Å; F171-F176 HydrophobicContact CB-CZ 4.26Å; A173-F176 PolarHBondContact O-N 3.49Å; F176-G178 VanDerWaalsContact C-N 3.33Å; F176-G178 PolarHBondContact O-N 2.83Å; F176-W179 PolarHBondContact O-N 2.95Å; F176-V180 WeakPolarHBondContact O-CG2 2.71Å; F176-V180 PolarHBondContact O-N 2.85Å
177	V	95.2	Very high	89.1	Confident	55 Å²	55	45.7 Å²	45.7	33%	0.333	24%	0.237	S	C	.	.	H	α-helix	trans	-60.6	-44.4	174.8	179.5	0	0	0	0	110.5	A24 M27 A173 A174 L175 W179 V180 A181	A24-V177 HydrophobicContact CB-CB 4.41Å; A24-V177 HydrophobicContact CB-CG1 4.17Å; M27-V177 HydrophobicContact SD-CB 4.48Å; M27-V177 HydrophobicContact SD-CG2 4.25Å; A173-V177 PolarHBondContact O-N 2.96Å; A174-V177 PolarHBondContact O-N 3.23Å; L175-V177 VanDerWaalsContact C-N 3.34Å; L175-V177 PolarHBondContact O-N 3.45Å; V177-W179 PolarHBondContact O-N 2.94Å; V177-V180 PolarHBondContact O-N 2.91Å; V177-A181 WeakPolarHBondContact O-CB 3Å; V177-A181 PolarHBondContact O-N 2.84Å
178	G	95.3	Very high	91	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-62	-41.6	177.7	0	0	0	0	0	113.6	A174 L175 F176 G182	A174-G178 PolarHBondContact O-N 3.17Å; L175-G178 PolarHBondContact O-N 3.39Å; F176-G178 VanDerWaalsContact C-N 3.33Å; F176-G178 PolarHBondContact O-N 2.83Å; G178-G182 PolarHBondContact O-N 2.95Å
179	W	97.1	Very high	92.5	Very high	107 Å²	107	39.4 Å²	39.4	41%	0.405	21%	0.207	S	C	.	.	H	α-helix	trans	-62.2	-48.9	174.4	-83	113.4	0	0	0	112.5	I133 V136 S137 L175 F176 V177 G183	I133-W179 HydrophobicContact CB-CZ3 4.3Å; I133-W179 HydrophobicContact CG1-CE3 4.19Å; I133-W179 HydrophobicContact CG1-CZ3 4.35Å; I133-W179 HydrophobicContact CG2-CE3 4Å; I133-W179 HydrophobicContact CG2-CH2 3.92Å; I133-W179 HydrophobicContact CG2-CZ3 3.34Å; V136-W179 VanDerWaalsContact CG1-CD1 3.42Å; V136-W179 HydrophobicContact CG1-CD2 4.31Å; V136-W179 HydrophobicContact CG1-CG 3.98Å; S137-W179 WeakPolarHBondContact OG-CH2 3.42Å; S137-W179 WeakPolarHBondContact OG-CZ2 3.45Å; L175-W179 PolarHBondContact O-N 3.27Å; F176-W179 PolarHBondContact O-N 2.95Å; V177-W179 PolarHBondContact O-N 2.94Å; W179-G183 PolarHBondContact O-N 3Å
180	V	97.5	Very high	93.8	Very high	92 Å²	92	39.9 Å²	39.9	56%	0.558	22%	0.215	S	C	*	.	H	α-helix	trans	-63.9	-45.4	178.7	173.3	0	0	0	0	110.3	F176 V177 G183 L184	F176-V180 WeakPolarHBondContact O-CG2 2.71Å; F176-V180 PolarHBondContact O-N 2.85Å; V177-V180 PolarHBondContact O-N 2.91Å; V180-G183 PolarHBondContact O-N 3.32Å; V180-L184 HydrophobicContact CG1-CD1 3.9Å; V180-L184 HydrophobicContact CG1-CG 4.33Å; V180-L184 WeakPolarHBondContact O-CB 3.38Å; V180-L184 VanDerWaalsContact O-CG 3.28Å; V180-L184 WeakPolarHBondContact O-CG 3.31Å; V180-L184 PolarHBondContact O-N 3.26Å
181	A	96.9	Very high	94.4	Very high	3 Å²	3	40.4 Å²	40.4	3%	0.025	22%	0.215	C	C	.	.	H	α-helix	trans	-62.4	-46	179	0	0	0	0	0	112.6	G17 G20 V177 L184 T185	G17-A181 WeakPolarHBondContact CA-O 3.48Å; G17-A181 WeakPolarHBondContact O-CB 3.27Å; G20-A181 VanDerWaalsContact C-CB 3.41Å; V177-A181 WeakPolarHBondContact O-CB 3Å; V177-A181 PolarHBondContact O-N 2.84Å; A181-L184 PolarHBondContact O-N 3.18Å; A181-T185 WeakPolarHBondContact O-CB 3.42Å; A181-T185 PolarHBondContact O-N 2.9Å; A181-T185 PolarHBondContact O-OG1 2.76Å
