A0A077ZMW4_TRITR Loading...

DUF1758 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZMW4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 216 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	42.7	Very low	73.8	Confident	236 Å²	236	119.2 Å²	119.2	100%	1.163	58%	0.577	S	S	*	*				0	120	0	-76.9	176	171.4	0	0	108	R3	M1-R3 PolarHBondContact O-N 3.48Å; M1-R3 VanDerWaalsContact O-N 3.12Å
2	R	45.5	Very low	75	Confident	225 Å²	225	114.8 Å²	114.8	85%	0.849	56%	0.563	S	S	*	*			trans	-60.8	118.4	175.2	-80.6	-176.1	177.9	-175.1	-0.6	107.9	E4	R2-E4 HydrophobicContact CB-CG 4.26Å; R2-E4 PolarHBondContact O-N 3.13Å
3	R	52.9	Low	75.9	Confident	215 Å²	215	110.4 Å²	110.4	81%	0.811	54%	0.54	S	S	*	.			trans	-81.8	75.1	-178.8	-106.2	-172.6	-163.1	-168.1	6.2	106.8	M1 T12	M1-R3 PolarHBondContact O-N 3.48Å; M1-R3 VanDerWaalsContact O-N 3.12Å; R3-T12 HydrophobicContact CB-CG2 3.31Å; R3-T12 HydrophobicContact CG-CG2 3.51Å
4	E	65.4	Low	76.8	Confident	137 Å²	137	107.9 Å²	107.9	64%	0.64	54%	0.537	S	S	*	.	P	Polyproline II helix	trans	-72.2	130	-179.3	-72.5	173.7	-176	0	0	109.7	R2	R2-E4 HydrophobicContact CB-CG 4.26Å; R2-E4 PolarHBondContact O-N 3.13Å
5	T	82.6	Confident	77.8	Confident	86 Å²	86	101.4 Å²	101.4	53%	0.528	51%	0.505	S	S	.	.	P	Polyproline II helix	trans	-69.8	135.7	168.7	46	0	0	0	0	108.4	G10 K11 T12	T5-G10 WeakPolarHBondContact CG2-O 3.43Å; T5-K11 WeakPolarHBondContact CA-O 3.44Å; T5-T12 VanDerWaalsContact CG2-OG1 3.23Å; T5-T12 WeakPolarHBondContact CG2-OG1 3.4Å
6	H	83.8	Confident	78.5	Confident	18 Å²	18	97.6 Å²	97.6	8%	0.083	49%	0.491	C	S	.	.	P	Polyproline II helix	trans	-96.6	152.7	175.2	68.7	65.1	0	0	0	111	V8 C9 G10 K11 H13 V15 C18	H6-V8 VanDerWaalsContact C-N 3.25Å; H6-V8 WeakPolarHBondContact ND1-CB 3.47Å; H6-V8 PolarHBondContact ND1-N 2.86Å; H6-V8 VanDerWaalsContact ND1-N 3.18Å; H6-V8 PolarHBondContact O-N 3.25Å; H6-C9 PolarHBondContact CE1-N 2.92Å; H6-C9 PolarHBondContact CE1-SG 3.36Å; H6-C9 PolarHBondContact ND1-N 3.23Å; H6-G10 WeakPolarHBondContact O-CA 3.4Å; H6-G10 PolarHBondContact O-N 2.78Å; H6-K11 PolarHBondContact N-O 2.76Å; H6-H13 AromaticContact CD2-CE1 3.98Å; H6-H13 PolarHBondContact CD2-O 3.09Å; H6-H13 VanDerWaalsContact CD2-O 3.27Å; H6-H13 AromaticContact CE1-CE1 3.95Å; H6-H13 AromaticContact NE2-CE1 3.03Å; H6-H13 PolarHBondContact NE2-CE1 3.05Å; H6-H13 AromaticContact NE2-ND1 3.45Å; H6-H13 PolarHBondContact NE2-ND1 3.19Å; H6-H13 AromaticContact NE2-NE2 3.94Å; H6-V15 HydrophobicContact CB-CG2 3.66Å; H6-C18 PolarHBondContact CE1-SG 3.5Å
7	L	86.5	Confident	79	Confident	145 Å²	145	99 Å²	99	76%	0.759	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-15.4	-174.1	-63.5	175.4	0	0	0	114.5	T36	L7-T36 HydrophobicContact CB-CG2 3.66Å; L7-T36 HydrophobicContact CD1-CG2 4.29Å
8	V	87.3	Confident	79.5	Confident	27 Å²	27	93.5 Å²	93.5	16%	0.164	47%	0.472	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-40.5	-178.9	-172.3	0	0	0	0	113.6	H6 V15 T20 F21 L38	H6-V8 VanDerWaalsContact C-N 3.25Å; H6-V8 WeakPolarHBondContact ND1-CB 3.47Å; H6-V8 PolarHBondContact ND1-N 2.86Å; H6-V8 VanDerWaalsContact ND1-N 3.18Å; H6-V8 PolarHBondContact O-N 3.25Å; V8-V15 HydrophobicContact CG2-CG1 4.45Å; V8-T20 HydrophobicContact CG1-CG2 4.44Å; V8-F21 HydrophobicContact CG1-CB 3.9Å; V8-F21 HydrophobicContact CG1-CD2 4.02Å; V8-F21 HydrophobicContact CG1-CG 4.46Å; V8-F21 HydrophobicContact CG2-CD2 4.07Å; V8-L38 HydrophobicContact CG2-CD1 4.31Å
9	C	89.2	Confident	79.8	Confident	35 Å²	35	93.4 Å²	93.4	24%	0.236	48%	0.479	C	S	.	.	T	Hydrogen-bonded Turn	trans	-134.1	0.6	178.6	75.9	0	0	0	0	114	H6 K11 C18 T20	H6-C9 PolarHBondContact CE1-N 2.92Å; H6-C9 PolarHBondContact CE1-SG 3.36Å; H6-C9 PolarHBondContact ND1-N 3.23Å; C9-K11 PolarHBondContact O-N 3.3Å; C9-K11 VanDerWaalsContact SG-CB 3.59Å; C9-C18 VanDerWaalsContact SG-SG 3.68Å; C9-T20 HydrophobicContact CB-CG2 4.23Å; C9-T20 WeakPolarHBondContact CB-OG1 3.43Å
10	G	87.2	Confident	80.2	Confident	51 Å²	51	92.3 Å²	92.3	53%	0.526	48%	0.476	S	S	.	.	S	Bend	trans	71.2	4	-178.9	0	0	0	0	0	115.1	T5 H6	T5-G10 WeakPolarHBondContact CG2-O 3.43Å; H6-G10 WeakPolarHBondContact O-CA 3.4Å; H6-G10 PolarHBondContact O-N 2.78Å
11	K	88.2	Confident	80.7	Confident	136 Å²	136	87.9 Å²	87.9	59%	0.591	45%	0.453	S	S	*	.	S	Bend	trans	-99.6	165.9	-179.2	-57.7	-178.8	-178	179.4	0	112.2	T5 H6 C9	T5-K11 WeakPolarHBondContact CA-O 3.44Å; H6-K11 PolarHBondContact N-O 2.76Å; C9-K11 PolarHBondContact O-N 3.3Å; C9-K11 VanDerWaalsContact SG-CB 3.59Å
12	T	88.3	Confident	82.8	Confident	66 Å²	66	79.3 Å²	79.3	41%	0.405	41%	0.412	S	S	.	.	S	Bend	trans	-98.5	90.2	-176.6	-55.9	0	0	0	0	111.5	R3 T5	R3-T12 HydrophobicContact CB-CG2 3.31Å; R3-T12 HydrophobicContact CG-CG2 3.51Å; T5-T12 VanDerWaalsContact CG2-OG1 3.23Å; T5-T12 WeakPolarHBondContact CG2-OG1 3.4Å
13	H	86.7	Confident	84.7	Confident	58 Å²	58	72.8 Å²	72.8	27%	0.269	41%	0.406	S	S	.	.	S	Bend	trans	-162	168.4	167.5	51.5	68.4	0	0	0	108.8	H6 C18	H6-H13 AromaticContact CD2-CE1 3.98Å; H6-H13 PolarHBondContact CD2-O 3.09Å; H6-H13 VanDerWaalsContact CD2-O 3.27Å; H6-H13 AromaticContact CE1-CE1 3.95Å; H6-H13 AromaticContact NE2-CE1 3.03Å; H6-H13 PolarHBondContact NE2-CE1 3.05Å; H6-H13 AromaticContact NE2-ND1 3.45Å; H6-H13 PolarHBondContact NE2-ND1 3.19Å; H6-H13 AromaticContact NE2-NE2 3.94Å; H13-C18 WeakPolarHBondContact CE1-CA 3.42Å; H13-C18 WeakPolarHBondContact CE1-CB 3.41Å
14	P	89	Confident	86.3	Confident	76 Å²	76	63.9 Å²	63.9	49%	0.494	38%	0.375	S	S	.	.			trans	-58.2	143	170.8	-24	35.4	0	0	0	111.7	S16 L17 C18	P14-S16 PolarHBondContact O-N 2.65Å; P14-L17 HydrophobicContact CG-CD1 4.5Å; P14-L17 PolarHBondContact O-N 2.86Å; P14-L17 VanDerWaalsContact O-N 3.09Å; P14-C18 PolarHBondContact O-N 2.81Å
15	V	91.3	Very high	87.5	Confident	10 Å²	10	61.3 Å²	61.3	6%	0.061	37%	0.371	C	S	.	.	G	3₁₀ helix	trans	-64.3	-31.3	177.7	177.2	0	0	0	0	111.3	H6 V8 L17 C18 F21 L38 L43	H6-V15 HydrophobicContact CB-CG2 3.66Å; V8-V15 HydrophobicContact CG2-CG1 4.45Å; V15-L17 PolarHBondContact O-N 3.02Å; V15-L17 VanDerWaalsContact O-N 3.15Å; V15-C18 WeakPolarHBondContact O-CB 3.38Å; V15-C18 PolarHBondContact O-N 3.46Å; V15-F21 HydrophobicContact CG1-CB 4.18Å; V15-F21 HydrophobicContact CG1-CD1 3.8Å; V15-F21 HydrophobicContact CG1-CD2 4.06Å; V15-F21 HydrophobicContact CG1-CE1 4.18Å; V15-F21 HydrophobicContact CG1-CE2 4.4Å; V15-F21 HydrophobicContact CG1-CG 3.74Å; V15-F21 HydrophobicContact CG1-CZ 4.46Å; V15-L38 HydrophobicContact CB-CD1 4.34Å; V15-L38 HydrophobicContact CG1-CD1 3.95Å; V15-L38 HydrophobicContact CG2-CD1 3.79Å; V15-L38 HydrophobicContact CG2-CD2 4.42Å; V15-L43 HydrophobicContact CB-CB 3.95Å; V15-L43 HydrophobicContact CG1-CB 4.08Å; V15-L43 HydrophobicContact CG1-CD1 4.38Å
16	S	89.7	Confident	87.9	Confident	40 Å²	40	58 Å²	58	28%	0.28	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	-60.3	-20.8	174.1	54.4	0	0	0	0	113.9	P14	P14-S16 PolarHBondContact O-N 2.65Å
17	L	86.2	Confident	88.3	Confident	122 Å²	122	62.6 Å²	62.6	64%	0.639	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	-110.4	10.1	176.3	-61.3	178.2	0	0	0	112.5	P14 V15 P19	P14-L17 HydrophobicContact CG-CD1 4.5Å; P14-L17 PolarHBondContact O-N 2.86Å; P14-L17 VanDerWaalsContact O-N 3.09Å; V15-L17 PolarHBondContact O-N 3.02Å; V15-L17 VanDerWaalsContact O-N 3.15Å; L17-P19 VanDerWaalsContact O-CD 3.23Å; L17-P19 WeakPolarHBondContact O-CD 3.42Å
18	C	88.4	Confident	88.5	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	35%	0.352	C	S	.	.			trans	-76.4	115.1	-177.9	178.2	0	0	0	0	111	H6 C9 H13 P14 V15 T20 F21 I22	H6-C18 PolarHBondContact CE1-SG 3.5Å; C9-C18 VanDerWaalsContact SG-SG 3.68Å; H13-C18 WeakPolarHBondContact CE1-CA 3.42Å; H13-C18 WeakPolarHBondContact CE1-CB 3.41Å; P14-C18 PolarHBondContact O-N 2.81Å; V15-C18 WeakPolarHBondContact O-CB 3.38Å; V15-C18 PolarHBondContact O-N 3.46Å; C18-T20 PolarHBondContact O-N 2.78Å; C18-F21 HydrophobicContact CB-CB 3.69Å; C18-F21 PolarHBondContact O-N 2.85Å; C18-F21 VanDerWaalsContact O-N 3.15Å; C18-F21 PolarHBondContact SG-N 2.86Å; C18-I22 VanDerWaalsContact O-CG1 3.29Å; C18-I22 WeakPolarHBondContact O-CG1 3.23Å; C18-I22 PolarHBondContact O-N 3.27Å
19	P	84.8	Confident	88.9	Confident	92 Å²	92	58.4 Å²	58.4	60%	0.597	35%	0.346	S	S	*	.	H	α-helix	trans	-61.5	-35.6	178.8	-22.6	34.9	0	0	0	112.2	L17 A23	L17-P19 VanDerWaalsContact O-CD 3.23Å; L17-P19 WeakPolarHBondContact O-CD 3.42Å; P19-A23 WeakPolarHBondContact O-CB 3.43Å; P19-A23 PolarHBondContact O-N 3.36Å
20	T	88.1	Confident	89.2	Confident	70 Å²	70	60.9 Å²	60.9	43%	0.429	35%	0.351	S	S	.	.	H	α-helix	trans	-65.2	-43.8	176.9	-49.9	0	0	0	0	111.5	V8 C9 C18 T24	V8-T20 HydrophobicContact CG1-CG2 4.44Å; C9-T20 HydrophobicContact CB-CG2 4.23Å; C9-T20 WeakPolarHBondContact CB-OG1 3.43Å; C18-T20 PolarHBondContact O-N 2.78Å; T20-T24 WeakPolarHBondContact O-CG2 3.48Å; T20-T24 PolarHBondContact O-N 3.25Å
21	F	90.6	Very high	89.5	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-66.4	-47.8	178	-173.6	-107.6	0	0	0	111.2	V8 V15 C18 A23 T24 R29 N32 C33 L43 L70 F71	V8-F21 HydrophobicContact CG1-CB 3.9Å; V8-F21 HydrophobicContact CG1-CD2 4.02Å; V8-F21 HydrophobicContact CG1-CG 4.46Å; V8-F21 HydrophobicContact CG2-CD2 4.07Å; V15-F21 HydrophobicContact CG1-CB 4.18Å; V15-F21 HydrophobicContact CG1-CD1 3.8Å; V15-F21 HydrophobicContact CG1-CD2 4.06Å; V15-F21 HydrophobicContact CG1-CE1 4.18Å; V15-F21 HydrophobicContact CG1-CE2 4.4Å; V15-F21 HydrophobicContact CG1-CG 3.74Å; V15-F21 HydrophobicContact CG1-CZ 4.46Å; C18-F21 HydrophobicContact CB-CB 3.69Å; C18-F21 PolarHBondContact O-N 2.85Å; C18-F21 VanDerWaalsContact O-N 3.15Å; C18-F21 PolarHBondContact SG-N 2.86Å; F21-A23 VanDerWaalsContact C-N 3.3Å; F21-A23 PolarHBondContact O-N 2.64Å; F21-T24 PolarHBondContact O-N 2.97Å; F21-T24 VanDerWaalsContact O-N 3.13Å; F21-T24 PolarHBondContact O-OG1 2.95Å; F21-R29 HydrophobicContact CE1-CB 4.39Å; F21-R29 HydrophobicContact CE1-CG 4.33Å; F21-R29 HydrophobicContact CE2-CB 3.97Å; F21-R29 HydrophobicContact CE2-CG 4.23Å; F21-R29 HydrophobicContact CZ-CB 3.73Å; F21-R29 HydrophobicContact CZ-CG 4.07Å; F21-N32 HydrophobicContact CE2-CB 4.17Å; F21-C33 WeakPolarHBondContact CZ-SG 3.42Å; F21-L43 HydrophobicContact CD1-CD1 4.41Å; F21-L43 HydrophobicContact CE1-CD1 3.8Å; F21-L43 HydrophobicContact CE1-CD2 4.05Å; F21-L43 HydrophobicContact CZ-CD2 3.99Å; F21-L70 HydrophobicContact CD1-CD1 4.27Å; F21-L70 HydrophobicContact CE1-CB 4.42Å; F21-L70 HydrophobicContact CE1-CD1 4.25Å; F21-F71 HydrophobicContact CZ-CE1 4.41Å; F21-F71 HydrophobicContact CZ-CZ 4.37Å
22	I	87.7	Confident	89.8	Confident	57 Å²	57	58.4 Å²	58.4	29%	0.292	33%	0.326	S	S	.	.	H	α-helix	trans	-61.8	-38.5	178.9	-63.9	165.3	0	0	0	110.5	C18 T24 R29 L70	C18-I22 VanDerWaalsContact O-CG1 3.29Å; C18-I22 WeakPolarHBondContact O-CG1 3.23Å; C18-I22 PolarHBondContact O-N 3.27Å; I22-T24 PolarHBondContact O-N 3.42Å; I22-R29 PolarHBondContact O-NH2 3.24Å; I22-L70 HydrophobicContact CG1-CD1 4.18Å; I22-L70 HydrophobicContact CG1-CD2 4.37Å
23	A	84.2	Confident	90	Very high	87 Å²	87	55.2 Å²	55.2	72%	0.719	31%	0.307	S	S	*	.	H	α-helix	trans	-70	-16.4	178.5	0	0	0	0	0	114.3	P19 F21	P19-A23 WeakPolarHBondContact O-CB 3.43Å; P19-A23 PolarHBondContact O-N 3.36Å; F21-A23 VanDerWaalsContact C-N 3.3Å; F21-A23 PolarHBondContact O-N 2.64Å
24	T	87.9	Confident	90.3	Very high	28 Å²	28	59.4 Å²	59.4	17%	0.172	32%	0.324	C	S	.	.	S	Bend	trans	-76.2	148.3	179.2	60.3	0	0	0	0	112.9	T20 F21 I22 R29	T20-T24 WeakPolarHBondContact O-CG2 3.48Å; T20-T24 PolarHBondContact O-N 3.25Å; F21-T24 PolarHBondContact O-N 2.97Å; F21-T24 VanDerWaalsContact O-N 3.13Å; F21-T24 PolarHBondContact O-OG1 2.95Å; I22-T24 PolarHBondContact O-N 3.42Å; T24-R29 PolarHBondContact O-NE 3.32Å; T24-R29 PolarHBondContact O-NH2 3.45Å; T24-R29 VanDerWaalsContact OG1-CG 3.28Å; T24-R29 WeakPolarHBondContact OG1-CG 2.93Å