182	G	96.5	Very high	94.8	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-62.3	-41.9	174.8	0	0	0	0	0	112.1	G178 T185 L186	G178-G182 PolarHBondContact O-N 2.95Å; G182-T185 PolarHBondContact O-N 3.18Å; G182-L186 WeakPolarHBondContact O-CB 3.4Å; G182-L186 PolarHBondContact O-N 2.96Å
183	G	97.3	Very high	95	Very high	21 Å²	21	37.1 Å²	37.1	22%	0.216	20%	0.204	C	C	.	.	H	α-helix	trans	-62.4	-46.6	174.9	0	0	0	0	0	113.1	W179 V180 T185 L186 I187	W179-G183 PolarHBondContact O-N 3Å; V180-G183 PolarHBondContact O-N 3.32Å; G183-T185 VanDerWaalsContact C-N 3.33Å; G183-T185 PolarHBondContact O-N 2.88Å; G183-L186 PolarHBondContact O-N 3.19Å; G183-I187 WeakPolarHBondContact O-CB 3.21Å; G183-I187 VanDerWaalsContact O-CG1 3.26Å; G183-I187 WeakPolarHBondContact O-CG1 3.35Å; G183-I187 PolarHBondContact O-N 3.03Å
184	L	97.3	Very high	95	Very high	55 Å²	55	39.6 Å²	39.6	29%	0.288	21%	0.208	S	C	.	.	H	α-helix	trans	-60.9	-42.4	175.7	-72.7	170.3	0	0	0	111.8	L13 V180 A181 I187 G188	L13-L184 HydrophobicContact CD2-CD2 3.85Å; V180-L184 HydrophobicContact CG1-CD1 3.9Å; V180-L184 HydrophobicContact CG1-CG 4.33Å; V180-L184 WeakPolarHBondContact O-CB 3.38Å; V180-L184 VanDerWaalsContact O-CG 3.28Å; V180-L184 WeakPolarHBondContact O-CG 3.31Å; V180-L184 PolarHBondContact O-N 3.26Å; A181-L184 PolarHBondContact O-N 3.18Å; L184-I187 PolarHBondContact O-N 3.39Å; L184-G188 PolarHBondContact O-N 3.43Å
185	T	97.1	Very high	94.7	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-63.6	-42.3	177.4	-50.1	0	0	0	0	111.2	G17 F125 A181 G182 G183 G188 G189	G17-T185 VanDerWaalsContact CA-OG1 3.24Å; G17-T185 WeakPolarHBondContact CA-OG1 3.37Å; F125-T185 HydrophobicContact CB-CG2 4.29Å; F125-T185 HydrophobicContact CD1-CG2 3.9Å; A181-T185 WeakPolarHBondContact O-CB 3.42Å; A181-T185 PolarHBondContact O-N 2.9Å; A181-T185 PolarHBondContact O-OG1 2.76Å; G182-T185 PolarHBondContact O-N 3.18Å; G183-T185 VanDerWaalsContact C-N 3.33Å; G183-T185 PolarHBondContact O-N 2.88Å; T185-G188 PolarHBondContact O-N 3.28Å; T185-G189 PolarHBondContact O-N 3.45Å
186	L	97.3	Very high	94.3	Very high	47 Å²	47	40 Å²	40	25%	0.246	21%	0.212	C	C	.	.	H	α-helix	trans	-65.8	-47.1	178.3	-170.2	151.2	0	0	0	111.4	L130 I133 G182 G183 G188 G189 V190	L130-L186 HydrophobicContact CD2-CD1 3.63Å; L130-L186 HydrophobicContact CG-CD1 3.97Å; I133-L186 HydrophobicContact CD1-CD1 4.12Å; G182-L186 WeakPolarHBondContact O-CB 3.4Å; G182-L186 PolarHBondContact O-N 2.96Å; G183-L186 PolarHBondContact O-N 3.19Å; L186-G188 PolarHBondContact O-N 3Å; L186-G189 PolarHBondContact O-N 2.76Å; L186-V190 HydrophobicContact CD2-CG2 4.16Å; L186-V190 WeakPolarHBondContact O-CG2 3.21Å; L186-V190 PolarHBondContact O-N 3.27Å
187	I	97	Very high	93.4	Very high	89 Å²	89	44.4 Å²	44.4	46%	0.456	23%	0.225	S	C	.	.	H	α-helix	trans	-61.3	-45.1	176.7	-67.3	166	0	0	0	110.4	L13 G183 L184 G189 V190 M191	L13-I187 HydrophobicContact CD1-CG2 4.32Å; G183-I187 WeakPolarHBondContact O-CB 3.21Å; G183-I187 VanDerWaalsContact O-CG1 3.26Å; G183-I187 WeakPolarHBondContact O-CG1 3.35Å; G183-I187 PolarHBondContact O-N 3.03Å; L184-I187 PolarHBondContact O-N 3.39Å; I187-G189 VanDerWaalsContact C-N 3.34Å; I187-G189 PolarHBondContact O-N 2.89Å; I187-V190 PolarHBondContact O-N 2.85Å; I187-M191 HydrophobicContact CG2-CG 4.38Å; I187-M191 HydrophobicContact CG2-SD 4.11Å; I187-M191 WeakPolarHBondContact O-CB 3.38Å; I187-M191 WeakPolarHBondContact O-CG 3.12Å; I187-M191 PolarHBondContact O-N 2.68Å