25	P	89.4	Confident	90.5	Very high	84 Å²	84	62.4 Å²	62.4	55%	0.545	33%	0.332	S	S	.	.			trans	-56.8	150.2	172.4	-24.2	34	0	0	0	112	E27 Q28 R29	P25-E27 VanDerWaalsContact C-N 3.31Å; P25-E27 PolarHBondContact O-N 2.94Å; P25-Q28 HydrophobicContact CB-CB 4.41Å; P25-Q28 CarbonylContact O-C 3.57Å; P25-Q28 WeakPolarHBondContact O-CA 3.32Å; P25-Q28 VanDerWaalsContact O-CB 3.27Å; P25-Q28 WeakPolarHBondContact O-CB 3.31Å; P25-Q28 PolarHBondContact O-N 3.15Å; P25-R29 PolarHBondContact O-N 3.19Å
26	V	91.9	Very high	90.5	Very high	15 Å²	15	63.3 Å²	63.3	9%	0.091	34%	0.337	C	S	.	.	H	α-helix	trans	-58.7	-41	-174.3	164.7	0	0	0	0	113.3	Q28 R29 W30 F71 H72 R73	V26-Q28 PolarHBondContact O-N 2.92Å; V26-R29 WeakPolarHBondContact O-CB 3.23Å; V26-R29 PolarHBondContact O-N 2.89Å; V26-R29 VanDerWaalsContact O-N 3.1Å; V26-W30 PolarHBondContact O-N 3.16Å; V26-F71 WeakPolarHBondContact CG1-O 2.94Å; V26-H72 VanDerWaalsContact CG2-O 3.32Å; V26-H72 WeakPolarHBondContact CG2-O 3.35Å; V26-R73 HydrophobicContact CG2-CB 4.48Å
27	E	91.3	Very high	90.7	Very high	116 Å²	116	71.5 Å²	71.5	54%	0.542	36%	0.362	S	S	.	.	H	α-helix	trans	-59.9	-36.9	175.8	-61.9	71.2	-155.3	0	0	110.6	P25 K31	P25-E27 VanDerWaalsContact C-N 3.31Å; P25-E27 PolarHBondContact O-N 2.94Å; E27-K31 WeakPolarHBondContact O-CG 3.29Å; E27-K31 PolarHBondContact O-N 2.84Å
28	Q	92	Very high	91.1	Very high	72 Å²	72	66.5 Å²	66.5	34%	0.336	34%	0.336	S	S	.	.	H	α-helix	trans	-74	-35.9	175.6	-165.1	63.3	23.4	0	0	111.8	P25 V26 W30 K31 N32	P25-Q28 HydrophobicContact CB-CB 4.41Å; P25-Q28 CarbonylContact O-C 3.57Å; P25-Q28 WeakPolarHBondContact O-CA 3.32Å; P25-Q28 VanDerWaalsContact O-CB 3.27Å; P25-Q28 WeakPolarHBondContact O-CB 3.31Å; P25-Q28 PolarHBondContact O-N 3.15Å; V26-Q28 PolarHBondContact O-N 2.92Å; Q28-W30 VanDerWaalsContact C-N 3.3Å; Q28-W30 PolarHBondContact O-N 3.42Å; Q28-K31 PolarHBondContact O-N 3.24Å; Q28-N32 PolarHBondContact NE2-OD1 3.15Å; Q28-N32 WeakPolarHBondContact O-CB 3.47Å; Q28-N32 PolarHBondContact O-N 3.4Å; Q28-N32 PolarHBondContact O-ND2 2.77Å; Q28-N32 PolarHBondContact O-OD1 3.4Å
29	R	94.9	Very high	91.4	Very high	12 Å²	12	66.6 Å²	66.6	5%	0.045	34%	0.336	C	S	.	.	H	α-helix	trans	-56.5	-45.7	171.9	-62.8	174.9	-163.1	168.2	-1	110.3	F21 I22 T24 P25 V26 K31 N32 C33 L70 F71 E74	F21-R29 HydrophobicContact CE1-CB 4.39Å; F21-R29 HydrophobicContact CE1-CG 4.33Å; F21-R29 HydrophobicContact CE2-CB 3.97Å; F21-R29 HydrophobicContact CE2-CG 4.23Å; F21-R29 HydrophobicContact CZ-CB 3.73Å; F21-R29 HydrophobicContact CZ-CG 4.07Å; I22-R29 PolarHBondContact O-NH2 3.24Å; T24-R29 PolarHBondContact O-NE 3.32Å; T24-R29 PolarHBondContact O-NH2 3.45Å; T24-R29 VanDerWaalsContact OG1-CG 3.28Å; T24-R29 WeakPolarHBondContact OG1-CG 2.93Å; P25-R29 PolarHBondContact O-N 3.19Å; V26-R29 WeakPolarHBondContact O-CB 3.23Å; V26-R29 PolarHBondContact O-N 2.89Å; V26-R29 VanDerWaalsContact O-N 3.1Å; R29-K31 PolarHBondContact O-N 3.07Å; R29-N32 PolarHBondContact O-N 2.69Å; R29-C33 PolarHBondContact O-N 2.83Å; R29-L70 WeakPolarHBondContact CD-O 3.5Å; R29-L70 PolarHBondContact NH1-O 3.46Å; R29-F71 HydrophobicContact CB-CD1 4.07Å; R29-F71 HydrophobicContact CB-CE1 3.98Å; R29-E74 IonicContact CZ-OE1 2.97Å; R29-E74 IonicContact NH1-OE1 3.27Å; R29-E74 PolarHBondContact NH1-OE1 3.27Å; R29-E74 IonicContact NH2-OE1 3.31Å; R29-E74 PolarHBondContact NH2-OE1 2.95Å
30	W	94.7	Very high	91.9	Very high	87 Å²	87	64.8 Å²	64.8	33%	0.33	32%	0.319	S	S	.	.	H	α-helix	trans	-59.6	-44.3	176.4	-75.2	107.6	0	0	0	112.7	V26 Q28 K34 F40 H67 F71	V26-W30 PolarHBondContact O-N 3.16Å; Q28-W30 VanDerWaalsContact C-N 3.3Å; Q28-W30 PolarHBondContact O-N 3.42Å; W30-K34 WeakPolarHBondContact O-CG 3.49Å; W30-K34 PolarHBondContact O-N 3.02Å; W30-F40 AromaticContact CE3-CD1 3.67Å; W30-F40 HydrophobicContact CE3-CD1 3.67Å; W30-F40 AromaticContact CE3-CE1 3.96Å; W30-F40 HydrophobicContact CE3-CE1 3.96Å; W30-F40 HydrophobicContact CE3-CG 4.34Å; W30-F40 HydrophobicContact CZ3-CB 4.18Å; W30-F40 AromaticContact CZ3-CD1 3.73Å; W30-F40 HydrophobicContact CZ3-CD1 3.73Å; W30-F40 HydrophobicContact CZ3-CE1 4.36Å; W30-F40 AromaticContact CZ3-CG 3.94Å; W30-F40 HydrophobicContact CZ3-CG 3.94Å; W30-H67 HydrophobicContact CH2-CB 3.67Å; W30-H67 HydrophobicContact CZ2-CB 4.41Å; W30-H67 HydrophobicContact CZ3-CB 4.41Å; W30-F71 HydrophobicContact CB-CD1 4.47Å; W30-F71 HydrophobicContact CB-CE1 4.46Å; W30-F71 AromaticContact CD1-CD1 3.83Å; W30-F71 HydrophobicContact CD2-CB 4.36Å; W30-F71 AromaticContact CD2-CD1 3.41Å; W30-F71 HydrophobicContact CD2-CD1 3.41Å; W30-F71 VanDerWaalsContact CD2-CD1 3.41Å; W30-F71 AromaticContact CD2-CE1 3.86Å; W30-F71 HydrophobicContact CD2-CE1 3.86Å; W30-F71 AromaticContact CD2-CG 3.99Å; W30-F71 HydrophobicContact CD2-CG 3.99Å; W30-F71 AromaticContact CE2-CD1 3.49Å; W30-F71 VanDerWaalsContact CE2-CD1 3.49Å; W30-F71 AromaticContact CE2-CG 3.66Å; W30-F71 AromaticContact CE3-CD1 3.87Å; W30-F71 HydrophobicContact CE3-CD1 3.87Å; W30-F71 AromaticContact CE3-CE1 3.97Å; W30-F71 HydrophobicContact CE3-CE1 3.97Å; W30-F71 HydrophobicContact CE3-CG 4.29Å; W30-F71 HydrophobicContact CE3-CZ 4.49Å; W30-F71 AromaticContact CG-CD1 3.67Å; W30-F71 HydrophobicContact CG-CD1 3.67Å; W30-F71 HydrophobicContact CG-CE1 4.08Å; W30-F71 HydrophobicContact CH2-CB 4.14Å; W30-F71 HydrophobicContact CH2-CD1 4.44Å; W30-F71 HydrophobicContact CH2-CD2 4.38Å; W30-F71 HydrophobicContact CH2-CG 4.07Å; W30-F71 HydrophobicContact CZ2-CB 3.43Å; W30-F71 VanDerWaalsContact CZ2-CB 3.43Å; W30-F71 HydrophobicContact CZ2-CD1 4.04Å; W30-F71 HydrophobicContact CZ2-CD2 4.45Å; W30-F71 AromaticContact CZ2-CG 3.73Å; W30-F71 HydrophobicContact CZ2-CG 3.73Å; W30-F71 HydrophobicContact CZ3-CD1 4.35Å; W30-F71 HydrophobicContact CZ3-CG 4.33Å; W30-F71 AromaticContact NE1-CD1 3.7Å
31	K	95.3	Very high	92.2	Very high	112 Å²	112	63.5 Å²	63.5	49%	0.487	31%	0.307	S	S	.	.	H	α-helix	trans	-65	-48.7	176.5	-70	178.5	-178.2	179.6	0	111.8	E27 Q28 R29 C33 K34 E35	E27-K31 WeakPolarHBondContact O-CG 3.29Å; E27-K31 PolarHBondContact O-N 2.84Å; Q28-K31 PolarHBondContact O-N 3.24Å; R29-K31 PolarHBondContact O-N 3.07Å; K31-C33 VanDerWaalsContact C-N 3.29Å; K31-C33 PolarHBondContact O-N 3.18Å; K31-K34 WeakPolarHBondContact O-CA 3.47Å; K31-K34 WeakPolarHBondContact O-CB 3.36Å; K31-K34 PolarHBondContact O-N 2.88Å; K31-E35 WeakPolarHBondContact O-CG 3.23Å; K31-E35 PolarHBondContact O-N 3.02Å
32	N	92.9	Very high	92.3	Very high	22 Å²	22	63.7 Å²	63.7	12%	0.118	31%	0.308	C	S	.	.	H	α-helix	trans	-54.7	-45.5	178.3	-71.2	-10.3	0	0	0	111	F21 Q28 R29 K34 E35 T36	F21-N32 HydrophobicContact CE2-CB 4.17Å; Q28-N32 PolarHBondContact NE2-OD1 3.15Å; Q28-N32 WeakPolarHBondContact O-CB 3.47Å; Q28-N32 PolarHBondContact O-N 3.4Å; Q28-N32 PolarHBondContact O-ND2 2.77Å; Q28-N32 PolarHBondContact O-OD1 3.4Å; R29-N32 PolarHBondContact O-N 2.69Å; N32-K34 PolarHBondContact O-N 3.33Å; N32-E35 PolarHBondContact O-N 3.14Å; N32-T36 WeakPolarHBondContact O-CB 3.24Å; N32-T36 WeakPolarHBondContact O-CG2 3.36Å; N32-T36 PolarHBondContact O-N 3.48Å; N32-T36 PolarHBondContact O-OG1 2.88Å
33	C	93.8	Very high	92.6	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-67.8	-33.6	178	-72.7	0	0	0	0	113.5	F21 R29 K31 R37 L38 F40 F71	F21-C33 WeakPolarHBondContact CZ-SG 3.42Å; R29-C33 PolarHBondContact O-N 2.83Å; K31-C33 VanDerWaalsContact C-N 3.29Å; K31-C33 PolarHBondContact O-N 3.18Å; C33-R37 WeakPolarHBondContact O-CA 3.4Å; C33-R37 PolarHBondContact O-N 3.2Å; C33-R37 VanDerWaalsContact O-N 3.09Å; C33-L38 HydrophobicContact CB-CB 4.19Å; C33-L38 PolarHBondContact O-N 3.17Å; C33-F40 HydrophobicContact CB-CD1 3.75Å; C33-F40 HydrophobicContact CB-CE1 3.49Å; C33-F40 VanDerWaalsContact CB-CE1 3.49Å; C33-F40 HydrophobicContact CB-CZ 4.5Å; C33-F71 HydrophobicContact CB-CE1 4.39Å; C33-F71 HydrophobicContact CB-CZ 4Å; C33-F71 VanDerWaalsContact SG-CZ 3.57Å
34	K	93.3	Very high	93	Very high	145 Å²	145	63.9 Å²	63.9	63%	0.63	29%	0.287	S	S	*	.	H	α-helix	trans	-63.9	-50.3	171.8	-74.7	175.7	-178.8	-177.9	0	111.5	W30 K31 N32 R37 F40	W30-K34 WeakPolarHBondContact O-CG 3.49Å; W30-K34 PolarHBondContact O-N 3.02Å; K31-K34 WeakPolarHBondContact O-CA 3.47Å; K31-K34 WeakPolarHBondContact O-CB 3.36Å; K31-K34 PolarHBondContact O-N 2.88Å; N32-K34 PolarHBondContact O-N 3.33Å; K34-R37 PolarHBondContact O-N 3.02Å; K34-F40 HydrophobicContact CB-CZ 4.46Å; K34-F40 HydrophobicContact CG-CE1 3.98Å; K34-F40 HydrophobicContact CG-CZ 3.49Å; K34-F40 VanDerWaalsContact CG-CZ 3.49Å
35	E	93.4	Very high	93.2	Very high	140 Å²	140	65.4 Å²	65.4	65%	0.654	30%	0.302	S	S	*	.	H	α-helix	trans	-67.1	-40	-176.3	-70.7	169.5	-169.7	0	0	112	K31 N32 R37	K31-E35 WeakPolarHBondContact O-CG 3.23Å; K31-E35 PolarHBondContact O-N 3.02Å; N32-E35 PolarHBondContact O-N 3.14Å; E35-R37 VanDerWaalsContact C-N 3.34Å
36	T	91	Very high	93.2	Very high	28 Å²	28	65.3 Å²	65.3	17%	0.172	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	3.8	-179.6	62.3	0	0	0	0	113.8	L7 N32 L38	L7-T36 HydrophobicContact CB-CG2 3.66Å; L7-T36 HydrophobicContact CD1-CG2 4.29Å; N32-T36 WeakPolarHBondContact O-CB 3.24Å; N32-T36 WeakPolarHBondContact O-CG2 3.36Å; N32-T36 PolarHBondContact O-N 3.48Å; N32-T36 PolarHBondContact O-OG1 2.88Å; T36-L38 VanDerWaalsContact C-N 3.26Å; T36-L38 PolarHBondContact O-N 3.26Å; T36-L38 WeakPolarHBondContact OG1-CD1 3.31Å; T36-L38 VanDerWaalsContact OG1-CG 3.32Å; T36-L38 WeakPolarHBondContact OG1-CG 3.44Å
37	R	92.8	Very high	93.3	Very high	213 Å²	213	67.5 Å²	67.5	80%	0.804	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.9	39.7	-179.7	-59.8	-178.1	176.8	168.4	-1	113.8	C33 K34 E35	C33-R37 WeakPolarHBondContact O-CA 3.4Å; C33-R37 PolarHBondContact O-N 3.2Å; C33-R37 VanDerWaalsContact O-N 3.09Å; K34-R37 PolarHBondContact O-N 3.02Å; E35-R37 VanDerWaalsContact C-N 3.34Å
38	L	94.2	Very high	93.4	Very high	16 Å²	16	68 Å²	68	8%	0.084	33%	0.331	C	S	.	.	B	Isolated β-bridge	trans	-85.4	138.8	173.7	-62.9	174.5	0	0	0	110	V8 V15 C33 T36 F40 A45	V8-L38 HydrophobicContact CG2-CD1 4.31Å; V15-L38 HydrophobicContact CB-CD1 4.34Å; V15-L38 HydrophobicContact CG1-CD1 3.95Å; V15-L38 HydrophobicContact CG2-CD1 3.79Å; V15-L38 HydrophobicContact CG2-CD2 4.42Å; C33-L38 HydrophobicContact CB-CB 4.19Å; C33-L38 PolarHBondContact O-N 3.17Å; T36-L38 VanDerWaalsContact C-N 3.26Å; T36-L38 PolarHBondContact O-N 3.26Å; T36-L38 WeakPolarHBondContact OG1-CD1 3.31Å; T36-L38 VanDerWaalsContact OG1-CG 3.32Å; T36-L38 WeakPolarHBondContact OG1-CG 3.44Å; L38-F40 PolarHBondContact O-N 2.98Å; L38-A45 HydrophobicContact CD2-CB 4.12Å
39	C	94.8	Very high	93.4	Very high	2 Å²	2	65.1 Å²	65.1	1%	0.014	32%	0.32	C	S	.	.			trans	-59.1	123.3	172.6	173.3	0	0	0	0	110	R41 C42 L43 R44 H47 A49	C39-R41 PolarHBondContact O-N 3.02Å; C39-R41 VanDerWaalsContact O-N 3.14Å; C39-R41 PolarHBondContact SG-N 2.93Å; C39-R41 VanDerWaalsContact SG-N 3.38Å; C39-C42 PolarHBondContact O-N 2.94Å; C39-C42 VanDerWaalsContact SG-SG 3.68Å; C39-L43 WeakPolarHBondContact O-CA 3.24Å; C39-L43 PolarHBondContact O-N 2.86Å; C39-R44 WeakPolarHBondContact CB-O 3.3Å; C39-R44 PolarHBondContact N-O 3.05Å; C39-H47 PolarHBondContact SG-NE2 3.31Å; C39-A49 VanDerWaalsContact SG-CA 3.54Å