188	G	95.6	Very high	92.1	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-58.9	-42.9	175.7	0	0	0	0	0	112.6	L184 T185 L186 M191 M192	L184-G188 PolarHBondContact O-N 3.43Å; T185-G188 PolarHBondContact O-N 3.28Å; L186-G188 PolarHBondContact O-N 3Å; G188-M191 PolarHBondContact O-N 3.02Å; G188-M192 PolarHBondContact O-N 3.49Å
189	G	95.3	Very high	90.7	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-62.6	-45.4	174.7	0	0	0	0	0	113.4	T185 L186 I187 M192 C193	T185-G189 PolarHBondContact O-N 3.45Å; L186-G189 PolarHBondContact O-N 2.76Å; I187-G189 VanDerWaalsContact C-N 3.34Å; I187-G189 PolarHBondContact O-N 2.89Å; G189-M192 WeakPolarHBondContact O-CB 3.47Å; G189-M192 PolarHBondContact O-N 2.92Å; G189-C193 PolarHBondContact O-N 3.21Å; G189-C193 PolarHBondContact O-SG 3.41Å; G189-C193 VanDerWaalsContact O-SG 3.33Å
190	V	95.4	Very high	89	Confident	58 Å²	58	42.5 Å²	42.5	35%	0.352	24%	0.239	S	C	.	.	H	α-helix	trans	-62.5	-44.6	176.2	173.3	0	0	0	0	111.1	I126 L186 I187 M192 C193 I194	I126-V190 HydrophobicContact CD1-CG2 3.99Å; I126-V190 HydrophobicContact CG1-CG2 4.09Å; L186-V190 HydrophobicContact CD2-CG2 4.16Å; L186-V190 WeakPolarHBondContact O-CG2 3.21Å; L186-V190 PolarHBondContact O-N 3.27Å; I187-V190 PolarHBondContact O-N 2.85Å; V190-M192 VanDerWaalsContact C-N 3.32Å; V190-M192 PolarHBondContact O-N 2.96Å; V190-C193 WeakPolarHBondContact O-CB 3.45Å; V190-C193 PolarHBondContact O-N 3.33Å; V190-I194 HydrophobicContact CG1-CD1 3.9Å; V190-I194 WeakPolarHBondContact O-CG1 3Å; V190-I194 PolarHBondContact O-N 3.07Å
191	M	93.3	Very high	86.8	Confident	47 Å²	47	43 Å²	43	23%	0.232	24%	0.244	C	C	.	.	H	α-helix	trans	-62.3	-38.2	176.4	-72.7	-176.4	63.3	0	0	112.1	V9 A10 L13 I187 G188 I194 A195	V9-M191 HydrophobicContact CB-CE 4.2Å; V9-M191 HydrophobicContact CG1-CE 3.81Å; A10-M191 HydrophobicContact CB-CB 3.63Å; L13-M191 HydrophobicContact CD1-SD 3.73Å; I187-M191 HydrophobicContact CG2-CG 4.38Å; I187-M191 HydrophobicContact CG2-SD 4.11Å; I187-M191 WeakPolarHBondContact O-CB 3.38Å; I187-M191 WeakPolarHBondContact O-CG 3.12Å; I187-M191 PolarHBondContact O-N 2.68Å; G188-M191 PolarHBondContact O-N 3.02Å; M191-I194 PolarHBondContact O-N 3.13Å; M191-A195 WeakPolarHBondContact O-CB 3.32Å; M191-A195 PolarHBondContact O-N 2.96Å
192	M	92.1	Very high	84.6	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-62	-43.6	172.7	-86.9	-131.7	167.6	0	0	112.4	A10 F11 T118 S121 G188 G189 V190 I194 A195 C196	A10-M192 HydrophobicContact CB-CB 4.46Å; A10-M192 HydrophobicContact CB-CG 3.68Å; F11-M192 HydrophobicContact CB-CE 3.86Å; F11-M192 HydrophobicContact CD2-CE 4.24Å; T118-M192 HydrophobicContact CG2-SD 4.2Å; S121-M192 PolarHBondContact OG-SD 3.36Å; S121-M192 VanDerWaalsContact OG-SD 3.35Å; G188-M192 PolarHBondContact O-N 3.49Å; G189-M192 WeakPolarHBondContact O-CB 3.47Å; G189-M192 PolarHBondContact O-N 2.92Å; V190-M192 VanDerWaalsContact C-N 3.32Å; V190-M192 PolarHBondContact O-N 2.96Å; M192-I194 VanDerWaalsContact C-N 3.32Å; M192-I194 PolarHBondContact O-N 3.1Å; M192-A195 PolarHBondContact O-N 3.01Å; M192-C196 PolarHBondContact O-N 2.77Å
193	C	91.4	Very high	82.3	Confident	24 Å²	24	58.7 Å²	58.7	16%	0.162	32%	0.317	C	S	.	.	H	α-helix	trans	-61.2	-40.4	175.5	-67.6	0	0	0	0	112	G189 V190 C196 R197	G189-C193 PolarHBondContact O-N 3.21Å; G189-C193 PolarHBondContact O-SG 3.41Å; G189-C193 VanDerWaalsContact O-SG 3.33Å; V190-C193 WeakPolarHBondContact O-CB 3.45Å; V190-C193 PolarHBondContact O-N 3.33Å; C193-C196 WeakPolarHBondContact O-CB 3.19Å; C193-C196 PolarHBondContact O-N 2.97Å; C193-R197 PolarHBondContact O-N 3.38Å
194	I	89.8	Confident	79.7	Confident	104 Å²	104	61.7 Å²	61.7	53%	0.533	33%	0.331	S	S	.	.	H	α-helix	trans	-68	-42.8	176.6	-64.6	166.2	0	0	0	110.8	V190 M191 M192 C196 R197 G198	V190-I194 HydrophobicContact CG1-CD1 3.9Å; V190-I194 WeakPolarHBondContact O-CG1 3Å; V190-I194 PolarHBondContact O-N 3.07Å; M191-I194 PolarHBondContact O-N 3.13Å; M192-I194 VanDerWaalsContact C-N 3.32Å; M192-I194 PolarHBondContact O-N 3.1Å; I194-C196 VanDerWaalsContact C-N 3.25Å; I194-C196 PolarHBondContact O-N 3.16Å; I194-R197 PolarHBondContact O-N 2.91Å; I194-R197 VanDerWaalsContact O-N 3.08Å; I194-G198 PolarHBondContact O-N 3.47Å
195	A	86.6	Confident	77	Confident	3 Å²	3	66.2 Å²	66.2	3%	0.025	36%	0.356	C	S	.	.	H	α-helix	trans	-58.8	-38.4	176.5	0	0	0	0	0	111.5	Q7 M191 M192 R197 G198 L199	Q7-A195 HydrophobicContact CB-CB 4.24Å; M191-A195 WeakPolarHBondContact O-CB 3.32Å; M191-A195 PolarHBondContact O-N 2.96Å; M192-A195 PolarHBondContact O-N 3.01Å; A195-R197 VanDerWaalsContact C-N 3.33Å; A195-R197 PolarHBondContact O-N 2.98Å; A195-G198 PolarHBondContact O-N 2.89Å; A195-G198 VanDerWaalsContact O-N 3.14Å; A195-L199 WeakPolarHBondContact O-CD1 3.2Å; A195-L199 PolarHBondContact O-N 2.94Å
196	C	81.4	Confident	74.3	Confident	11 Å²	11	74.9 Å²	74.9	7%	0.074	39%	0.39	C	S	.	.	H	α-helix	trans	-58.5	-39.6	174.3	-175.5	0	0	0	0	113.1	A115 T118 L119 M192 C193 I194 G198 L199 A200	A115-C196 PolarHBondContact O-SG 3.42Å; T118-C196 HydrophobicContact CG2-CB 4.26Å; L119-C196 HydrophobicContact CB-CB 4.33Å; M192-C196 PolarHBondContact O-N 2.77Å; C193-C196 WeakPolarHBondContact O-CB 3.19Å; C193-C196 PolarHBondContact O-N 2.97Å; I194-C196 VanDerWaalsContact C-N 3.25Å; I194-C196 PolarHBondContact O-N 3.16Å; C196-G198 PolarHBondContact O-N 3.34Å; C196-L199 CarbonylContact O-C 3.56Å; C196-L199 WeakPolarHBondContact O-CA 3.25Å; C196-L199 WeakPolarHBondContact O-CB 3.49Å; C196-L199 PolarHBondContact O-N 2.76Å; C196-A200 PolarHBondContact O-N 3.1Å
197	R	76.5	Confident	71.7	Confident	217 Å²	217	81.8 Å²	81.8	82%	0.819	42%	0.417	S	S	*	.	H	α-helix	trans	-65.7	-28	178.5	-60.8	-178.1	92.7	158.8	6	112.5	C193 I194 A195 L199	C193-R197 PolarHBondContact O-N 3.38Å; I194-R197 PolarHBondContact O-N 2.91Å; I194-R197 VanDerWaalsContact O-N 3.08Å; A195-R197 VanDerWaalsContact C-N 3.33Å; A195-R197 PolarHBondContact O-N 2.98Å; R197-L199 VanDerWaalsContact C-N 3.34Å