40	F	95.3	Very high	93.2	Very high	54 Å²	54	73.6 Å²	73.6	24%	0.237	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-22.7	178.1	-58.4	-68.6	0	0	0	112.9	W30 C33 K34 L38 A49 H67 H68 F71	W30-F40 AromaticContact CE3-CD1 3.67Å; W30-F40 HydrophobicContact CE3-CD1 3.67Å; W30-F40 AromaticContact CE3-CE1 3.96Å; W30-F40 HydrophobicContact CE3-CE1 3.96Å; W30-F40 HydrophobicContact CE3-CG 4.34Å; W30-F40 HydrophobicContact CZ3-CB 4.18Å; W30-F40 AromaticContact CZ3-CD1 3.73Å; W30-F40 HydrophobicContact CZ3-CD1 3.73Å; W30-F40 HydrophobicContact CZ3-CE1 4.36Å; W30-F40 AromaticContact CZ3-CG 3.94Å; W30-F40 HydrophobicContact CZ3-CG 3.94Å; C33-F40 HydrophobicContact CB-CD1 3.75Å; C33-F40 HydrophobicContact CB-CE1 3.49Å; C33-F40 VanDerWaalsContact CB-CE1 3.49Å; C33-F40 HydrophobicContact CB-CZ 4.5Å; K34-F40 HydrophobicContact CB-CZ 4.46Å; K34-F40 HydrophobicContact CG-CE1 3.98Å; K34-F40 HydrophobicContact CG-CZ 3.49Å; K34-F40 VanDerWaalsContact CG-CZ 3.49Å; L38-F40 PolarHBondContact O-N 2.98Å; F40-A49 HydrophobicContact CB-CB 4.22Å; F40-H67 CarbonylContact O-C 3.4Å; F40-H67 VanDerWaalsContact O-C 3.3Å; F40-H67 VanDerWaalsContact O-CA 3.25Å; F40-H67 WeakPolarHBondContact O-CA 3.5Å; F40-H68 WeakPolarHBondContact O-CB 3.25Å; F40-H68 PolarHBondContact O-N 2.92Å; F40-F71 HydrophobicContact CB-CE2 4.17Å; F40-F71 HydrophobicContact CB-CZ 4.5Å; F40-F71 HydrophobicContact CD1-CE1 4.32Å; F40-F71 HydrophobicContact CD1-CE2 4.28Å; F40-F71 AromaticContact CD1-CZ 3.79Å; F40-F71 HydrophobicContact CD1-CZ 3.79Å; F40-F71 WeakPolarHBondContact O-CE2 3.35Å
41	R	94.5	Very high	93	Very high	44 Å²	44	75.5 Å²	75.5	17%	0.166	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-44	-179.3	-174.3	172.8	170.4	179.7	-5	113.3	C39 A49 C52 S54 D56 R65 H68	C39-R41 PolarHBondContact O-N 3.02Å; C39-R41 VanDerWaalsContact O-N 3.14Å; C39-R41 PolarHBondContact SG-N 2.93Å; C39-R41 VanDerWaalsContact SG-N 3.38Å; R41-A49 HydrophobicContact CB-CB 4.12Å; R41-C52 HydrophobicContact CB-CB 4.11Å; R41-C52 HydrophobicContact CG-CB 4.44Å; R41-C52 PolarHBondContact NH1-O 3.03Å; R41-S54 PolarHBondContact NE-O 3.03Å; R41-S54 VanDerWaalsContact NE-O 3.12Å; R41-S54 PolarHBondContact NH2-O 3.3Å; R41-D56 CarbonylContact O-C 3.59Å; R41-R65 WeakPolarHBondContact CD-O 3.45Å; R41-R65 VanDerWaalsContact CG-O 3.26Å; R41-R65 WeakPolarHBondContact CG-O 3.2Å; R41-R65 PolarHBondContact NE-O 3.3Å; R41-H68 WeakPolarHBondContact O-CB 3.27Å; R41-H68 PolarHBondContact O-CD2 3.4Å
42	C	93.9	Very high	92.9	Very high	4 Å²	4	70.6 Å²	70.6	3%	0.027	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.9	-0.4	-173.1	71.6	0	0	0	0	115	C39 R44 H47 C52 D56	C39-C42 PolarHBondContact O-N 2.94Å; C39-C42 VanDerWaalsContact SG-SG 3.68Å; C42-R44 PolarHBondContact O-N 2.92Å; C42-R44 VanDerWaalsContact O-N 3.16Å; C42-H47 PolarHBondContact SG-CE1 3.31Å; C42-H47 PolarHBondContact SG-NE2 2.83Å; C42-C52 VanDerWaalsContact SG-SG 3.63Å; C42-D56 HydrophobicContact CB-CB 3.92Å; C42-D56 WeakPolarHBondContact CB-OD2 3.27Å
43	L	94	Very high	92.8	Very high	4 Å²	4	79.6 Å²	79.6	2%	0.021	39%	0.39	C	S	.	.	S	Bend	trans	58.9	22.9	-179.2	-52.1	173.8	0	0	0	114.5	V15 F21 C39 H68 L70 F71	V15-L43 HydrophobicContact CB-CB 3.95Å; V15-L43 HydrophobicContact CG1-CB 4.08Å; V15-L43 HydrophobicContact CG1-CD1 4.38Å; F21-L43 HydrophobicContact CD1-CD1 4.41Å; F21-L43 HydrophobicContact CE1-CD1 3.8Å; F21-L43 HydrophobicContact CE1-CD2 4.05Å; F21-L43 HydrophobicContact CZ-CD2 3.99Å; C39-L43 WeakPolarHBondContact O-CA 3.24Å; C39-L43 PolarHBondContact O-N 2.86Å; L43-H68 HydrophobicContact CD1-CB 4.26Å; L43-H68 HydrophobicContact CD2-CB 4.26Å; L43-H68 HydrophobicContact CG-CB 4.04Å; L43-L70 HydrophobicContact CD1-CD1 3.8Å; L43-F71 HydrophobicContact CD2-CE2 3.65Å; L43-F71 HydrophobicContact CD2-CZ 3.71Å
44	R	92.7	Very high	92.7	Very high	144 Å²	144	80.7 Å²	80.7	54%	0.543	40%	0.398	S	S	.	.			trans	-106	147.5	174.4	-54.5	175.3	-155.3	171.6	6.5	110.4	C39 C42 D56	C39-R44 WeakPolarHBondContact CB-O 3.3Å; C39-R44 PolarHBondContact N-O 3.05Å; C42-R44 PolarHBondContact O-N 2.92Å; C42-R44 VanDerWaalsContact O-N 3.16Å; R44-D56 IonicContact CZ-OD2 3.53Å; R44-D56 IonicContact NE-OD2 3.82Å; R44-D56 IonicContact NH2-OD1 3.96Å; R44-D56 IonicContact NH2-OD2 2.76Å; R44-D56 PolarHBondContact NH2-OD2 2.99Å
45	A	90.4	Very high	92.5	Very high	60 Å²	60	79.3 Å²	79.3	50%	0.496	40%	0.398	S	S	.	.	B	Isolated β-bridge	trans	-73.7	169	177.2	0	0	0	0	0	112.4	L38 H47	L38-A45 HydrophobicContact CD2-CB 4.12Å; A45-H47 PolarHBondContact O-ND1 2.74Å
46	G	91	Very high	92.3	Very high	81 Å²	81	75.6 Å²	75.6	84%	0.835	38%	0.382	S	S	*	.	S	Bend	trans	93.6	-0.9	166.8	0	0	0	0	0	116.5
47	H	94	Very high	92.2	Very high	61 Å²	61	74.4 Å²	74.4	28%	0.282	38%	0.376	S	S	.	.	S	Bend	trans	-156.8	161.6	176.8	63	-72.8	0	0	0	112.4	C39 C42 A45 C52	C39-H47 PolarHBondContact SG-NE2 3.31Å; C42-H47 PolarHBondContact SG-CE1 3.31Å; C42-H47 PolarHBondContact SG-NE2 2.83Å; A45-H47 PolarHBondContact O-ND1 2.74Å; H47-C52 PolarHBondContact NE2-SG 3.17Å
48	L	92.3	Very high	92.1	Very high	126 Å²	126	64.4 Å²	64.4	66%	0.66	34%	0.338	S	S	*	.			trans	-86.2	151.6	173.8	-60.2	177.8	0	0	0	110.8	K50 L51 C52	L48-K50 PolarHBondContact O-N 2.98Å; L48-L51 CarbonylContact O-C 3.54Å; L48-L51 PolarHBondContact O-N 3.15Å; L48-C52 PolarHBondContact O-N 2.87Å
49	A	91.5	Very high	91.8	Very high	13 Å²	13	68.6 Å²	68.6	11%	0.107	37%	0.365	C	S	.	.	G	3₁₀ helix	trans	-53.5	-38.6	178.5	0	0	0	0	0	113.6	C39 F40 R41 L51 C52 D66	C39-A49 VanDerWaalsContact SG-CA 3.54Å; F40-A49 HydrophobicContact CB-CB 4.22Å; R41-A49 HydrophobicContact CB-CB 4.12Å; A49-L51 PolarHBondContact O-N 3.05Å; A49-C52 WeakPolarHBondContact O-CB 3.21Å; A49-C52 PolarHBondContact O-N 2.93Å; A49-C52 VanDerWaalsContact O-N 3.1Å; A49-D66 VanDerWaalsContact CB-O 3.31Å; A49-D66 WeakPolarHBondContact CB-O 3.3Å
50	K	90.8	Very high	91.3	Very high	189 Å²	189	73.9 Å²	73.9	82%	0.822	39%	0.385	S	S	*	.	G	3₁₀ helix	trans	-62.3	-26.2	177.2	-63.3	-172.5	177.5	-175.4	0	114.2	L48	L48-K50 PolarHBondContact O-N 2.98Å
51	L	91.8	Very high	90.7	Very high	128 Å²	128	80.5 Å²	80.5	67%	0.67	42%	0.416	S	S	*	.	G	3₁₀ helix	trans	-103.6	5.9	179.9	-59.9	176.5	0	0	0	111.8	L48 A49 K53	L48-L51 CarbonylContact O-C 3.54Å; L48-L51 PolarHBondContact O-N 3.15Å; A49-L51 PolarHBondContact O-N 3.05Å; L51-K53 PolarHBondContact O-N 3.42Å
52	C	92.7	Very high	90.3	Very high	8 Å²	8	82.7 Å²	82.7	5%	0.054	45%	0.452	C	S	.	.			trans	-76.5	121	-176.2	-175.2	0	0	0	0	110.4	R41 C42 H47 L48 A49 S54	R41-C52 HydrophobicContact CB-CB 4.11Å; R41-C52 HydrophobicContact CG-CB 4.44Å; R41-C52 PolarHBondContact NH1-O 3.03Å; C42-C52 VanDerWaalsContact SG-SG 3.63Å; H47-C52 PolarHBondContact NE2-SG 3.17Å; L48-C52 PolarHBondContact O-N 2.87Å; A49-C52 WeakPolarHBondContact O-CB 3.21Å; A49-C52 PolarHBondContact O-N 2.93Å; A49-C52 VanDerWaalsContact O-N 3.1Å; C52-S54 VanDerWaalsContact C-N 3.34Å; C52-S54 VanDerWaalsContact SG-CB 3.55Å; C52-S54 PolarHBondContact SG-N 2.99Å
53	K	91.6	Very high	89.9	Confident	211 Å²	211	89 Å²	89	92%	0.917	48%	0.477	S	S	*	.			trans	-90.3	3.8	175.6	-59.2	-177.3	-179.7	-178.5	0	113.3	L51	L51-K53 PolarHBondContact O-N 3.42Å
54	S	90.4	Very high	89.5	Confident	23 Å²	23	91 Å²	91	16%	0.161	50%	0.497	C	S	.	.			trans	-76.4	150.6	179.9	-159.2	0	0	0	0	111.5	R41 C52 D56	R41-S54 PolarHBondContact NE-O 3.03Å; R41-S54 VanDerWaalsContact NE-O 3.12Å; R41-S54 PolarHBondContact NH2-O 3.3Å; C52-S54 VanDerWaalsContact C-N 3.34Å; C52-S54 VanDerWaalsContact SG-CB 3.55Å; C52-S54 PolarHBondContact SG-N 2.99Å; S54-D56 VanDerWaalsContact C-N 3.3Å; S54-D56 PolarHBondContact OG-OD2 3.42Å
55	D	89.3	Confident	89.3	Confident	117 Å²	117	90.7 Å²	90.7	63%	0.626	50%	0.496	S	S	*	.	S	Bend	trans	-87.1	1.4	172.1	-155.9	30.9	0	0	0	113.3	G57 R65	D55-G57 PolarHBondContact O-N 2.87Å; D55-R65 IonicContact OD1-NH1 3.73Å; D55-R65 PolarHBondContact OD1-NH1 2.9Å
56	D	89.2	Confident	89.2	Confident	61 Å²	61	92.6 Å²	92.6	33%	0.326	50%	0.498	S	S	.	.			trans	-66.2	5.9	178.9	-55.8	-37.6	0	0	0	114.7	R41 C42 R44 S54	R41-D56 CarbonylContact O-C 3.59Å; C42-D56 HydrophobicContact CB-CB 3.92Å; C42-D56 WeakPolarHBondContact CB-OD2 3.27Å; R44-D56 IonicContact CZ-OD2 3.53Å; R44-D56 IonicContact NE-OD2 3.82Å; R44-D56 IonicContact NH2-OD1 3.96Å; R44-D56 IonicContact NH2-OD2 2.76Å; R44-D56 PolarHBondContact NH2-OD2 2.99Å; S54-D56 VanDerWaalsContact C-N 3.3Å; S54-D56 PolarHBondContact OG-OD2 3.42Å
57	G	89.2	Confident	89.3	Confident	4 Å²	4	90 Å²	90	4%	0.041	46%	0.464	C	S	.	.	S	Bend	trans	-69.5	165.6	180	0	0	0	0	0	112.7	D55 T59 H67	D55-G57 PolarHBondContact O-N 2.87Å; G57-T59 PolarHBondContact O-N 2.78Å; G57-H67 CarbonylContact C-O 3.6Å
58	C	91.3	Very high	89.3	Confident	2 Å²	2	87.7 Å²	87.7	1%	0.014	45%	0.454	C	S	.	.			trans	-60.8	130.1	-176.3	-178.5	0	0	0	0	110.8	R60 H67 H72	C58-R60 PolarHBondContact SG-N 3.15Å; C58-H67 WeakPolarHBondContact CA-O 3.45Å; C58-H67 WeakPolarHBondContact CB-O 3.41Å; C58-H67 PolarHBondContact N-O 3.47Å; C58-H72 PolarHBondContact SG-NE2 3.24Å
59	T	87.2	Confident	89.2	Confident	105 Å²	105	86.3 Å²	86.3	64%	0.644	44%	0.444	S	S	*	.			trans	-102.4	0.2	178.6	55	0	0	0	0	112.6	G57 Q61	G57-T59 PolarHBondContact O-N 2.78Å; T59-Q61 PolarHBondContact O-N 2.79Å
60	R	84.6	Confident	89.2	Confident	113 Å²	113	86.9 Å²	86.9	43%	0.426	45%	0.445	S	S	.	.	S	Bend	trans	-69.4	130.9	179.2	-63.7	-165.7	-176.8	-167.5	1.3	110.8	C58 Y63 H72	C58-R60 PolarHBondContact SG-N 3.15Å; R60-Y63 HydrophobicContact CB-CD2 3.75Å; R60-Y63 HydrophobicContact CB-CE2 4.43Å; R60-Y63 PolarHBondContact O-N 3.02Å; R60-H72 VanDerWaalsContact CD-CD2 3.47Å; R60-H72 WeakPolarHBondContact CD-CD2 3.41Å; R60-H72 PolarHBondContact NE-CD2 2.82Å; R60-H72 VanDerWaalsContact NH1-CB 3.35Å
61	Q	83.5	Confident	89.3	Confident	192 Å²	192	78.2 Å²	78.2	90%	0.897	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	140.7	176.6	-66.4	-176	4.1	0	0	111.7	T59 Y63	T59-Q61 PolarHBondContact O-N 2.79Å; Q61-Y63 WeakPolarHBondContact O-CD2 3.42Å; Q61-Y63 PolarHBondContact O-N 2.84Å
62	G	86.1	Confident	89.1	Confident	90 Å²	90	72.9 Å²	72.9	93%	0.928	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.7	-6.5	-178.9	0	0	0	0	0	115
63	Y	85.5	Confident	88.4	Confident	138 Å²	138	79.8 Å²	79.8	54%	0.541	40%	0.404	S	S	.	.	S	Bend	trans	-105.7	147	173.1	-65.3	-83.9	0	0	0	110.8	R60 Q61 H72	R60-Y63 HydrophobicContact CB-CD2 3.75Å; R60-Y63 HydrophobicContact CB-CE2 4.43Å; R60-Y63 PolarHBondContact O-N 3.02Å; Q61-Y63 WeakPolarHBondContact O-CD2 3.42Å; Q61-Y63 PolarHBondContact O-N 2.84Å; Y63-H72 AromaticContact CD1-CE1 3.55Å; Y63-H72 AromaticContact CD2-CE1 3.68Å; Y63-H72 AromaticContact CE1-CE1 3.61Å; Y63-H72 AromaticContact CE2-CE1 3.73Å; Y63-H72 AromaticContact CG-CE1 3.57Å; Y63-H72 AromaticContact CZ-CE1 3.7Å
64	G	85	Confident	87.4	Confident	44 Å²	44	74.4 Å²	74.4	45%	0.454	38%	0.382	S	S	.	.			trans	-69.9	164.1	171.5	0	0	0	0	0	112.1	D66	G64-D66 PolarHBondContact O-N 2.84Å
65	R	87.6	Confident	85.9	Confident	139 Å²	139	83.1 Å²	83.1	53%	0.525	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	9.2	177.6	-61.6	-158.1	-177.6	-163	3.7	113.9	R41 D55 H67	R41-R65 WeakPolarHBondContact CD-O 3.45Å; R41-R65 VanDerWaalsContact CG-O 3.26Å; R41-R65 WeakPolarHBondContact CG-O 3.2Å; R41-R65 PolarHBondContact NE-O 3.3Å; D55-R65 IonicContact OD1-NH1 3.73Å; D55-R65 PolarHBondContact OD1-NH1 2.9Å; R65-H67 VanDerWaalsContact C-N 3.28Å; R65-H67 PolarHBondContact O-N 2.76Å
66	D	88.7	Confident	84.1	Confident	100 Å²	100	82.2 Å²	82.2	54%	0.535	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-4.9	-169.7	-64.1	-35.6	0	0	0	114.4	A49 G64	A49-D66 VanDerWaalsContact CB-O 3.31Å; A49-D66 WeakPolarHBondContact CB-O 3.3Å; G64-D66 PolarHBondContact O-N 2.84Å
67	H	93.2	Very high	82.5	Confident	25 Å²	25	82.5 Å²	82.5	12%	0.116	42%	0.423	C	S	.	.	S	Bend	trans	-136.2	162.7	176.2	68.2	-80.3	0	0	0	111.3	W30 F40 G57 C58 R65 F71 H72	W30-H67 HydrophobicContact CH2-CB 3.67Å; W30-H67 HydrophobicContact CZ2-CB 4.41Å; W30-H67 HydrophobicContact CZ3-CB 4.41Å; F40-H67 CarbonylContact O-C 3.4Å; F40-H67 VanDerWaalsContact O-C 3.3Å; F40-H67 VanDerWaalsContact O-CA 3.25Å; F40-H67 WeakPolarHBondContact O-CA 3.5Å; G57-H67 CarbonylContact C-O 3.6Å; C58-H67 WeakPolarHBondContact CA-O 3.45Å; C58-H67 WeakPolarHBondContact CB-O 3.41Å; C58-H67 PolarHBondContact N-O 3.47Å; R65-H67 VanDerWaalsContact C-N 3.28Å; R65-H67 PolarHBondContact O-N 2.76Å; H67-F71 HydrophobicContact CB-CD2 4.04Å; H67-H72 AromaticContact CD2-NE2 3.94Å; H67-H72 AromaticContact CE1-NE2 3.84Å; H67-H72 AromaticContact NE2-CD2 3.76Å; H67-H72 AromaticContact NE2-CE1 3.44Å; H67-H72 PolarHBondContact NE2-CE1 3.47Å; H67-H72 AromaticContact NE2-NE2 2.94Å; H67-H72 PolarHBondContact NE2-NE2 2.87Å
68	H	93.7	Very high	80.6	Confident	13 Å²	13	90.1 Å²	90.1	6%	0.06	46%	0.458	C	S	.	.			trans	-82.3	147.8	177.3	-165	-64.9	0	0	0	110	F40 R41 L43 L70 F71	F40-H68 WeakPolarHBondContact O-CB 3.25Å; F40-H68 PolarHBondContact O-N 2.92Å; R41-H68 WeakPolarHBondContact O-CB 3.27Å; R41-H68 PolarHBondContact O-CD2 3.4Å; L43-H68 HydrophobicContact CD1-CB 4.26Å; L43-H68 HydrophobicContact CD2-CB 4.26Å; L43-H68 HydrophobicContact CG-CB 4.04Å; H68-L70 PolarHBondContact ND1-N 2.76Å; H68-L70 PolarHBondContact O-N 2.94Å; H68-F71 HydrophobicContact CB-CD2 3.99Å; H68-F71 HydrophobicContact CB-CE2 3.99Å; H68-F71 VanDerWaalsContact O-CD2 3.31Å; H68-F71 WeakPolarHBondContact O-CD2 3.31Å; H68-F71 PolarHBondContact O-N 2.72Å
69	E	90.9	Very high	78.7	Confident	98 Å²	98	93.1 Å²	93.1	46%	0.458	49%	0.489	S	S	.	.	G	3₁₀ helix	trans	-54.6	-23.8	179.1	57.9	176.4	-173.2	0	0	115.4	F71 H72	E69-F71 PolarHBondContact O-N 3.22Å; E69-F71 VanDerWaalsContact O-N 3.17Å; E69-H72 PolarHBondContact O-CD2 2.64Å; E69-H72 PolarHBondContact O-N 3.44Å; E69-H72 VanDerWaalsContact O-N 3.11Å
70	L	91.3	Very high	77.3	Confident	24 Å²	24	94.5 Å²	94.5	13%	0.126	49%	0.491	C	S	.	.	G	3₁₀ helix	trans	-69.6	-7.3	178.2	-69.4	179.5	0	0	0	112.9	F21 I22 R29 L43 H68 H72	F21-L70 HydrophobicContact CD1-CD1 4.27Å; F21-L70 HydrophobicContact CE1-CB 4.42Å; F21-L70 HydrophobicContact CE1-CD1 4.25Å; I22-L70 HydrophobicContact CG1-CD1 4.18Å; I22-L70 HydrophobicContact CG1-CD2 4.37Å; R29-L70 WeakPolarHBondContact CD-O 3.5Å; R29-L70 PolarHBondContact NH1-O 3.46Å; L43-L70 HydrophobicContact CD1-CD1 3.8Å; H68-L70 PolarHBondContact ND1-N 2.76Å; H68-L70 PolarHBondContact O-N 2.94Å; L70-H72 VanDerWaalsContact C-N 3.34Å
71	F	92	Very high	75.8	Confident	8 Å²	8	97.3 Å²	97.3	4%	0.035	51%	0.509	C	S	.	.	G	3₁₀ helix	trans	-88.9	2	171.4	-66.3	-71.1	0	0	0	114	F21 V26 R29 W30 C33 F40 L43 H67 H68 E69	F21-F71 HydrophobicContact CZ-CE1 4.41Å; F21-F71 HydrophobicContact CZ-CZ 4.37Å; V26-F71 WeakPolarHBondContact CG1-O 2.94Å; R29-F71 HydrophobicContact CB-CD1 4.07Å; R29-F71 HydrophobicContact CB-CE1 3.98Å; W30-F71 HydrophobicContact CB-CD1 4.47Å; W30-F71 HydrophobicContact CB-CE1 4.46Å; W30-F71 AromaticContact CD1-CD1 3.83Å; W30-F71 HydrophobicContact CD2-CB 4.36Å; W30-F71 AromaticContact CD2-CD1 3.41Å; W30-F71 HydrophobicContact CD2-CD1 3.41Å; W30-F71 VanDerWaalsContact CD2-CD1 3.41Å; W30-F71 AromaticContact CD2-CE1 3.86Å; W30-F71 HydrophobicContact CD2-CE1 3.86Å; W30-F71 AromaticContact CD2-CG 3.99Å; W30-F71 HydrophobicContact CD2-CG 3.99Å; W30-F71 AromaticContact CE2-CD1 3.49Å; W30-F71 VanDerWaalsContact CE2-CD1 3.49Å; W30-F71 AromaticContact CE2-CG 3.66Å; W30-F71 AromaticContact CE3-CD1 3.87Å; W30-F71 HydrophobicContact CE3-CD1 3.87Å; W30-F71 AromaticContact CE3-CE1 3.97Å; W30-F71 HydrophobicContact CE3-CE1 3.97Å; W30-F71 HydrophobicContact CE3-CG 4.29Å; W30-F71 HydrophobicContact CE3-CZ 4.49Å; W30-F71 AromaticContact CG-CD1 3.67Å; W30-F71 HydrophobicContact CG-CD1 3.67Å; W30-F71 HydrophobicContact CG-CE1 4.08Å; W30-F71 HydrophobicContact CH2-CB 4.14Å; W30-F71 HydrophobicContact CH2-CD1 4.44Å; W30-F71 HydrophobicContact CH2-CD2 4.38Å; W30-F71 HydrophobicContact CH2-CG 4.07Å; W30-F71 HydrophobicContact CZ2-CB 3.43Å; W30-F71 VanDerWaalsContact CZ2-CB 3.43Å; W30-F71 HydrophobicContact CZ2-CD1 4.04Å; W30-F71 HydrophobicContact CZ2-CD2 4.45Å; W30-F71 AromaticContact CZ2-CG 3.73Å; W30-F71 HydrophobicContact CZ2-CG 3.73Å; W30-F71 HydrophobicContact CZ3-CD1 4.35Å; W30-F71 HydrophobicContact CZ3-CG 4.33Å; W30-F71 AromaticContact NE1-CD1 3.7Å; C33-F71 HydrophobicContact CB-CE1 4.39Å; C33-F71 HydrophobicContact CB-CZ 4Å; C33-F71 VanDerWaalsContact SG-CZ 3.57Å; F40-F71 HydrophobicContact CB-CE2 4.17Å; F40-F71 HydrophobicContact CB-CZ 4.5Å; F40-F71 HydrophobicContact CD1-CE1 4.32Å; F40-F71 HydrophobicContact CD1-CE2 4.28Å; F40-F71 AromaticContact CD1-CZ 3.79Å; F40-F71 HydrophobicContact CD1-CZ 3.79Å; F40-F71 WeakPolarHBondContact O-CE2 3.35Å; L43-F71 HydrophobicContact CD2-CE2 3.65Å; L43-F71 HydrophobicContact CD2-CZ 3.71Å; H67-F71 HydrophobicContact CB-CD2 4.04Å; H68-F71 HydrophobicContact CB-CD2 3.99Å; H68-F71 HydrophobicContact CB-CE2 3.99Å; H68-F71 VanDerWaalsContact O-CD2 3.31Å; H68-F71 WeakPolarHBondContact O-CD2 3.31Å; H68-F71 PolarHBondContact O-N 2.72Å; E69-F71 PolarHBondContact O-N 3.22Å; E69-F71 VanDerWaalsContact O-N 3.17Å
72	H	89.2	Confident	74.5	Confident	15 Å²	15	94 Å²	94	7%	0.069	50%	0.502	C	S	.	.	S	Bend	trans	-84.5	139.1	168.4	-70.2	-71.8	0	0	0	110.5	V26 C58 R60 Y63 H67 E69 L70 E74	V26-H72 VanDerWaalsContact CG2-O 3.32Å; V26-H72 WeakPolarHBondContact CG2-O 3.35Å; C58-H72 PolarHBondContact SG-NE2 3.24Å; R60-H72 VanDerWaalsContact CD-CD2 3.47Å; R60-H72 WeakPolarHBondContact CD-CD2 3.41Å; R60-H72 PolarHBondContact NE-CD2 2.82Å; R60-H72 VanDerWaalsContact NH1-CB 3.35Å; Y63-H72 AromaticContact CD1-CE1 3.55Å; Y63-H72 AromaticContact CD2-CE1 3.68Å; Y63-H72 AromaticContact CE1-CE1 3.61Å; Y63-H72 AromaticContact CE2-CE1 3.73Å; Y63-H72 AromaticContact CG-CE1 3.57Å; Y63-H72 AromaticContact CZ-CE1 3.7Å; H67-H72 AromaticContact CD2-NE2 3.94Å; H67-H72 AromaticContact CE1-NE2 3.84Å; H67-H72 AromaticContact NE2-CD2 3.76Å; H67-H72 AromaticContact NE2-CE1 3.44Å; H67-H72 PolarHBondContact NE2-CE1 3.47Å; H67-H72 AromaticContact NE2-NE2 2.94Å; H67-H72 PolarHBondContact NE2-NE2 2.87Å; E69-H72 PolarHBondContact O-CD2 2.64Å; E69-H72 PolarHBondContact O-N 3.44Å; E69-H72 VanDerWaalsContact O-N 3.11Å; L70-H72 VanDerWaalsContact C-N 3.34Å; H72-E74 PolarHBondContact O-N 3.24Å
73	R	77.5	Confident	73.3	Confident	153 Å²	153	91.8 Å²	91.8	58%	0.577	48%	0.479	S	S	*	.			trans	-56.1	111.3	167.4	-168	166.3	178	-167.6	-2.5	107.2	V26 K75 N76	V26-R73 HydrophobicContact CG2-CB 4.48Å; R73-K75 PolarHBondContact O-N 3.22Å; R73-N76 PolarHBondContact NH2-ND2 3.12Å
74	E	69.3	Low	71.9	Confident	98 Å²	98	91.2 Å²	91.2	46%	0.458	48%	0.482	S	S	.	.			trans	-55.2	127.4	158.7	-75.2	164.8	-126.4	0	0	104.7	R29 H72 N76	R29-E74 IonicContact CZ-OE1 2.97Å; R29-E74 IonicContact NH1-OE1 3.27Å; R29-E74 PolarHBondContact NH1-OE1 3.27Å; R29-E74 IonicContact NH2-OE1 3.31Å; R29-E74 PolarHBondContact NH2-OE1 2.95Å; H72-E74 PolarHBondContact O-N 3.24Å; E74-N76 VanDerWaalsContact C-N 3.29Å; E74-N76 PolarHBondContact O-N 2.97Å
75	K	59.4	Low	70.6	Confident	206 Å²	206	96.4 Å²	96.4	90%	0.896	50%	0.499	S	S	*	.			trans	-53.7	107.9	172	-71.8	-177.6	178.4	-178.3	0	104.2	R73 A77	R73-K75 PolarHBondContact O-N 3.22Å; K75-A77 PolarHBondContact O-N 2.97Å
76	N	51.4	Low	69.2	Low	98 Å²	98	97.3 Å²	97.3	52%	0.524	51%	0.509	S	S	.	.			trans	-50.6	118	172.6	-79.8	-18.3	0	0	0	103.8	R73 E74 E78	R73-N76 PolarHBondContact NH2-ND2 3.12Å; E74-N76 VanDerWaalsContact C-N 3.29Å; E74-N76 PolarHBondContact O-N 2.97Å; N76-E78 HydrophobicContact CB-CG 3.94Å; N76-E78 PolarHBondContact O-N 3.31Å
77	A	57	Low	68	Low	68 Å²	68	94.2 Å²	94.2	56%	0.562	50%	0.495	S	S	*	.			trans	-68.8	71.3	163.4	0	0	0	0	0	105.5	K75 G79 I80	K75-A77 PolarHBondContact O-N 2.97Å; A77-G79 VanDerWaalsContact C-N 3.3Å; A77-G79 CarbonylContact O-C 3.5Å; A77-G79 PolarHBondContact O-N 3.41Å; A77-I80 HydrophobicContact CB-CG1 3.77Å; A77-I80 PolarHBondContact O-N 2.65Å
78	E	47.5	Very low	66.5	Low	164 Å²	164	98.8 Å²	98.8	77%	0.766	53%	0.527	S	S	*	.	S	Bend	trans	-57.3	104.5	164.4	-73.7	-178.1	-175.7	0	0	104.9	N76	N76-E78 HydrophobicContact CB-CG 3.94Å; N76-E78 PolarHBondContact O-N 3.31Å
79	G	52.6	Low	65.3	Low	65 Å²	65	107.5 Å²	107.5	67%	0.67	57%	0.565	S	S	*	*	S	Bend	trans	77.9	80.2	-165.7	0	0	0	0	0	112.9	A77 Q81	A77-G79 VanDerWaalsContact C-N 3.3Å; A77-G79 CarbonylContact O-C 3.5Å; A77-G79 PolarHBondContact O-N 3.41Å; G79-Q81 PolarHBondContact O-N 3.26Å
80	I	57	Low	64	Low	134 Å²	134	108.8 Å²	108.8	69%	0.687	57%	0.571	S	S	*	*			trans	-62.7	97.5	152.4	-60.1	174.3	0	0	0	105.5	A77 V82	A77-I80 HydrophobicContact CB-CG1 3.77Å; A77-I80 PolarHBondContact O-N 2.65Å; I80-V82 HydrophobicContact CG2-CG2 4.08Å; I80-V82 PolarHBondContact O-N 3.1Å
81	Q	54.3	Low	62.9	Low	171 Å²	171	115 Å²	115	80%	0.799	61%	0.61	S	S	*	*			trans	-66.5	103.1	165	-93.5	-162.4	-13.4	0	0	107.5	G79 G83	G79-Q81 PolarHBondContact O-N 3.26Å; Q81-G83 VanDerWaalsContact C-N 3.34Å; Q81-G83 PolarHBondContact O-N 2.86Å; Q81-G83 VanDerWaalsContact O-N 3.17Å
82	V	56.1	Low	61.8	Low	124 Å²	124	118.2 Å²	118.2	75%	0.752	64%	0.638	S	S	*	*			trans	-76.9	94.3	160.8	-174.1	0	0	0	0	105.6	I80	I80-V82 HydrophobicContact CG2-CG2 4.08Å; I80-V82 PolarHBondContact O-N 3.1Å
83	G	59.6	Low	60.8	Low	43 Å²	43	121.8 Å²	121.8	44%	0.443	66%	0.66	S	S	.	*	S	Bend	trans	177.6	173.1	-171.8	0	0	0	0	0	113.1	Q81 L85	Q81-G83 VanDerWaalsContact C-N 3.34Å; Q81-G83 PolarHBondContact O-N 2.86Å; Q81-G83 VanDerWaalsContact O-N 3.17Å; G83-L85 PolarHBondContact O-N 3.32Å
84	M	56.7	Low	60.5	Low	126 Å²	126	121.5 Å²	121.5	62%	0.621	67%	0.667	S	S	*	*			trans	-51.3	118.2	-179.5	-68.7	-82.3	-63.3	0	0	111.6	H86 V93	M84-H86 PolarHBondContact O-N 2.9Å; M84-V93 HydrophobicContact CE-CB 4.19Å; M84-V93 HydrophobicContact CE-CG1 3.43Å; M84-V93 VanDerWaalsContact CE-CG1 3.43Å; M84-V93 HydrophobicContact CE-CG2 3.67Å; M84-V93 HydrophobicContact SD-CG1 3.59Å; M84-V93 VanDerWaalsContact SD-CG1 3.59Å
85	L	58.9	Low	60.9	Low	152 Å²	152	120.4 Å²	120.4	80%	0.796	66%	0.664	S	S	*	*			trans	-72.2	107.2	162.4	-171.6	79.2	0	0	0	107.5	G83 S87	G83-L85 PolarHBondContact O-N 3.32Å; L85-S87 PolarHBondContact O-N 3.27Å
86	H	57.6	Low	62.2	Low	159 Å²	159	115.6 Å²	115.6	74%	0.736	65%	0.645	S	S	*	*			trans	-82.3	109.3	171.4	-174.7	43.1	0	0	0	109.5	M84	M84-H86 PolarHBondContact O-N 2.9Å
87	S	63.2	Low	63.9	Low	35 Å²	35	112.9 Å²	112.9	25%	0.245	63%	0.63	C	S	.	*			trans	-102.2	119.9	163	173.9	0	0	0	0	108.5	L85 K89 Q90	L85-S87 PolarHBondContact O-N 3.27Å; S87-K89 PolarHBondContact O-N 3.05Å; S87-Q90 PolarHBondContact O-N 2.8Å
88	P	61.5	Low	65.5	Low	120 Å²	120	111.1 Å²	111.1	78%	0.779	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57	-23	177.9	-24	32.1	0	0	0	113.5
89	K	68.6	Low	67.6	Low	197 Å²	197	104.4 Å²	104.4	86%	0.857	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.7	-11.5	-179.8	-63.5	-172.4	179.8	-177.2	0	113.6	S87	S87-K89 PolarHBondContact O-N 3.05Å
90	Q	63.4	Low	69.6	Low	125 Å²	125	101.7 Å²	101.7	58%	0.584	55%	0.551	S	S	*	*			trans	-100.5	114.7	-178.4	-70.9	-179	-14.2	0	0	110.4	S87 A92	S87-Q90 PolarHBondContact O-N 2.8Å; Q90-A92 VanDerWaalsContact C-N 3.29Å
91	T	68	Low	71.5	Confident	154 Å²	154	99 Å²	99	95%	0.945	53%	0.533	S	S	*	.			trans	-81.1	-12.6	172.9	54.3	0	0	0	0	112.7
92	A	68.3	Low	73.6	Confident	76 Å²	76	91 Å²	91	63%	0.628	50%	0.496	S	S	*	.	P	Polyproline II helix	trans	-100.2	126.8	-178.9	0	0	0	0	0	110.9	Q90	Q90-A92 VanDerWaalsContact C-N 3.29Å
93	V	68.4	Low	75.6	Confident	90 Å²	90	88.6 Å²	88.6	55%	0.545	47%	0.473	S	S	.	.	P	Polyproline II helix	trans	-93.4	118.4	169.3	175.5	0	0	0	0	108.2	M84 L95	M84-V93 HydrophobicContact CE-CB 4.19Å; M84-V93 HydrophobicContact CE-CG1 3.43Å; M84-V93 VanDerWaalsContact CE-CG1 3.43Å; M84-V93 HydrophobicContact CE-CG2 3.67Å; M84-V93 HydrophobicContact SD-CG1 3.59Å; M84-V93 VanDerWaalsContact SD-CG1 3.59Å; V93-L95 HydrophobicContact CG1-CD2 4.4Å
94	M	72.5	Confident	77.3	Confident	147 Å²	147	86.9 Å²	86.9	72%	0.724	46%	0.456	S	S	*	.	P	Polyproline II helix	trans	-82.7	119.8	168.3	-169.8	171.1	68.8	0	0	108.9