198	G	68.1	Low	69.5	Low	47 Å²	47	81 Å²	81	49%	0.485	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	-5.8	171.3	0	0	0	0	0	114.4	I194 A195 C196	I194-G198 PolarHBondContact O-N 3.47Å; A195-G198 PolarHBondContact O-N 2.89Å; A195-G198 VanDerWaalsContact O-N 3.14Å; C196-G198 PolarHBondContact O-N 3.34Å
199	L	65.5	Low	67.6	Low	24 Å²	24	86.9 Å²	86.9	13%	0.126	46%	0.46	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.7	-25.9	174.8	-94.2	80.4	0	0	0	112.8	A115 A195 C196 R197	A115-L199 HydrophobicContact CB-CB 4.48Å; A195-L199 WeakPolarHBondContact O-CD1 3.2Å; A195-L199 PolarHBondContact O-N 2.94Å; C196-L199 CarbonylContact O-C 3.56Å; C196-L199 WeakPolarHBondContact O-CA 3.25Å; C196-L199 WeakPolarHBondContact O-CB 3.49Å; C196-L199 PolarHBondContact O-N 2.76Å; R197-L199 VanDerWaalsContact C-N 3.34Å
200	A	60.3	Low	65.5	Low	51 Å²	51	91.6 Å²	91.6	42%	0.421	49%	0.493	S	S	.	.	S	Bend	trans	-58.4	126.2	173.8	0	0	0	0	0	108.3	C196 E202	C196-A200 PolarHBondContact O-N 3.1Å; A200-E202 PolarHBondContact O-N 3.25Å; A200-E202 VanDerWaalsContact O-N 3.16Å
201	P	53.1	Low	63.2	Low	102 Å²	102	99 Å²	99	66%	0.662	52%	0.516	S	S	*	.			trans	-57.3	126	169.6	24.8	-30.4	0	0	0	106.4	E203	P201-E203 PolarHBondContact O-N 3.44Å
202	E	50.1	Low	61.1	Low	160 Å²	160	105 Å²	105	75%	0.748	54%	0.543	S	S	*	.			trans	-51.4	115.5	166.5	-169.6	171.2	126	0	0	105.8	A200 T204	A200-E202 PolarHBondContact O-N 3.25Å; A200-E202 VanDerWaalsContact O-N 3.16Å; E202-T204 HydrophobicContact CB-CG2 4.41Å; E202-T204 HydrophobicContact CG-CG2 4.04Å; E202-T204 PolarHBondContact O-N 2.92Å
203	E	47	Very low	58.9	Low	173 Å²	173	108.7 Å²	108.7	81%	0.808	57%	0.573	S	S	*	*			trans	-65.2	74.1	160.5	-76.8	-138.9	167.7	0	0	106.5	P201 N205	P201-E203 PolarHBondContact O-N 3.44Å; E203-N205 PolarHBondContact O-N 3.2Å
204	T	42.7	Very low	56.8	Low	84 Å²	84	112.7 Å²	112.7	52%	0.515	60%	0.602	S	S	.	*			trans	-55.6	106.7	152	49.3	0	0	0	0	103.5	E202 Y206	E202-T204 HydrophobicContact CB-CG2 4.41Å; E202-T204 HydrophobicContact CG-CG2 4.04Å; E202-T204 PolarHBondContact O-N 2.92Å; T204-Y206 PolarHBondContact O-N 2.58Å
205	N	42.2	Very low	54.8	Low	150 Å²	150	111.3 Å²	111.3	80%	0.802	61%	0.613	S	S	*	*			trans	-58.2	68.7	154.7	-90.1	-103.8	0	0	0	106.6	E203 K207	E203-N205 PolarHBondContact O-N 3.2Å; N205-K207 VanDerWaalsContact C-N 3.25Å; N205-K207 PolarHBondContact O-N 3.02Å
206	Y	40.7	Very low	52.8	Low	182 Å²	182	119.4 Å²	119.4	71%	0.714	65%	0.65	S	S	*	*			trans	-68.6	101	162.3	84.4	-83.7	0	0	0	103.1	T204 A208	T204-Y206 PolarHBondContact O-N 2.58Å; Y206-A208 VanDerWaalsContact C-N 3.27Å; Y206-A208 HydrophobicContact CD2-CB 4.19Å; Y206-A208 HydrophobicContact CE2-CB 3.74Å; Y206-A208 PolarHBondContact O-N 3.14Å
207	K	42.5	Very low	51	Low	191 Å²	191	124.3 Å²	124.3	83%	0.83	69%	0.685	S	S	*	*			trans	-49.6	110.5	150.6	-84.1	-177.1	174.1	178.4	0	104.1	N205 V209	N205-K207 VanDerWaalsContact C-N 3.25Å; N205-K207 PolarHBondContact O-N 3.02Å; K207-V209 PolarHBondContact O-N 3.5Å
208	A	49.2	Very low	49.5	Very low	73 Å²	73	120.2 Å²	120.2	60%	0.603	68%	0.684	S	S	*	*			trans	-57.8	93.6	165.4	0	0	0	0	0	105.8	Y206 S210	Y206-A208 VanDerWaalsContact C-N 3.27Å; Y206-A208 HydrophobicContact CD2-CB 4.19Å; Y206-A208 HydrophobicContact CE2-CB 3.74Å; Y206-A208 PolarHBondContact O-N 3.14Å; A208-S210 PolarHBondContact O-N 2.8Å