95	L	78	Confident	79	Confident	75 Å²	75	86.3 Å²	86.3	39%	0.393	47%	0.471	S	S	.	.	P	Polyproline II helix	trans	-76.4	145.3	175.2	-64.5	174.4	0	0	0	110.6	V93 M97 L115 L188	V93-L95 HydrophobicContact CG1-CD2 4.4Å; L95-M97 HydrophobicContact CB-CG 4.24Å; L95-M97 PolarHBondContact O-N 2.71Å; L95-M97 VanDerWaalsContact O-N 3.15Å; L95-L115 HydrophobicContact CB-CD1 3.49Å; L95-L115 VanDerWaalsContact CB-CD1 3.49Å; L95-L115 HydrophobicContact CD1-CD1 3.7Å; L95-L115 HydrophobicContact CD1-CD2 4.23Å; L95-L115 HydrophobicContact CD2-CD1 4.33Å; L95-L115 HydrophobicContact CG-CD1 4.03Å; L95-L188 HydrophobicContact CD1-CD2 4.45Å
96	Q	84.7	Confident	80.4	Confident	105 Å²	105	83.9 Å²	83.9	49%	0.491	46%	0.459	S	S	.	.			trans	-67.3	113.1	171.3	-68.3	-175.6	-9.5	0	0	109.3	F116	Q96-F116 HydrophobicContact CB-CB 4.3Å; Q96-F116 PolarHBondContact O-N 3.13Å
97	M	87	Confident	82.1	Confident	41 Å²	41	78.8 Å²	78.8	20%	0.202	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	145.1	-175.7	-67.4	177.6	-72.3	0	0	111.1	L95 T113 C114 L115 L188	L95-M97 HydrophobicContact CB-CG 4.24Å; L95-M97 PolarHBondContact O-N 2.71Å; L95-M97 VanDerWaalsContact O-N 3.15Å; M97-T113 HydrophobicContact CB-CG2 4.24Å; M97-T113 HydrophobicContact CG-CG2 4.39Å; M97-T113 HydrophobicContact SD-CG2 4.22Å; M97-C114 VanDerWaalsContact CA-O 3.27Å; M97-C114 WeakPolarHBondContact CA-O 3.45Å; M97-L115 HydrophobicContact CG-CD1 4.27Å; M97-L188 HydrophobicContact SD-CD1 3.71Å; M97-L188 HydrophobicContact SD-CD2 4.07Å; M97-L188 HydrophobicContact SD-CG 4.33Å
98	V	90.6	Very high	83.6	Confident	30 Å²	30	79.1 Å²	79.1	18%	0.182	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	148.7	173.8	61.8	0	0	0	0	109.4	T113 C114 F116 A207	V98-T113 WeakPolarHBondContact O-CA 3.44Å; V98-C114 HydrophobicContact CG1-CB 3.65Å; V98-C114 PolarHBondContact N-O 3.22Å; V98-C114 PolarHBondContact O-N 3.37Å; V98-F116 HydrophobicContact CB-CE2 4.34Å; V98-F116 HydrophobicContact CB-CZ 4.44Å; V98-F116 HydrophobicContact CG1-CE1 4.05Å; V98-F116 HydrophobicContact CG1-CE2 3.78Å; V98-F116 HydrophobicContact CG1-CZ 3.47Å; V98-F116 VanDerWaalsContact CG1-CZ 3.47Å; V98-A207 CarbonylContact C-O 3.3Å; V98-A207 WeakPolarHBondContact CA-O 3.46Å; V98-A207 HydrophobicContact CB-CB 4.08Å; V98-A207 HydrophobicContact CG2-CB 3.88Å; V98-A207 VanDerWaalsContact CG2-O 3.31Å; V98-A207 WeakPolarHBondContact CG2-O 3.16Å
99	Q	92.8	Very high	85.3	Confident	23 Å²	23	75.6 Å²	75.6	11%	0.107	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	130.2	166.4	-66.3	-168.5	-59.6	0	0	110	I111 V112 I167 A207 A208 K209	Q99-I111 HydrophobicContact CB-CG2 4.42Å; Q99-V112 WeakPolarHBondContact CA-O 3.42Å; Q99-I167 HydrophobicContact CB-CD1 3.44Å; Q99-I167 VanDerWaalsContact CB-CD1 3.44Å; Q99-I167 HydrophobicContact CB-CG1 4.24Å; Q99-I167 HydrophobicContact CG-CD1 4.47Å; Q99-A207 PolarHBondContact N-O 3.4Å; Q99-A208 HydrophobicContact CG-CB 4.27Å; Q99-K209 VanDerWaalsContact OE1-CG 3.29Å
100	A	95.2	Very high	86.6	Confident	8 Å²	8	68.7 Å²	68.7	7%	0.066	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	154.7	178.4	0	0	0	0	0	110	I111 V112 L164	A100-I111 WeakPolarHBondContact O-CA 3.38Å; A100-V112 HydrophobicContact CB-CG2 4.36Å; A100-V112 PolarHBondContact N-O 3.28Å; A100-V112 WeakPolarHBondContact O-CG2 3.18Å; A100-V112 PolarHBondContact O-N 3.48Å; A100-L164 HydrophobicContact CB-CB 4.37Å; A100-L164 HydrophobicContact CB-CD1 4.26Å; A100-L164 HydrophobicContact CB-CD2 4.18Å
101	R	96.7	Very high	88.1	Confident	79 Å²	79	66.3 Å²	66.3	30%	0.298	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	118.1	168.5	-173.5	173.9	-70.8	-85.8	1.4	108.5	Y103 S109 L164 R165 I167	R101-Y103 HydrophobicContact CB-CE2 3.98Å; R101-Y103 WeakPolarHBondContact CD-OH 3.12Å; R101-Y103 HydrophobicContact CG-CD2 4.02Å; R101-Y103 HydrophobicContact CG-CE2 3.43Å; R101-Y103 VanDerWaalsContact CG-CE2 3.43Å; R101-S109 PolarHBondContact NH1-OG 3.46Å; R101-L164 CarbonylContact O-C 3.48Å; R101-L164 WeakPolarHBondContact O-CA 3.1Å; R101-R165 PolarHBondContact N-O 3.15Å; R101-R165 PolarHBondContact O-N 3.27Å; R101-I167 HydrophobicContact CB-CG2 3.84Å; R101-I167 VanDerWaalsContact N-CG2 3.32Å
102	L	98	Very high	89.4	Confident	3 Å²	3	59.7 Å²	59.7	2%	0.016	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	130.2	173.8	-175.8	154.5	0	0	0	109.2	S109 V110 V112 I125 I129 M133 L135 F162 T163 L164	L102-S109 CarbonylContact O-C 3.5Å; L102-S109 WeakPolarHBondContact O-CA 3.07Å; L102-S109 WeakPolarHBondContact O-CB 3.1Å; L102-V110 HydrophobicContact CB-CG1 4.2Å; L102-V110 HydrophobicContact CD2-CG1 4.36Å; L102-V110 PolarHBondContact N-O 3.45Å; L102-V110 PolarHBondContact O-N 3.22Å; L102-V112 HydrophobicContact CB-CG1 3.92Å; L102-V112 HydrophobicContact CB-CG2 4.07Å; L102-V112 HydrophobicContact CD1-CG1 4.2Å; L102-I125 HydrophobicContact CD1-CD1 3.71Å; L102-I129 HydrophobicContact CD1-CG2 4.39Å; L102-M133 HydrophobicContact CD2-CE 3.82Å; L102-M133 HydrophobicContact CD2-CG 4.09Å; L102-L135 HydrophobicContact CD2-CD1 4.43Å; L102-F162 HydrophobicContact CD1-CB 4.39Å; L102-F162 HydrophobicContact CD1-CD1 4.32Å; L102-F162 HydrophobicContact CD1-CD2 3.49Å; L102-F162 VanDerWaalsContact CD1-CD2 3.49Å; L102-F162 HydrophobicContact CD1-CE2 3.74Å; L102-F162 HydrophobicContact CD1-CG 3.81Å; L102-F162 HydrophobicContact CD1-CZ 4.26Å; L102-F162 HydrophobicContact CD2-CB 4.1Å; L102-F162 HydrophobicContact CD2-CG 4.4Å; L102-F162 HydrophobicContact CG-CB 4.08Å; L102-F162 HydrophobicContact CG-CD2 3.65Å; L102-F162 HydrophobicContact CG-CE2 4.33Å; L102-F162 HydrophobicContact CG-CG 3.97Å; L102-T163 CarbonylContact C-O 3.54Å; L102-T163 WeakPolarHBondContact CA-O 3.32Å; L102-L164 HydrophobicContact CB-CD2 3.81Å; L102-L164 HydrophobicContact CD1-CD2 4.29Å; L102-L164 HydrophobicContact CG-CD2 4.14Å
103	Y	97.5	Very high	90.6	Very high	72 Å²	72	57.7 Å²	57.7	28%	0.282	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	131.3	174.2	-71.4	-96.4	0	0	0	110.8	R101 A108 F162 T163 R165	R101-Y103 HydrophobicContact CB-CE2 3.98Å; R101-Y103 WeakPolarHBondContact CD-OH 3.12Å; R101-Y103 HydrophobicContact CG-CD2 4.02Å; R101-Y103 HydrophobicContact CG-CE2 3.43Å; R101-Y103 VanDerWaalsContact CG-CE2 3.43Å; Y103-A108 WeakPolarHBondContact CA-O 2.94Å; Y103-F162 WeakPolarHBondContact O-CB 3.5Å; Y103-T163 PolarHBondContact N-O 3.37Å; Y103-T163 PolarHBondContact O-N 2.88Å; Y103-T163 VanDerWaalsContact O-N 3.15Å; Y103-R165 HydrophobicContact CD2-CG 4.29Å; Y103-R165 HydrophobicContact CE2-CB 4.11Å; Y103-R165 HydrophobicContact CE2-CG 4.06Å
104	G	95.5	Very high	91.8	Very high	8 Å²	8	54.5 Å²	54.5	8%	0.082	32%	0.318	C	S	.	.			trans	-87.5	167.9	168.6	0	0	0	0	0	112.1	N106 G107 A108	G104-N106 PolarHBondContact O-N 3.27Å; G104-G107 PolarHBondContact O-N 3.26Å; G104-A108 PolarHBondContact N-O 3.39Å
105	A	91.6	Very high	92.8	Very high	113 Å²	113	50.2 Å²	50.2	93%	0.934	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-22.5	179.7	0	0	0	0	0	113.9	G107	A105-G107 PolarHBondContact O-N 3.4Å
106	N	90.4	Very high	93.4	Very high	101 Å²	101	52.8 Å²	52.8	54%	0.54	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	6.1	175.8	65.7	-8.6	0	0	0	113.8	G104 A108	G104-N106 PolarHBondContact O-N 3.27Å; N106-A108 PolarHBondContact O-N 3.21Å; N106-A108 WeakPolarHBondContact OD1-CB 3.43Å; N106-A108 PolarHBondContact OD1-N 2.8Å
107	G	91.9	Very high	93.5	Very high	53 Å²	53	52.4 Å²	52.4	55%	0.546	31%	0.308	S	S	.	.	S	Bend	trans	77.1	-7.6	-176.7	0	0	0	0	0	114.9	G104 A105	G104-G107 PolarHBondContact O-N 3.26Å; A105-G107 PolarHBondContact O-N 3.4Å
108	A	94.8	Very high	93.4	Very high	41 Å²	41	56 Å²	56	34%	0.339	34%	0.344	S	S	.	.			trans	-61.5	147.6	172.5	0	0	0	0	0	109.8	Y103 G104 N106 M133	Y103-A108 WeakPolarHBondContact CA-O 2.94Å; G104-A108 PolarHBondContact N-O 3.39Å; N106-A108 PolarHBondContact O-N 3.21Å; N106-A108 WeakPolarHBondContact OD1-CB 3.43Å; N106-A108 PolarHBondContact OD1-N 2.8Å; A108-M133 HydrophobicContact CB-CE 4.1Å; A108-M133 WeakPolarHBondContact O-CE 3.28Å
109	S	96.9	Very high	93.3	Very high	47 Å²	47	57.8 Å²	57.8	33%	0.329	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	151.9	178	76.1	0	0	0	0	113.7	R101 L102	R101-S109 PolarHBondContact NH1-OG 3.46Å; L102-S109 CarbonylContact O-C 3.5Å; L102-S109 WeakPolarHBondContact O-CA 3.07Å; L102-S109 WeakPolarHBondContact O-CB 3.1Å
110	V	97	Very high	93.2	Very high	52 Å²	52	58.9 Å²	58.9	32%	0.315	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	143.7	175.7	66.1	0	0	0	0	110.1	L102 V112 I129 M133	L102-V110 HydrophobicContact CB-CG1 4.2Å; L102-V110 HydrophobicContact CD2-CG1 4.36Å; L102-V110 PolarHBondContact N-O 3.45Å; L102-V110 PolarHBondContact O-N 3.22Å; V110-V112 HydrophobicContact CG1-CG1 3.91Å; V110-I129 HydrophobicContact CG1-CG2 4.23Å; V110-M133 HydrophobicContact CB-SD 3.82Å; V110-M133 HydrophobicContact CG1-CE 4.12Å; V110-M133 HydrophobicContact CG1-CG 3.8Å; V110-M133 HydrophobicContact CG1-SD 3.53Å; V110-M133 VanDerWaalsContact CG1-SD 3.53Å
111	I	95	Very high	93	Very high	74 Å²	74	68 Å²	68	38%	0.379	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	125.3	171.8	-61.2	177.4	0	0	0	108.3	Q99 A100 I167	Q99-I111 HydrophobicContact CB-CG2 4.42Å; A100-I111 WeakPolarHBondContact O-CA 3.38Å; I111-I167 HydrophobicContact CG2-CD1 4.36Å
112	V	95	Very high	92.8	Very high	15 Å²	15	70.2 Å²	70.2	9%	0.091	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	155.2	178	-60.8	0	0	0	0	110.4	Q99 A100 L102 V110 I129 L164	Q99-V112 WeakPolarHBondContact CA-O 3.42Å; A100-V112 HydrophobicContact CB-CG2 4.36Å; A100-V112 PolarHBondContact N-O 3.28Å; A100-V112 WeakPolarHBondContact O-CG2 3.18Å; A100-V112 PolarHBondContact O-N 3.48Å; L102-V112 HydrophobicContact CB-CG1 3.92Å; L102-V112 HydrophobicContact CB-CG2 4.07Å; L102-V112 HydrophobicContact CD1-CG1 4.2Å; V110-V112 HydrophobicContact CG1-CG1 3.91Å; V112-I129 HydrophobicContact CG1-CD1 4.09Å; V112-I129 HydrophobicContact CG1-CG2 4.12Å; V112-L164 HydrophobicContact CG2-CD2 4.16Å
113	T	93.5	Very high	92.8	Very high	35 Å²	35	72.6 Å²	72.6	22%	0.215	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	122	165.3	-57.3	0	0	0	0	107.6	M97 V98 L188	M97-T113 HydrophobicContact CB-CG2 4.24Å; M97-T113 HydrophobicContact CG-CG2 4.39Å; M97-T113 HydrophobicContact SD-CG2 4.22Å; V98-T113 WeakPolarHBondContact O-CA 3.44Å; T113-L188 HydrophobicContact CG2-CD1 3.85Å
114	C	94.1	Very high	92.7	Very high	22 Å²	22	72 Å²	72	15%	0.149	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	132.5	175	-55.5	0	0	0	0	108.7	M97 V98	M97-C114 VanDerWaalsContact CA-O 3.27Å; M97-C114 WeakPolarHBondContact CA-O 3.45Å; V98-C114 HydrophobicContact CG1-CB 3.65Å; V98-C114 PolarHBondContact N-O 3.22Å; V98-C114 PolarHBondContact O-N 3.37Å
115	L	92.1	Very high	92.8	Very high	57 Å²	57	72 Å²	72	30%	0.298	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	122.6	170.5	173.2	63.1	0	0	0	107.8	L95 M97	L95-L115 HydrophobicContact CB-CD1 3.49Å; L95-L115 VanDerWaalsContact CB-CD1 3.49Å; L95-L115 HydrophobicContact CD1-CD1 3.7Å; L95-L115 HydrophobicContact CD1-CD2 4.23Å; L95-L115 HydrophobicContact CD2-CD1 4.33Å; L95-L115 HydrophobicContact CG-CD1 4.03Å; M97-L115 HydrophobicContact CG-CD1 4.27Å
116	F	90.1	Very high	93	Very high	129 Å²	129	67.7 Å²	67.7	57%	0.566	40%	0.404	S	S	*	.	P	Polyproline II helix	trans	-88.2	121.1	170.4	-65.5	-33.3	0	0	0	109.4	Q96 V98	Q96-F116 HydrophobicContact CB-CB 4.3Å; Q96-F116 PolarHBondContact O-N 3.13Å; V98-F116 HydrophobicContact CB-CE2 4.34Å; V98-F116 HydrophobicContact CB-CZ 4.44Å; V98-F116 HydrophobicContact CG1-CE1 4.05Å; V98-F116 HydrophobicContact CG1-CE2 3.78Å; V98-F116 HydrophobicContact CG1-CZ 3.47Å; V98-F116 VanDerWaalsContact CG1-CZ 3.47Å
117	D	88.7	Confident	93.3	Very high	98 Å²	98	68 Å²	68	52%	0.524	40%	0.401	S	S	.	.			trans	-131.4	106.1	-178.1	-176.6	9.5	0	0	0	109.5	G119 S120	D117-G119 PolarHBondContact O-N 3.44Å; D117-G119 WeakPolarHBondContact OD1-CA 3.16Å; D117-G119 PolarHBondContact OD1-N 3.43Å; D117-S120 PolarHBondContact O-N 3.11Å
118	A	85	Confident	93.5	Very high	116 Å²	116	71.6 Å²	71.6	96%	0.959	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-15	174.9	0	0	0	0	0	112.5	S120	A118-S120 VanDerWaalsContact C-N 3.31Å
119	G	86.7	Confident	93.6	Very high	67 Å²	67	71.1 Å²	71.1	69%	0.691	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-4.4	175.7	0	0	0	0	0	114.3	D117	D117-G119 PolarHBondContact O-N 3.44Å; D117-G119 WeakPolarHBondContact OD1-CA 3.16Å; D117-G119 PolarHBondContact OD1-N 3.43Å
120	S	90.7	Very high	93.6	Very high	46 Å²	46	68.9 Å²	68.9	32%	0.322	37%	0.374	S	S	.	.			trans	-101.7	130.8	-178.5	-169.9	0	0	0	0	112.9	D117 A118 R122 F124	D117-S120 PolarHBondContact O-N 3.11Å; A118-S120 VanDerWaalsContact C-N 3.31Å; S120-R122 VanDerWaalsContact C-N 3.34Å; S120-R122 PolarHBondContact OG-N 3.17Å; S120-R122 PolarHBondContact OG-O 3.28Å; S120-F124 WeakPolarHBondContact OG-CE2 3.41Å
121	Q	91.4	Very high	93.6	Very high	200 Å²	200	69.6 Å²	69.6	94%	0.935	38%	0.376	S	S	*	.	S	Bend	trans	-83.6	-9.3	173.6	-62.6	177.8	-55.3	0	0	113.3
122	R	94	Very high	93.6	Very high	125 Å²	125	71.5 Å²	71.5	47%	0.472	39%	0.387	S	S	.	.	S	Bend	trans	-137.9	156.4	-178.3	-68.6	-174.3	176.6	-135.4	0.8	111.2	S120 F124 E140 V142	S120-R122 VanDerWaalsContact C-N 3.34Å; S120-R122 PolarHBondContact OG-N 3.17Å; S120-R122 PolarHBondContact OG-O 3.28Å; R122-F124 HydrophobicContact CB-CE2 4.09Å; R122-F124 HydrophobicContact CB-CZ 4.04Å; R122-E140 IonicContact CZ-OE2 3.94Å; R122-E140 IonicContact NH1-OE1 3.44Å; R122-E140 PolarHBondContact NH1-OE1 3.45Å; R122-E140 IonicContact NH1-OE2 3.1Å; R122-E140 PolarHBondContact NH1-OE2 2.99Å; R122-V142 VanDerWaalsContact NH1-CG1 3.34Å
123	S	96.6	Very high	93.7	Very high	53 Å²	53	71.5 Å²	71.5	37%	0.371	39%	0.386	S	S	.	.			trans	-86.4	143.7	166.8	-68.9	0	0	0	0	110.3	M176 E177 A178 S179	S123-M176 WeakPolarHBondContact OG-CE 3.33Å; S123-E177 WeakPolarHBondContact CB-O 3.3Å; S123-A178 CarbonylContact O-C 3.57Å; S123-A178 VanDerWaalsContact O-CA 3.23Å; S123-A178 WeakPolarHBondContact O-CA 3.25Å; S123-A178 WeakPolarHBondContact O-CB 3.15Å; S123-S179 PolarHBondContact O-N 2.99Å
124	F	96.6	Very high	93.8	Very high	60 Å²	60	78.9 Å²	78.9	26%	0.263	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	149.1	179.8	-64.4	-82	0	0	0	111	S120 R122 I144 S179 V181 I184	S120-F124 WeakPolarHBondContact OG-CE2 3.41Å; R122-F124 HydrophobicContact CB-CE2 4.09Å; R122-F124 HydrophobicContact CB-CZ 4.04Å; F124-I144 HydrophobicContact CE1-CD1 3.77Å; F124-I144 HydrophobicContact CE1-CG1 4.15Å; F124-I144 HydrophobicContact CZ-CD1 4.31Å; F124-I144 HydrophobicContact CZ-CG1 4.3Å; F124-S179 WeakPolarHBondContact CA-O 3.49Å; F124-V181 HydrophobicContact CB-CG2 4.12Å; F124-V181 HydrophobicContact CD1-CG1 3.7Å; F124-V181 HydrophobicContact CD1-CG2 4.24Å; F124-V181 HydrophobicContact CE1-CG1 4.14Å; F124-I184 HydrophobicContact CB-CD1 3.97Å; F124-I184 HydrophobicContact CB-CG1 4.12Å
125	I	97.4	Very high	94	Very high	9 Å²	9	78.1 Å²	78.1	5%	0.046	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	137.4	174.1	-174.2	169.4	0	0	0	110.1	L102 K127 I129 A130 L135 V160 F162 A178 S179 C180 V181	L102-I125 HydrophobicContact CD1-CD1 3.71Å; I125-K127 PolarHBondContact O-N 2.72Å; I125-I129 HydrophobicContact CD1-CB 4.44Å; I125-I129 HydrophobicContact CD1-CG2 4.03Å; I125-I129 HydrophobicContact CG1-CB 4.27Å; I125-I129 HydrophobicContact CG1-CG2 4.34Å; I125-A130 HydrophobicContact CD1-CB 4.34Å; I125-A130 HydrophobicContact CG2-CB 4.33Å; I125-L135 HydrophobicContact CD1-CD1 3.79Å; I125-V160 HydrophobicContact CG2-CG2 3.57Å; I125-F162 HydrophobicContact CB-CE1 4.39Å; I125-F162 HydrophobicContact CD1-CD1 4.14Å; I125-F162 HydrophobicContact CD1-CE1 3.82Å; I125-F162 HydrophobicContact CD1-CZ 4.28Å; I125-A178 HydrophobicContact CB-CB 4.05Å; I125-A178 HydrophobicContact CG2-CB 3.88Å; I125-S179 PolarHBondContact N-O 3.27Å; I125-S179 VanDerWaalsContact N-O 3.16Å; I125-C180 HydrophobicContact CG2-CB 4.19Å; I125-C180 WeakPolarHBondContact O-CA 3.45Å; I125-V181 PolarHBondContact O-N 3.34Å
126	C	96	Very high	94.1	Very high	21 Å²	21	82.2 Å²	82.2	14%	0.142	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	131.7	175.7	-71.4	0	0	0	0	110.4	R128 I129 A130 V181	C126-R128 PolarHBondContact O-N 3.15Å; C126-I129 HydrophobicContact CB-CD1 4.16Å; C126-I129 HydrophobicContact CB-CG1 4.18Å; C126-I129 PolarHBondContact O-N 3.4Å; C126-A130 PolarHBondContact O-N 3.01Å; C126-V181 CarbonylContact C-O 3.58Å; C126-V181 WeakPolarHBondContact CA-O 3.05Å
127	K	96.3	Very high	94.3	Very high	109 Å²	109	77.7 Å²	77.7	47%	0.474	41%	0.412	S	S	.	.	H	α-helix	trans	-52.1	-42.7	179	-177.3	176.2	178.6	-175.2	0	112.7	I125 I129 A130 D131 C180 V181	I125-K127 PolarHBondContact O-N 2.72Å; K127-I129 VanDerWaalsContact C-N 3.31Å; K127-I129 PolarHBondContact O-N 3.4Å; K127-A130 PolarHBondContact O-N 3.47Å; K127-D131 VanDerWaalsContact CE-OD2 3.23Å; K127-D131 WeakPolarHBondContact CE-OD2 3.38Å; K127-D131 VanDerWaalsContact CG-OD2 3.24Å; K127-D131 WeakPolarHBondContact CG-OD2 3.5Å; K127-D131 WeakPolarHBondContact O-CB 3.17Å; K127-D131 VanDerWaalsContact O-CG 3.3Å; K127-D131 PolarHBondContact O-N 2.94Å; K127-C180 WeakPolarHBondContact CA-SG 3.36Å; K127-V181 WeakPolarHBondContact CB-O 3.5Å; K127-V181 PolarHBondContact N-O 2.68Å
128	R	96	Very high	94.7	Very high	127 Å²	127	79.5 Å²	79.5	48%	0.479	42%	0.422	S	S	.	.	H	α-helix	trans	-53.7	-44.3	174.1	-175.6	178.9	65.6	81.7	-3.9	113	C126 N132 R216	C126-R128 PolarHBondContact O-N 3.15Å; R128-N132 VanDerWaalsContact O-CB 3.24Å; R128-N132 WeakPolarHBondContact O-CB 3.27Å; R128-N132 PolarHBondContact O-N 3.26Å; R128-N132 PolarHBondContact O-OD1 3.01Å; R128-R216 PolarHBondContact NH2-O 3.39Å
129	I	96.6	Very high	95.3	Very high	32 Å²	32	77.2 Å²	77.2	16%	0.164	40%	0.396	C	S	.	.	H	α-helix	trans	-70.4	-47.3	-180	-61.8	175.3	0	0	0	109.5	L102 V110 V112 I125 C126 K127 D131 N132 M133	L102-I129 HydrophobicContact CD1-CG2 4.39Å; V110-I129 HydrophobicContact CG1-CG2 4.23Å; V112-I129 HydrophobicContact CG1-CD1 4.09Å; V112-I129 HydrophobicContact CG1-CG2 4.12Å; I125-I129 HydrophobicContact CD1-CB 4.44Å; I125-I129 HydrophobicContact CD1-CG2 4.03Å; I125-I129 HydrophobicContact CG1-CB 4.27Å; I125-I129 HydrophobicContact CG1-CG2 4.34Å; C126-I129 HydrophobicContact CB-CD1 4.16Å; C126-I129 HydrophobicContact CB-CG1 4.18Å; C126-I129 PolarHBondContact O-N 3.4Å; K127-I129 VanDerWaalsContact C-N 3.31Å; K127-I129 PolarHBondContact O-N 3.4Å; I129-D131 VanDerWaalsContact C-N 3.35Å; I129-D131 PolarHBondContact O-N 2.89Å; I129-N132 PolarHBondContact O-N 3.19Å; I129-M133 HydrophobicContact CG2-CG 4.27Å; I129-M133 VanDerWaalsContact O-CB 3.27Å; I129-M133 WeakPolarHBondContact O-CB 3.01Å; I129-M133 WeakPolarHBondContact O-CG 3.33Å; I129-M133 PolarHBondContact O-N 3.28Å
130	A	97.1	Very high	95.7	Very high	0 Å²	0	76 Å²	76	0%	0	37%	0.372	C	S	.	.	H	α-helix	trans	-61.3	-41.6	-179.8	0	0	0	0	0	112.7	I125 C126 K127 M133 R134 L135 C180	I125-A130 HydrophobicContact CD1-CB 4.34Å; I125-A130 HydrophobicContact CG2-CB 4.33Å; C126-A130 PolarHBondContact O-N 3.01Å; K127-A130 PolarHBondContact O-N 3.47Å; A130-M133 CarbonylContact O-C 3.49Å; A130-R134 PolarHBondContact O-N 3.5Å; A130-L135 HydrophobicContact CB-CB 4.43Å; A130-L135 HydrophobicContact CB-CD1 4.27Å; A130-L135 PolarHBondContact O-N 2.6Å; A130-C180 WeakPolarHBondContact CB-SG 3.46Å
131	D	96.6	Very high	95.9	Very high	66 Å²	66	78.7 Å²	78.7	35%	0.353	39%	0.389	S	S	.	.	H	α-helix	trans	-68.8	-45.9	177.8	-70.4	-17.7	0	0	0	111.5	K127 I129 M133 R134 R158	K127-D131 VanDerWaalsContact CE-OD2 3.23Å; K127-D131 WeakPolarHBondContact CE-OD2 3.38Å; K127-D131 VanDerWaalsContact CG-OD2 3.24Å; K127-D131 WeakPolarHBondContact CG-OD2 3.5Å; K127-D131 WeakPolarHBondContact O-CB 3.17Å; K127-D131 VanDerWaalsContact O-CG 3.3Å; K127-D131 PolarHBondContact O-N 2.94Å; I129-D131 VanDerWaalsContact C-N 3.35Å; I129-D131 PolarHBondContact O-N 2.89Å; D131-M133 PolarHBondContact O-N 2.9Å; D131-R134 WeakPolarHBondContact O-CA 3.16Å; D131-R134 PolarHBondContact O-N 3.28Å; D131-R158 IonicContact OD1-CZ 2.76Å; D131-R158 IonicContact OD1-NH1 3.64Å; D131-R158 IonicContact OD1-NH2 3.91Å; D131-R158 PolarHBondContact OD1-NH2 3.42Å
132	N	96	Very high	96	Very high	114 Å²	114	69.6 Å²	69.6	61%	0.61	35%	0.348	S	S	*	.	H	α-helix	trans	-60	-37.4	176.4	-73.8	3.1	0	0	0	112	R128 I129 R134	R128-N132 VanDerWaalsContact O-CB 3.24Å; R128-N132 WeakPolarHBondContact O-CB 3.27Å; R128-N132 PolarHBondContact O-N 3.26Å; R128-N132 PolarHBondContact O-OD1 3.01Å; I129-N132 PolarHBondContact O-N 3.19Å; N132-R134 VanDerWaalsContact C-N 3.25Å
133	M	96.5	Very high	95.9	Very high	16 Å²	16	67 Å²	67	8%	0.079	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	1	176.8	-64.5	-61.1	-67.3	0	0	113	L102 A108 V110 I129 A130 D131 L135	L102-M133 HydrophobicContact CD2-CE 3.82Å; L102-M133 HydrophobicContact CD2-CG 4.09Å; A108-M133 HydrophobicContact CB-CE 4.1Å; A108-M133 WeakPolarHBondContact O-CE 3.28Å; V110-M133 HydrophobicContact CB-SD 3.82Å; V110-M133 HydrophobicContact CG1-CE 4.12Å; V110-M133 HydrophobicContact CG1-CG 3.8Å; V110-M133 HydrophobicContact CG1-SD 3.53Å; V110-M133 VanDerWaalsContact CG1-SD 3.53Å; I129-M133 HydrophobicContact CG2-CG 4.27Å; I129-M133 VanDerWaalsContact O-CB 3.27Å; I129-M133 WeakPolarHBondContact O-CB 3.01Å; I129-M133 WeakPolarHBondContact O-CG 3.33Å; I129-M133 PolarHBondContact O-N 3.28Å; A130-M133 CarbonylContact O-C 3.49Å; D131-M133 PolarHBondContact O-N 2.9Å; M133-L135 HydrophobicContact CB-CD1 4.36Å; M133-L135 HydrophobicContact CB-CD2 3.97Å; M133-L135 HydrophobicContact CB-CG 3.77Å; M133-L135 PolarHBondContact O-N 3.23Å; M133-L135 VanDerWaalsContact O-N 3.14Å
134	R	96.2	Very high	95.7	Very high	189 Å²	189	67.4 Å²	67.4	71%	0.713	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.3	35.4	-178.7	-55.1	-179.3	-176.3	-179.3	0.2	113.1	A130 D131 N132 Q136	A130-R134 PolarHBondContact O-N 3.5Å; D131-R134 WeakPolarHBondContact O-CA 3.16Å; D131-R134 PolarHBondContact O-N 3.28Å; N132-R134 VanDerWaalsContact C-N 3.25Å; R134-Q136 PolarHBondContact O-N 2.99Å; R134-Q136 PolarHBondContact O-NE2 3.37Å
135	L	96.9	Very high	95.4	Very high	6 Å²	6	71.5 Å²	71.5	3%	0.031	36%	0.363	C	S	.	.			trans	-68.3	123.6	-178.5	-57	-179.4	0	0	0	109.7	L102 I125 A130 M133 R158 V160 F162	L102-L135 HydrophobicContact CD2-CD1 4.43Å; I125-L135 HydrophobicContact CD1-CD1 3.79Å; A130-L135 HydrophobicContact CB-CB 4.43Å; A130-L135 HydrophobicContact CB-CD1 4.27Å; A130-L135 PolarHBondContact O-N 2.6Å; M133-L135 HydrophobicContact CB-CD1 4.36Å; M133-L135 HydrophobicContact CB-CD2 3.97Å; M133-L135 HydrophobicContact CB-CG 3.77Å; M133-L135 PolarHBondContact O-N 3.23Å; M133-L135 VanDerWaalsContact O-N 3.14Å; L135-R158 PolarHBondContact O-NE 2.67Å; L135-R158 VanDerWaalsContact O-NE 3.15Å; L135-R158 PolarHBondContact O-NH2 3.32Å; L135-V160 HydrophobicContact CB-CB 3.83Å; L135-V160 HydrophobicContact CB-CG1 3.85Å; L135-V160 HydrophobicContact CB-CG2 4.29Å; L135-V160 HydrophobicContact CD1-CB 4.35Å; L135-V160 HydrophobicContact CD1-CG2 3.99Å; L135-F162 HydrophobicContact CD1-CB 4.19Å; L135-F162 HydrophobicContact CD1-CD1 3.93Å; L135-F162 HydrophobicContact CD1-CG 4.37Å; L135-F162 HydrophobicContact CD2-CB 4.37Å
136	Q	94.5	Very high	94.9	Very high	143 Å²	143	73.9 Å²	73.9	67%	0.668	38%	0.384	S	S	*	.			trans	-96.3	158.5	-179.9	-59.5	-58.4	-22.5	0	0	111.3	R134	R134-Q136 PolarHBondContact O-N 2.99Å; R134-Q136 PolarHBondContact O-NE2 3.37Å
137	G	95.4	Very high	94.4	Very high	34 Å²	34	83.2 Å²	83.2	35%	0.351	42%	0.422	S	S	.	.			trans	162.5	177	169.6	0	0	0	0	0	112.9	R158 R159	G137-R158 WeakPolarHBondContact O-CG 3.19Å; G137-R159 CarbonylContact C-O 3.58Å; G137-R159 VanDerWaalsContact CA-O 3.23Å; G137-R159 WeakPolarHBondContact CA-O 3.47Å