209	V	56.3	Low	48.2	Very low	123 Å²	123	122.5 Å²	122.5	75%	0.745	70%	0.698	S	S	*	*			trans	-70.1	96.9	167	-177	0	0	0	0	103.5	K207 Y211	K207-V209 PolarHBondContact O-N 3.5Å; V209-Y211 PolarHBondContact O-N 2.85Å
210	S	51.4	Low	46.7	Very low	99 Å²	99	131.4 Å²	131.4	69%	0.692	73%	0.731	S	S	*	*			trans	-56	104.3	167.5	52.5	0	0	0	0	107	A208 H212	A208-S210 PolarHBondContact O-N 2.8Å; S210-H212 VanDerWaalsContact C-N 3.3Å; S210-H212 PolarHBondContact O-N 3.28Å
211	Y	47.1	Very low	45.6	Very low	214 Å²	214	138.4 Å²	138.4	84%	0.839	75%	0.752	S	S	*	*			trans	-69.8	94.3	172.9	-142.7	-89.2	0	0	0	106.7	V209 A213	V209-Y211 PolarHBondContact O-N 2.85Å; Y211-A213 VanDerWaalsContact C-N 3.33Å; Y211-A213 PolarHBondContact O-N 2.79Å
212	H	49.8	Very low	44.8	Very low	174 Å²	174	138.4 Å²	138.4	81%	0.806	75%	0.752	S	S	*	*			trans	-71.2	98	164.9	-123.1	-80.3	0	0	0	106	S210 S214	S210-H212 VanDerWaalsContact C-N 3.3Å; S210-H212 PolarHBondContact O-N 3.28Å; H212-S214 PolarHBondContact O-N 3.11Å
213	A	45	Very low	44	Very low	76 Å²	76	134.3 Å²	134.3	63%	0.628	75%	0.753	S	S	*	*			trans	-62.4	111.3	166.6	0	0	0	0	0	107.1	Y211 G215	Y211-A213 VanDerWaalsContact C-N 3.33Å; Y211-A213 PolarHBondContact O-N 2.79Å; A213-G215 VanDerWaalsContact C-N 3.33Å; A213-G215 PolarHBondContact O-N 3.47Å
214	S	47.6	Very low	43.4	Very low	108 Å²	108	130.1 Å²	130.1	76%	0.755	76%	0.756	S	S	*	*			trans	-62.1	99.1	166.5	31.5	0	0	0	0	107.3	H212 H216	H212-S214 PolarHBondContact O-N 3.11Å; S214-H216 VanDerWaalsContact C-N 3.32Å; S214-H216 PolarHBondContact O-N 3.07Å
215	G	47.3	Very low	42.8	Very low	76 Å²	76	135.7 Å²	135.7	78%	0.784	77%	0.774	S	S	*	*			trans	-64.1	90.4	178.3	0	0	0	0	0	110.5	A213 S217	A213-G215 VanDerWaalsContact C-N 3.33Å; A213-G215 PolarHBondContact O-N 3.47Å; G215-S217 PolarHBondContact O-N 3.27Å; G215-S217 VanDerWaalsContact O-N 3.1Å
216	H	45.7	Very low	42.4	Very low	173 Å²	173	138.3 Å²	138.3	80%	0.801	78%	0.778	S	S	*	*			trans	-70.4	98.9	160.4	-107.8	-77.5	0	0	0	107.6	S214 V218	S214-H216 VanDerWaalsContact C-N 3.32Å; S214-H216 PolarHBondContact O-N 3.07Å; H216-V218 PolarHBondContact O-N 3.24Å
217	S	43.3	Very low	41.9	Very low	114 Å²	114	134.3 Å²	134.3	80%	0.797	78%	0.782	S	S	*	*			trans	-68.7	93.2	169.2	52.8	0	0	0	0	109.1	G215 A219	G215-S217 PolarHBondContact O-N 3.27Å; G215-S217 VanDerWaalsContact O-N 3.1Å; S217-A219 PolarHBondContact O-N 3.28Å
218	V	44.1	Very low	41.3	Very low	131 Å²	131	130.2 Å²	130.2	79%	0.794	78%	0.778	S	S	*	*			trans	-74	105.9	166.6	179.8	0	0	0	0	107.2	H216 Y220	H216-V218 PolarHBondContact O-N 3.24Å; V218-Y220 PolarHBondContact O-N 3.1Å; V218-Y220 VanDerWaalsContact O-N 3.09Å
219	A	40.6	Very low	40.4	Very low	95 Å²	95	133.3 Å²	133.3	79%	0.785	79%	0.789	S	S	*	*			trans	-67.4	103.6	175.4	0	0	0	0	0	110	S217 K221	S217-A219 PolarHBondContact O-N 3.28Å; A219-K221 PolarHBondContact O-N 3.01Å