138	N	96.2	Very high	93.8	Very high	137 Å²	137	81.6 Å²	81.6	73%	0.733	44%	0.436	S	S	*	.			trans	-75.6	150.9	-171.9	-66.1	-18	0	0	0	111.3	R158 R159	N138-R158 CarbonylContact O-C 3.58Å; N138-R159 PolarHBondContact N-O 3.21Å; N138-R159 PolarHBondContact O-N 3.2Å
139	T	96.7	Very high	93.3	Very high	67 Å²	67	77.9 Å²	77.9	41%	0.411	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	127.1	175.7	-57.6	0	0	0	0	110.5	R156 C157	T139-R156 HydrophobicContact CG2-CG 3.15Å; T139-R156 VanDerWaalsContact CG2-CZ 3.44Å; T139-C157 CarbonylContact C-O 3.55Å; T139-C157 WeakPolarHBondContact CA-O 3.24Å
140	E	95.4	Very high	92.5	Very high	42 Å²	42	88.2 Å²	88.2	20%	0.196	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	153.8	177.1	53.7	173	-174.2	0	0	110.5	R122 V142 R156 C157 R159 S179	R122-E140 IonicContact CZ-OE2 3.94Å; R122-E140 IonicContact NH1-OE1 3.44Å; R122-E140 PolarHBondContact NH1-OE1 3.45Å; R122-E140 IonicContact NH1-OE2 3.1Å; R122-E140 PolarHBondContact NH1-OE2 2.99Å; E140-V142 HydrophobicContact CB-CG1 4.5Å; E140-V142 HydrophobicContact CG-CG1 3.87Å; E140-R156 CarbonylContact O-C 3.6Å; E140-R156 WeakPolarHBondContact O-CA 3.49Å; E140-C157 HydrophobicContact CG-CB 4.46Å; E140-C157 WeakPolarHBondContact CG-O 3.4Å; E140-C157 PolarHBondContact N-O 2.94Å; E140-C157 PolarHBondContact O-N 3.34Å; E140-R159 HydrophobicContact CG-CB 4.29Å; E140-S179 PolarHBondContact OE1-OG 3.38Å
141	C	95.1	Very high	91.6	Very high	102 Å²	102	94.9 Å²	94.9	69%	0.689	50%	0.502	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.4	118.8	167.5	-73.4	0	0	0	0	108.6
142	V	92.9	Very high	91	Very high	10 Å²	10	93.2 Å²	93.2	6%	0.061	50%	0.497	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	136.9	179.2	-61.2	0	0	0	0	110.1	R122 E140 I144 T155 C157	R122-V142 VanDerWaalsContact NH1-CG1 3.34Å; E140-V142 HydrophobicContact CB-CG1 4.5Å; E140-V142 HydrophobicContact CG-CG1 3.87Å; V142-I144 HydrophobicContact CG2-CD1 4.34Å; V142-I144 HydrophobicContact CG2-CG1 4.14Å; V142-T155 PolarHBondContact N-O 3.04Å; V142-T155 PolarHBondContact O-N 3.23Å; V142-C157 HydrophobicContact CG2-CB 3.93Å; V142-C157 VanDerWaalsContact CG2-SG 3.51Å
143	T	92.8	Very high	90.4	Very high	71 Å²	71	95.2 Å²	95.2	44%	0.436	50%	0.501	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	118.7	171.7	-58.5	0	0	0	0	108.2	H145 A152	T143-H145 WeakPolarHBondContact CG2-NE2 3.34Å; T143-A152 HydrophobicContact CG2-CB 3.52Å
144	I	91.5	Very high	90.1	Very high	60 Å²	60	99.2 Å²	99.2	31%	0.308	53%	0.528	S	S	.	.			trans	-101.2	116.7	-177.1	-57.6	172.3	0	0	0	108.5	F124 V142 A152 V181	F124-I144 HydrophobicContact CE1-CD1 3.77Å; F124-I144 HydrophobicContact CE1-CG1 4.15Å; F124-I144 HydrophobicContact CZ-CD1 4.31Å; F124-I144 HydrophobicContact CZ-CG1 4.3Å; V142-I144 HydrophobicContact CG2-CD1 4.34Å; V142-I144 HydrophobicContact CG2-CG1 4.14Å; I144-A152 WeakPolarHBondContact O-CB 3.39Å; I144-V181 HydrophobicContact CD1-CG1 3.78Å
145	H	90.7	Very high	89.9	Confident	147 Å²	147	92.4 Å²	92.4	68%	0.681	51%	0.507	S	S	*	.			trans	-98.6	108	174.7	-63.2	-94.1	0	0	0	108.9	T143 A152	T143-H145 WeakPolarHBondContact CG2-NE2 3.34Å; H145-A152 VanDerWaalsContact CE1-CB 3.47Å; H145-A152 WeakPolarHBondContact CE1-CB 3.44Å; H145-A152 WeakPolarHBondContact ND1-CB 3.33Å
146	A	88.4	Confident	89.8	Confident	58 Å²	58	101.3 Å²	101.3	48%	0.479	54%	0.54	S	S	.	.			trans	-89.2	152.3	175.9	0	0	0	0	0	110.9	G148 S149	A146-G148 PolarHBondContact O-N 3.44Å; A146-S149 PolarHBondContact N-OG 3.13Å; A146-S149 PolarHBondContact O-N 3.05Å; A146-S149 PolarHBondContact O-OG 3.15Å
147	F	83.5	Confident	89.8	Confident	217 Å²	217	94.5 Å²	94.5	95%	0.952	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	126.4	176.1	-178.3	-95	0	0	0	110.7	S149	F147-S149 PolarHBondContact O-N 3.22Å
148	G	84.5	Confident	89.9	Confident	75 Å²	75	95.7 Å²	95.7	77%	0.773	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.3	-4.9	-179.2	0	0	0	0	0	115.9	A146	A146-G148 PolarHBondContact O-N 3.44Å
149	S	85.6	Confident	90	Very high	49 Å²	49	94.3 Å²	94.3	34%	0.343	49%	0.487	S	S	.	.			trans	-84	120.7	178.1	73.4	0	0	0	0	111.1	A146 F147 L151	A146-S149 PolarHBondContact N-OG 3.13Å; A146-S149 PolarHBondContact O-N 3.05Å; A146-S149 PolarHBondContact O-OG 3.15Å; F147-S149 PolarHBondContact O-N 3.22Å; S149-L151 PolarHBondContact O-N 2.88Å
150	R	79.5	Confident	90	Very high	250 Å²	250	91.2 Å²	91.2	94%	0.943	47%	0.468	S	S	*	.	S	Bend	trans	-73.3	-15	168.8	-68.5	-175.4	179.4	179.5	-0.2	113.6
151	L	78.1	Confident	90.1	Very high	140 Å²	140	92.1 Å²	92.1	73%	0.733	48%	0.483	S	S	*	.			trans	-108.3	114.5	-175.5	-60.4	175.9	0	0	0	109.3	S149	S149-L151 PolarHBondContact O-N 2.88Å
152	A	83.5	Confident	90.3	Very high	31 Å²	31	88.2 Å²	88.2	26%	0.256	45%	0.454	S	S	.	.			trans	-117.4	114.2	164.4	0	0	0	0	0	107.6	T143 I144 H145	T143-A152 HydrophobicContact CG2-CB 3.52Å; I144-A152 WeakPolarHBondContact O-CB 3.39Å; H145-A152 VanDerWaalsContact CE1-CB 3.47Å; H145-A152 WeakPolarHBondContact CE1-CB 3.44Å; H145-A152 WeakPolarHBondContact ND1-CB 3.33Å
153	K	84.4	Confident	90.5	Very high	156 Å²	156	89.4 Å²	89.4	68%	0.678	46%	0.462	S	S	*	.			trans	-99.3	136.5	176.4	-69.3	-173.2	178.9	-176.4	0	109.2	T155	K153-T155 PolarHBondContact O-N 3.5Å; K153-T155 VanDerWaalsContact O-N 3.13Å; K153-T155 PolarHBondContact O-OG1 3.34Å; K153-T155 VanDerWaalsContact O-OG1 3.09Å
154	P	90.8	Very high	90.7	Very high	100 Å²	100	87.2 Å²	87.2	65%	0.649	45%	0.447	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-52.1	122.4	167.2	-25.4	34.6	0	0	0	109.6
155	T	91.3	Very high	90.9	Very high	46 Å²	46	88 Å²	88	28%	0.282	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	125.3	-177.5	-58.3	0	0	0	0	108.3	V142 K153 C157	V142-T155 PolarHBondContact N-O 3.04Å; V142-T155 PolarHBondContact O-N 3.23Å; K153-T155 PolarHBondContact O-N 3.5Å; K153-T155 VanDerWaalsContact O-N 3.13Å; K153-T155 PolarHBondContact O-OG1 3.34Å; K153-T155 VanDerWaalsContact O-OG1 3.09Å; T155-C157 PolarHBondContact O-N 3.29Å
156	R	94.3	Very high	91.1	Very high	192 Å²	192	83.5 Å²	83.5	73%	0.725	43%	0.43	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.2	111.2	175.4	-168.6	173.1	-165.5	-121	-0.4	109.2	T139 E140	T139-R156 HydrophobicContact CG2-CG 3.15Å; T139-R156 VanDerWaalsContact CG2-CZ 3.44Å; E140-R156 CarbonylContact O-C 3.6Å; E140-R156 WeakPolarHBondContact O-CA 3.49Å
157	C	95.5	Very high	91.3	Very high	1 Å²	1	82.8 Å²	82.8	1%	0.007	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	135.1	-175.7	-73.1	0	0	0	0	110.9	T139 E140 V142 T155 R159 C180	T139-C157 CarbonylContact C-O 3.55Å; T139-C157 WeakPolarHBondContact CA-O 3.24Å; E140-C157 HydrophobicContact CG-CB 4.46Å; E140-C157 WeakPolarHBondContact CG-O 3.4Å; E140-C157 PolarHBondContact N-O 2.94Å; E140-C157 PolarHBondContact O-N 3.34Å; V142-C157 HydrophobicContact CG2-CB 3.93Å; V142-C157 VanDerWaalsContact CG2-SG 3.51Å; T155-C157 PolarHBondContact O-N 3.29Å; C157-R159 PolarHBondContact O-N 3.12Å; C157-C180 PolarHBondContact SG-O 2.95Å
158	R	97.4	Very high	91.5	Very high	59 Å²	59	76.5 Å²	76.5	22%	0.223	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	117.9	166.4	-173.6	174	60.8	-154.9	-9	108.2	D131 L135 G137 N138 V160 C180	D131-R158 IonicContact OD1-CZ 2.76Å; D131-R158 IonicContact OD1-NH1 3.64Å; D131-R158 IonicContact OD1-NH2 3.91Å; D131-R158 PolarHBondContact OD1-NH2 3.42Å; L135-R158 PolarHBondContact O-NE 2.67Å; L135-R158 VanDerWaalsContact O-NE 3.15Å; L135-R158 PolarHBondContact O-NH2 3.32Å; G137-R158 WeakPolarHBondContact O-CG 3.19Å; N138-R158 CarbonylContact O-C 3.58Å; R158-V160 HydrophobicContact CB-CG1 4.5Å; R158-V160 HydrophobicContact CG-CG1 3.83Å; R158-C180 HydrophobicContact CB-CB 4.08Å; R158-C180 WeakPolarHBondContact O-CB 3.36Å; R158-C180 PolarHBondContact O-N 3.31Å
159	R	97.9	Very high	91.4	Very high	108 Å²	108	77 Å²	77	41%	0.408	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	119.9	171.9	-169.8	172	72.8	154.7	-4.6	108.4	G137 N138 E140 C157 E177 A178	G137-R159 CarbonylContact C-O 3.58Å; G137-R159 VanDerWaalsContact CA-O 3.23Å; G137-R159 WeakPolarHBondContact CA-O 3.47Å; N138-R159 PolarHBondContact N-O 3.21Å; N138-R159 PolarHBondContact O-N 3.2Å; E140-R159 HydrophobicContact CG-CB 4.29Å; C157-R159 PolarHBondContact O-N 3.12Å; R159-E177 IonicContact CZ-OE2 2.86Å; R159-E177 VanDerWaalsContact CZ-OE2 3.26Å; R159-E177 IonicContact NE-OE2 3.26Å; R159-E177 IonicContact NH1-OE2 3.02Å; R159-E177 PolarHBondContact NH1-OE2 3.01Å; R159-E177 IonicContact NH2-OE2 2.85Å; R159-A178 WeakPolarHBondContact CA-O 3.39Å
160	V	97.8	Very high	91.2	Very high	2 Å²	2	77.8 Å²	77.8	1%	0.012	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	150.5	-175.8	-63	0	0	0	0	111	I125 L135 R158 F162 E177 A178	I125-V160 HydrophobicContact CG2-CG2 3.57Å; L135-V160 HydrophobicContact CB-CB 3.83Å; L135-V160 HydrophobicContact CB-CG1 3.85Å; L135-V160 HydrophobicContact CB-CG2 4.29Å; L135-V160 HydrophobicContact CD1-CB 4.35Å; L135-V160 HydrophobicContact CD1-CG2 3.99Å; R158-V160 HydrophobicContact CB-CG1 4.5Å; R158-V160 HydrophobicContact CG-CG1 3.83Å; V160-F162 HydrophobicContact CG2-CD1 4.23Å; V160-F162 HydrophobicContact CG2-CE1 4.32Å; V160-E177 CarbonylContact O-C 3.52Å; V160-E177 VanDerWaalsContact O-CA 3.31Å; V160-E177 WeakPolarHBondContact O-CA 3.46Å; V160-A178 PolarHBondContact N-O 3.18Å; V160-A178 PolarHBondContact O-N 3.43Å
161	A	97.4	Very high	91.6	Very high	61 Å²	61	71.4 Å²	71.4	50%	0.504	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	143.2	173.8	0	0	0	0	0	111.1	M176	A161-M176 VanDerWaalsContact CA-O 3.3Å; A161-M176 WeakPolarHBondContact CA-O 3.43Å
162	F	98	Very high	92.2	Very high	20 Å²	20	68.6 Å²	68.6	9%	0.088	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159	169.4	177.4	55	-90.5	0	0	0	110.6	L102 Y103 I125 L135 V160 L164 M176 A178	L102-F162 HydrophobicContact CD1-CB 4.39Å; L102-F162 HydrophobicContact CD1-CD1 4.32Å; L102-F162 HydrophobicContact CD1-CD2 3.49Å; L102-F162 VanDerWaalsContact CD1-CD2 3.49Å; L102-F162 HydrophobicContact CD1-CE2 3.74Å; L102-F162 HydrophobicContact CD1-CG 3.81Å; L102-F162 HydrophobicContact CD1-CZ 4.26Å; L102-F162 HydrophobicContact CD2-CB 4.1Å; L102-F162 HydrophobicContact CD2-CG 4.4Å; L102-F162 HydrophobicContact CG-CB 4.08Å; L102-F162 HydrophobicContact CG-CD2 3.65Å; L102-F162 HydrophobicContact CG-CE2 4.33Å; L102-F162 HydrophobicContact CG-CG 3.97Å; Y103-F162 WeakPolarHBondContact O-CB 3.5Å; I125-F162 HydrophobicContact CB-CE1 4.39Å; I125-F162 HydrophobicContact CD1-CD1 4.14Å; I125-F162 HydrophobicContact CD1-CE1 3.82Å; I125-F162 HydrophobicContact CD1-CZ 4.28Å; L135-F162 HydrophobicContact CD1-CB 4.19Å; L135-F162 HydrophobicContact CD1-CD1 3.93Å; L135-F162 HydrophobicContact CD1-CG 4.37Å; L135-F162 HydrophobicContact CD2-CB 4.37Å; V160-F162 HydrophobicContact CG2-CD1 4.23Å; V160-F162 HydrophobicContact CG2-CE1 4.32Å; F162-L164 HydrophobicContact CD2-CD2 3.93Å; F162-L164 HydrophobicContact CD2-CG 4.19Å; F162-L164 HydrophobicContact CE2-CD1 4.44Å; F162-L164 HydrophobicContact CE2-CD2 3.78Å; F162-L164 HydrophobicContact CE2-CG 3.89Å; F162-M176 HydrophobicContact CD2-CB 4.28Å; F162-M176 HydrophobicContact CE2-CB 3.82Å; F162-M176 HydrophobicContact CE2-CG 4.43Å; F162-M176 HydrophobicContact CE2-SD 4.23Å; F162-M176 HydrophobicContact CZ-CB 4.01Å; F162-M176 PolarHBondContact N-O 3.38Å; F162-M176 PolarHBondContact O-N 3.45Å; F162-A178 HydrophobicContact CE1-CB 3.73Å; F162-A178 HydrophobicContact CZ-CB 4.04Å
163	T	97.9	Very high	92.7	Very high	35 Å²	35	74.1 Å²	74.1	22%	0.215	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	133.2	177	-59.1	0	0	0	0	110.3	L102 Y103 R165 Y173 Q174	L102-T163 CarbonylContact C-O 3.54Å; L102-T163 WeakPolarHBondContact CA-O 3.32Å; Y103-T163 PolarHBondContact N-O 3.37Å; Y103-T163 PolarHBondContact O-N 2.88Å; Y103-T163 VanDerWaalsContact O-N 3.15Å; T163-R165 HydrophobicContact CG2-CG 4.42Å; T163-Y173 HydrophobicContact CG2-CD2 4.07Å; T163-Y173 HydrophobicContact CG2-CG 4.33Å; T163-Q174 WeakPolarHBondContact CA-O 3.23Å