220	Y	34	Very low	39	Very low	210 Å²	210	131 Å²	131	82%	0.824	79%	0.79	S	S	*	*			trans	-72.2	119	167.9	-173.9	-96.1	0	0	0	108.9	V218 P222	V218-Y220 PolarHBondContact O-N 3.1Å; V218-Y220 VanDerWaalsContact O-N 3.09Å; Y220-P222 HydrophobicContact CE1-CB 4.33Å; Y220-P222 VanDerWaalsContact O-CD 3.25Å; Y220-P222 WeakPolarHBondContact O-CD 3.28Å
221	K	38.2	Very low	37.9	Very low	199 Å²	199	136.6 Å²	136.6	87%	0.865	80%	0.803	S	S	*	*			trans	-99.2	102.2	-179.3	-152.6	-176	-168.6	-177.2	0	108.5	A219 G223	A219-K221 PolarHBondContact O-N 3.01Å; K221-G223 PolarHBondContact O-N 3.42Å
222	P	36.3	Very low	37	Very low	101 Å²	101	129.4 Å²	129.4	66%	0.656	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-75.2	128.6	171.7	28.4	-29.8	0	0	0	109.6	Y220	Y220-P222 HydrophobicContact CE1-CB 4.33Å; Y220-P222 VanDerWaalsContact O-CD 3.25Å; Y220-P222 WeakPolarHBondContact O-CD 3.28Å
223	G	33.4	Very low	36	Very low	74 Å²	74	126.3 Å²	126.3	76%	0.763	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-60.7	148.3	174.5	0	0	0	0	0	112.1	K221	K221-G223 PolarHBondContact O-N 3.42Å
224	G	33.5	Very low	35.2	Very low	85 Å²	85	129.9 Å²	129.9	88%	0.876	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-68	143.2	-165.8	0	0	0	0	0	115.6
225	F	30.1	Very low	34.4	Very low	202 Å²	202	128.9 Å²	128.9	89%	0.886	79%	0.789	S	S	*	*			trans	-131.8	122.5	156.6	-161.4	-98.1	0	0	0	108
226	K	35.1	Very low	33.6	Very low	205 Å²	205	133.8 Å²	133.8	89%	0.891	79%	0.789	S	S	*	*			trans	-83.2	130.4	176.5	-80.4	-172.7	177.2	-176.5	0	109.6
227	A	30.3	Very low	32.8	Very low	97 Å²	97	131.8 Å²	131.8	80%	0.802	78%	0.784	S	S	*	*			trans	-150.3	142.3	148.4	0	0	0	0	0	110.3
228	S	29.6	Very low	32.2	Very low	106 Å²	106	134.8 Å²	134.8	74%	0.741	78%	0.783	S	S	*	*			trans	-89.2	169.4	-162.9	-172.4	0	0	0	0	113.4
229	T	28.8	Very low	31.6	Very low	138 Å²	138	137.4 Å²	137.4	85%	0.847	78%	0.784	S	S	*	*			trans	89.7	119.2	158.7	66.6	0	0	0	0	119.9
230	G	28.6	Very low	31	Very low	74 Å²	74	137.8 Å²	137.8	76%	0.763	78%	0.776	S	S	*	*				109.8	119	123.1	0	0	0	0	0	118.3
231	F	28.5	Very low	30.9	Very low	217 Å²	217	138.2 Å²	138.2	95%	0.952	78%	0.778	S	S	*	*			trans	83.3	117.8	151.3	-112.3	-98.9	0	0	0	119.6
232	G	28.5	Very low	30.5	Very low	62 Å²	62	135.9 Å²	135.9	64%	0.639	78%	0.775	S	S	*	*			trans	-92.8	170.7	176.6	0	0	0	0	0	114.2
233	S	28	Very low	30.4	Very low	110 Å²	110	134.7 Å²	134.7	77%	0.769	78%	0.781	S	S	*	*				164.4	138.9	122.4	55.9	0	0	0	0	110.1
234	N	28.6	Very low	30.2	Very low	151 Å²	151	134.9 Å²	134.9	81%	0.807	78%	0.783	S	S	*	*			trans	46	145.4	138.6	-73.8	-20	0	0	0	120.7
235	T	30.2	Very low	30.2	Very low	87 Å²	87	135.1 Å²	135.1	53%	0.534	78%	0.777	S	S	.	*			cis	161.9	148	0.4	-88.5	0	0	0	0	104.7
236	K	29.4	Very low	30.2	Very low	178 Å²	178	134.2 Å²	134.2	77%	0.774	78%	0.775	S	S	*	*			trans	69.5	145.1	159.8	-76.9	162.1	-158.5	175.1	0	115.9
237	N	30.8	Very low	30.1	Very low	132 Å²	132	129.6 Å²	129.6	71%	0.706	76%	0.764	S	S	*	*			cis	-160.2	130	9.8	-107.3	-29.4	0	0	0	105.5
238	K	30.7	Very low	30.2	Very low	177 Å²	177	133.3 Å²	133.3	77%	0.77	77%	0.765	S	S	*	*				57.8	109	88.8	-162.8	176	-173.5	176	0	114.2
239	K	31	Very low	30.2	Very low	185 Å²	185	135.4 Å²	135.4	80%	0.804	77%	0.767	S	S	*	*				-167.6	96.6	119.8	-102.8	175.5	-175	-175.6	0	111.9
240	T	27.7	Very low	30.3	Very low	103 Å²	103	136.8 Å²	136.8	63%	0.632	77%	0.765	S	S	*	*			trans	-51	137.3	150.1	-46.9	0	0	0	0	111	D242	T240-D242 HydrophobicContact CG2-CB 4.41Å
241	Y	30.7	Very low	30.5	Very low	220 Å²	220	140.1 Å²	140.1	86%	0.863	76%	0.764	S	S	*	*			trans	-127.2	104.1	147.1	-94.8	-84.2	0	0	0	107.1
242	D	31.6	Very low	30.6	Very low	150 Å²	150	138 Å²	138	80%	0.802	76%	0.757	S	S	*	*			trans	-85.9	147.1	164.6	-105.7	-46.6	0	0	0	108.8	T240	T240-D242 HydrophobicContact CG2-CB 4.41Å
243	G	32.6	Very low	30.8	Very low	76 Å²	76	140.2 Å²	140.2	78%	0.784	76%	0.763	S	S	*	*			trans	-164.6	79.8	169.8	0	0	0	0	0	109.6
244	G	30.3	Very low	31.1	Very low	77 Å²	77	145.5 Å²	145.5	79%	0.794	77%	0.768	S	S	*	*			trans	-70.4	-169	165.6	0	0	0	0	0	111.5
245	A	32.2	Very low	31.8	Very low	91 Å²	91	143.9 Å²	143.9	75%	0.752	77%	0.765	S	S	*	*			cis	-166.2	149	-10.7	0	0	0	0	0	104.1
246	H	31.6	Very low	32.1	Very low	182 Å²	182	144.4 Å²	144.4	84%	0.843	77%	0.772	S	S	*	*			trans	-168.1	102.9	151.1	-103.2	-60.5	0	0	0	108.5
247	T	32	Very low	32.5	Very low	109 Å²	109	144.5 Å²	144.5	67%	0.669	77%	0.773	S	S	*	*				59.4	94.3	100.6	-19.2	0	0	0	0	112.2
248	E	33.4	Very low	33	Very low	174 Å²	174	145.1 Å²	145.1	81%	0.813	77%	0.771	S	S	*	*				74.7	147.3	86.1	-79	-170.6	128	0	0	115.5
249	D	29.3	Very low	33.3	Very low	150 Å²	150	142.9 Å²	142.9	80%	0.802	77%	0.767	S	S	*	*			trans	89.5	126.1	-179.7	-50.8	-26.5	0	0	0	115.8
250	E	31.3	Very low	33.9	Very low	168 Å²	168	144.5 Å²	144.5	79%	0.785	77%	0.77	S	S	*	*			cis	-163.1	141.5	3	-136	-173.4	107.5	0	0	108.7
251	L	31.9	Very low	34.8	Very low	143 Å²	143	150 Å²	150	75%	0.749	80%	0.803	S	S	*	*			trans	26.3	124.6	142.5	-131.6	79.2	0	0	0	121.4
252	Q	31.4	Very low	35	Very low	172 Å²	172	146.6 Å²	146.6	80%	0.804	80%	0.8	S	S	*	*				-171.5	105.7	119.3	-147.7	86.8	-33.5	0	0	112.7
253	S	31.3	Very low	35.2	Very low	109 Å²	109	146.4 Å²	146.4	76%	0.762	80%	0.8	S	S	*	*			trans	47.4	107.6	135.4	-142.4	0	0	0	0	121.9
254	Y	34.2	Very low	35.4	Very low	222 Å²	222	150.3 Å²	150.3	87%	0.871	80%	0.801	S	S	*	*			trans	-64.1	156.6	143.7	-86.3	-87	0	0	0	109.9
255	P	44	Very low	35.7	Very low	117 Å²	117	154.6 Å²	154.6	76%	0.76	80%	0.802	S	S	*	*				-156.8	171	77.7	39.7	-17.5	0	0	0	119.3
256	S	35.7	Very low	35.9	Very low	97 Å²	97	158.6 Å²	158.6	68%	0.678	81%	0.805	S	S	*	*			trans	67.8	116.5	146	-157.8	0	0	0	0	118.7
257	K	38.2	Very low	36.2	Very low	181 Å²	181	157 Å²	157	79%	0.787	80%	0.802	S	S	*	*				61.9	131.1	61.5	-148.9	-173.9	-169.8	-169.4	0	113.9
258	H	41.4	Very low	36.5	Very low	144 Å²	144	160.4 Å²	160.4	67%	0.667	81%	0.812	S	S	*	*			trans	102.5	138.4	179.3	-63.9	-58.1	0	0	0	114.4
259	D	37.7	Very low	36.7	Very low	130 Å²	130	159.4 Å²	159.4	70%	0.695	81%	0.812	S	S	*	*			cis	-163.3	163.6	-0.6	-109	-23	0	0	0	109.9
260	Y	42.8	Very low	37.3	Very low	219 Å²	219	160.2 Å²	160.2	86%	0.859	81%	0.812	S	S	*	*			trans	-64.5	135.1	168.7	-59.1	-98.1	0	0	0	112.1
261	V	47.8	Very low	37.9	Very low	220 Å²	220	159.5 Å²	159.5	100%	1.333	82%	0.815	S	S	*	*			trans	-146.6	0	138.4	-176.7	0	0	0	0	108

Retrieved 261 of 261 residues in 68.2 ms (Link to these results)

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