164	L	97.5	Very high	93.3	Very high	25 Å²	25	72.8 Å²	72.8	13%	0.131	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	141.6	167.9	-65.4	-170	0	0	0	111	A100 R101 L102 V112 F162 Y173 Q174 M176	A100-L164 HydrophobicContact CB-CB 4.37Å; A100-L164 HydrophobicContact CB-CD1 4.26Å; A100-L164 HydrophobicContact CB-CD2 4.18Å; R101-L164 CarbonylContact O-C 3.48Å; R101-L164 WeakPolarHBondContact O-CA 3.1Å; L102-L164 HydrophobicContact CB-CD2 3.81Å; L102-L164 HydrophobicContact CD1-CD2 4.29Å; L102-L164 HydrophobicContact CG-CD2 4.14Å; V112-L164 HydrophobicContact CG2-CD2 4.16Å; F162-L164 HydrophobicContact CD2-CD2 3.93Å; F162-L164 HydrophobicContact CD2-CG 4.19Å; F162-L164 HydrophobicContact CE2-CD1 4.44Å; F162-L164 HydrophobicContact CE2-CD2 3.78Å; F162-L164 HydrophobicContact CE2-CG 3.89Å; L164-Y173 VanDerWaalsContact O-CA 3.3Å; L164-Y173 WeakPolarHBondContact O-CA 3.49Å; L164-Q174 PolarHBondContact N-O 3.03Å; L164-Q174 PolarHBondContact O-N 3.09Å; L164-M176 HydrophobicContact CD1-SD 3.31Å; L164-M176 WeakPolarHBondContact CD1-SD 3.35Å; L164-M176 HydrophobicContact CG-CG 4.47Å; L164-M176 HydrophobicContact CG-SD 3.78Å
165	R	96	Very high	93.6	Very high	76 Å²	76	75 Å²	75	29%	0.287	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	150.8	171.8	-69.3	-176.3	136.3	-156.5	-15.1	111.2	R101 Y103 T163 D171	R101-R165 PolarHBondContact N-O 3.15Å; R101-R165 PolarHBondContact O-N 3.27Å; Y103-R165 HydrophobicContact CD2-CG 4.29Å; Y103-R165 HydrophobicContact CE2-CB 4.11Å; Y103-R165 HydrophobicContact CE2-CG 4.06Å; T163-R165 HydrophobicContact CG2-CG 4.42Å; R165-D171 IonicContact CZ-OD1 3.59Å; R165-D171 IonicContact NE-OD1 2.69Å; R165-D171 IonicContact NH1-OD1 3.04Å; R165-D171 PolarHBondContact NH1-OD1 2.95Å; R165-D171 IonicContact NH2-OD1 3.62Å; R165-D171 PolarHBondContact NH2-OD1 3.09Å; R165-D171 IonicContact NH2-OD2 3.97Å; R165-D171 PolarHBondContact NH2-OD2 3.36Å
166	P	93.7	Very high	93.8	Very high	52 Å²	52	75.4 Å²	75.4	34%	0.338	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.2	149.1	168	-23	33	0	0	0	111.8	T169 S172	P166-T169 WeakPolarHBondContact CB-O 3.29Å; P166-S172 WeakPolarHBondContact CD-O 3.34Å
167	I	92.9	Very high	94	Very high	43 Å²	43	71.2 Å²	71.2	22%	0.221	37%	0.372	C	S	.	.	S	Bend	trans	-103.6	-13	174.2	67.6	168	0	0	0	114.1	Q99 R101 I111	Q99-I167 HydrophobicContact CB-CD1 3.44Å; Q99-I167 VanDerWaalsContact CB-CD1 3.44Å; Q99-I167 HydrophobicContact CB-CG1 4.24Å; Q99-I167 HydrophobicContact CG-CD1 4.47Å; R101-I167 HydrophobicContact CB-CG2 3.84Å; R101-I167 VanDerWaalsContact N-CG2 3.32Å; I111-I167 HydrophobicContact CG2-CD1 4.36Å
168	F	86.8	Confident	94.1	Very high	85 Å²	85	71.2 Å²	71.2	37%	0.373	37%	0.372	S	S	.	.	S	Bend	trans	-111.5	-52.2	-173.5	-56.5	-67.2	0	0	0	112.5	T205 L206 K209	F168-T205 HydrophobicContact CB-CG2 3.45Å; F168-T205 VanDerWaalsContact CB-CG2 3.45Å; F168-T205 HydrophobicContact CG-CG2 4.22Å; F168-L206 WeakPolarHBondContact CD2-O 3.31Å; F168-L206 VanDerWaalsContact CE2-O 3.25Å; F168-L206 WeakPolarHBondContact CE2-O 3.26Å; F168-K209 HydrophobicContact CE1-CG 4.13Å; F168-K209 HydrophobicContact CZ-CG 3.91Å
169	T	82.5	Confident	94.1	Very high	86 Å²	86	68.6 Å²	68.6	53%	0.528	36%	0.363	S	S	.	.	S	Bend	trans	-144.6	145.6	-176.8	55.4	0	0	0	0	112	P166 T205	P166-T169 WeakPolarHBondContact CB-O 3.29Å; T169-T205 HydrophobicContact CG2-CG2 3.78Å
170	G	83.2	Confident	94	Very high	66 Å²	66	64 Å²	64	68%	0.68	35%	0.347	S	S	*	.			trans	88.5	163.7	177.4	0	0	0	0	0	113.5
171	D	86	Confident	93.9	Very high	115 Å²	115	64.3 Å²	64.3	62%	0.615	35%	0.349	S	S	*	.			trans	-120.1	14.5	177.7	-165	34.9	0	0	0	112.1	R165	R165-D171 IonicContact CZ-OD1 3.59Å; R165-D171 IonicContact NE-OD1 2.69Å; R165-D171 IonicContact NH1-OD1 3.04Å; R165-D171 PolarHBondContact NH1-OD1 2.95Å; R165-D171 IonicContact NH2-OD1 3.62Å; R165-D171 PolarHBondContact NH2-OD1 3.09Å; R165-D171 IonicContact NH2-OD2 3.97Å; R165-D171 PolarHBondContact NH2-OD2 3.36Å
172	S	91.8	Very high	93.7	Very high	82 Å²	82	66.4 Å²	66.4	57%	0.573	36%	0.358	S	S	*	.			trans	-59.9	149.5	173.4	58.5	0	0	0	0	110	P166	P166-S172 WeakPolarHBondContact CD-O 3.34Å
173	Y	94.8	Very high	93.4	Very high	147 Å²	147	72.4 Å²	72.4	58%	0.576	38%	0.384	S	S	*	.			trans	-138.3	152.4	176.1	67.7	-90.3	0	0	0	109.5	T163 L164	T163-Y173 HydrophobicContact CG2-CD2 4.07Å; T163-Y173 HydrophobicContact CG2-CG 4.33Å; L164-Y173 VanDerWaalsContact O-CA 3.3Å; L164-Y173 WeakPolarHBondContact O-CA 3.49Å
174	Q	95.9	Very high	93.1	Very high	127 Å²	127	74.4 Å²	74.4	59%	0.593	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.7	122.1	174.3	-174.7	62.2	20.7	0	0	109	T163 L164 M176	T163-Q174 WeakPolarHBondContact CA-O 3.23Å; L164-Q174 PolarHBondContact N-O 3.03Å; L164-Q174 PolarHBondContact O-N 3.09Å; Q174-M176 HydrophobicContact CG-CG 4.02Å
175	Q	96.7	Very high	92.7	Very high	146 Å²	146	75.1 Å²	75.1	68%	0.682	40%	0.399	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.1	134.9	166.4	-70.5	-175.9	-41.8	0	0	109.1
176	M	96.3	Very high	92.2	Very high	55 Å²	55	75.4 Å²	75.4	27%	0.271	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	146.8	-177.1	-63.6	-163.6	74.8	0	0	110.9	S123 A161 F162 L164 Q174	S123-M176 WeakPolarHBondContact OG-CE 3.33Å; A161-M176 VanDerWaalsContact CA-O 3.3Å; A161-M176 WeakPolarHBondContact CA-O 3.43Å; F162-M176 HydrophobicContact CD2-CB 4.28Å; F162-M176 HydrophobicContact CE2-CB 3.82Å; F162-M176 HydrophobicContact CE2-CG 4.43Å; F162-M176 HydrophobicContact CE2-SD 4.23Å; F162-M176 HydrophobicContact CZ-CB 4.01Å; F162-M176 PolarHBondContact N-O 3.38Å; F162-M176 PolarHBondContact O-N 3.45Å; L164-M176 HydrophobicContact CD1-SD 3.31Å; L164-M176 WeakPolarHBondContact CD1-SD 3.35Å; L164-M176 HydrophobicContact CG-CG 4.47Å; L164-M176 HydrophobicContact CG-SD 3.78Å; Q174-M176 HydrophobicContact CG-CG 4.02Å
177	E	97.2	Very high	91.8	Very high	104 Å²	104	76.6 Å²	76.6	49%	0.486	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	139.5	162.5	-63	-169.2	159.7	0	0	109	S123 R159 V160	S123-E177 WeakPolarHBondContact CB-O 3.3Å; R159-E177 IonicContact CZ-OE2 2.86Å; R159-E177 VanDerWaalsContact CZ-OE2 3.26Å; R159-E177 IonicContact NE-OE2 3.26Å; R159-E177 IonicContact NH1-OE2 3.02Å; R159-E177 PolarHBondContact NH1-OE2 3.01Å; R159-E177 IonicContact NH2-OE2 2.85Å; V160-E177 CarbonylContact O-C 3.52Å; V160-E177 VanDerWaalsContact O-CA 3.31Å; V160-E177 WeakPolarHBondContact O-CA 3.46Å
178	A	97.8	Very high	91.4	Very high	2 Å²	2	75.7 Å²	75.7	2%	0.017	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	146.3	175.6	0	0	0	0	0	112.4	S123 I125 R159 V160 F162	S123-A178 CarbonylContact O-C 3.57Å; S123-A178 VanDerWaalsContact O-CA 3.23Å; S123-A178 WeakPolarHBondContact O-CA 3.25Å; S123-A178 WeakPolarHBondContact O-CB 3.15Å; I125-A178 HydrophobicContact CB-CB 4.05Å; I125-A178 HydrophobicContact CG2-CB 3.88Å; R159-A178 WeakPolarHBondContact CA-O 3.39Å; V160-A178 PolarHBondContact N-O 3.18Å; V160-A178 PolarHBondContact O-N 3.43Å; F162-A178 HydrophobicContact CE1-CB 3.73Å; F162-A178 HydrophobicContact CZ-CB 4.04Å
179	S	97.4	Very high	91.3	Very high	3 Å²	3	80 Å²	80	2%	0.021	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	124.3	172.2	-55	0	0	0	0	109.3	S123 F124 I125 E140 V181	S123-S179 PolarHBondContact O-N 2.99Å; F124-S179 WeakPolarHBondContact CA-O 3.49Å; I125-S179 PolarHBondContact N-O 3.27Å; I125-S179 VanDerWaalsContact N-O 3.16Å; E140-S179 PolarHBondContact OE1-OG 3.38Å; S179-V181 PolarHBondContact O-N 3.32Å
180	C	97.5	Very high	91.4	Very high	11 Å²	11	79.2 Å²	79.2	7%	0.074	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	118.3	-177.4	-162.6	0	0	0	0	110.6	I125 K127 A130 C157 R158	I125-C180 HydrophobicContact CG2-CB 4.19Å; I125-C180 WeakPolarHBondContact O-CA 3.45Å; K127-C180 WeakPolarHBondContact CA-SG 3.36Å; A130-C180 WeakPolarHBondContact CB-SG 3.46Å; C157-C180 PolarHBondContact SG-O 2.95Å; R158-C180 HydrophobicContact CB-CB 4.08Å; R158-C180 WeakPolarHBondContact O-CB 3.36Å; R158-C180 PolarHBondContact O-N 3.31Å
181	V	95	Very high	91.4	Very high	10 Å²	10	77.1 Å²	77.1	6%	0.061	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	148.1	-177.4	-67.8	0	0	0	0	111.3	F124 I125 C126 K127 I144 S179 K183 I184	F124-V181 HydrophobicContact CB-CG2 4.12Å; F124-V181 HydrophobicContact CD1-CG1 3.7Å; F124-V181 HydrophobicContact CD1-CG2 4.24Å; F124-V181 HydrophobicContact CE1-CG1 4.14Å; I125-V181 PolarHBondContact O-N 3.34Å; C126-V181 CarbonylContact C-O 3.58Å; C126-V181 WeakPolarHBondContact CA-O 3.05Å; K127-V181 WeakPolarHBondContact CB-O 3.5Å; K127-V181 PolarHBondContact N-O 2.68Å; I144-V181 HydrophobicContact CD1-CG1 3.78Å; S179-V181 PolarHBondContact O-N 3.32Å; V181-K183 VanDerWaalsContact C-N 3.26Å; V181-K183 PolarHBondContact O-N 3.34Å; V181-I184 HydrophobicContact CG2-CG1 3.63Å
182	P	93	Very high	91.3	Very high	105 Å²	105	78 Å²	78	68%	0.682	41%	0.409	S	S	*	.	S	Bend	trans	-56.8	-38.4	-177.9	-26.9	35.3	0	0	0	114
183	K	91.7	Very high	91.1	Very high	146 Å²	146	76.6 Å²	76.6	64%	0.635	40%	0.402	S	S	*	.			trans	-154	134.4	-177.5	-176.4	178.4	178.4	-175.5	0	109.2	V181 C185	V181-K183 VanDerWaalsContact C-N 3.26Å; V181-K183 PolarHBondContact O-N 3.34Å; K183-C185 WeakPolarHBondContact CE-O 3.31Å; K183-C185 VanDerWaalsContact CG-O 3.29Å; K183-C185 WeakPolarHBondContact CG-O 3.17Å
184	I	91.8	Very high	90.6	Very high	77 Å²	77	71.9 Å²	71.9	40%	0.395	39%	0.386	S	S	.	.	S	Bend	trans	-91.9	-51.8	176.8	-63.9	173.3	0	0	0	110.5	F124 V181	F124-I184 HydrophobicContact CB-CD1 3.97Å; F124-I184 HydrophobicContact CB-CG1 4.12Å; V181-I184 HydrophobicContact CG2-CG1 3.63Å
185	C	87.8	Confident	90.1	Very high	39 Å²	39	70 Å²	70	26%	0.264	38%	0.38	S	S	.	.	S	Bend	trans	-141.2	171.8	-179.7	56.7	0	0	0	0	111	K183	K183-C185 WeakPolarHBondContact CE-O 3.31Å; K183-C185 VanDerWaalsContact CG-O 3.29Å; K183-C185 WeakPolarHBondContact CG-O 3.17Å
186	S	86.1	Confident	89.6	Confident	83 Å²	83	71.9 Å²	71.9	58%	0.58	39%	0.388	S	S	*	.	S	Bend	trans	-64.7	169.3	165.3	54.6	0	0	0	0	111	L188	S186-L188 PolarHBondContact O-N 3.33Å; S186-L188 VanDerWaalsContact O-N 3.15Å
187	V	85.8	Confident	89.2	Confident	76 Å²	76	73.8 Å²	73.8	46%	0.461	41%	0.407	S	S	.	.			trans	-49.6	125.4	175.4	177.5	0	0	0	0	109.8	K189 V215 R216	V187-K189 PolarHBondContact O-N 3.46Å; V187-V215 WeakPolarHBondContact CA-O 3.4Å; V187-R216 HydrophobicContact CG2-CB 4.41Å; V187-R216 HydrophobicContact CG2-CG 4.26Å
188	L	84.7	Confident	88.6	Confident	25 Å²	25	74.5 Å²	74.5	13%	0.131	41%	0.406	C	S	.	.	B	Isolated β-bridge	trans	-74.4	113	173.4	-61.2	173.4	0	0	0	107.1	L95 M97 T113 S186 R212 S214 V215	L95-L188 HydrophobicContact CD1-CD2 4.45Å; M97-L188 HydrophobicContact SD-CD1 3.71Å; M97-L188 HydrophobicContact SD-CD2 4.07Å; M97-L188 HydrophobicContact SD-CG 4.33Å; T113-L188 HydrophobicContact CG2-CD1 3.85Å; S186-L188 PolarHBondContact O-N 3.33Å; S186-L188 VanDerWaalsContact O-N 3.15Å; L188-R212 PolarHBondContact O-NH1 3.47Å; L188-S214 CarbonylContact O-C 3.54Å; L188-S214 VanDerWaalsContact O-CA 3.25Å; L188-S214 WeakPolarHBondContact O-CA 3.39Å; L188-V215 HydrophobicContact CB-CB 4.44Å; L188-V215 PolarHBondContact N-O 3.12Å; L188-V215 PolarHBondContact O-N 3.35Å
189	K	84	Confident	87.9	Confident	174 Å²	174	79 Å²	79	76%	0.757	44%	0.437	S	S	*	.	P	Polyproline II helix	trans	-53.1	156.1	176.7	-64.8	-174.9	-179.9	-178.4	0	110.8	V187 R212	V187-K189 PolarHBondContact O-N 3.46Å; K189-R212 PolarHBondContact O-NH1 3.38Å; K189-R212 PolarHBondContact O-NH2 3.27Å
190	S	85.1	Confident	87.2	Confident	70 Å²	70	85.3 Å²	85.3	49%	0.49	47%	0.466	S	S	.	.	P	Polyproline II helix	trans	-56.5	152.2	169.6	49.2	0	0	0	0	111.1	R212 S214	S190-R212 WeakPolarHBondContact CA-O 3.25Å; S190-R212 WeakPolarHBondContact CB-O 3.13Å; S190-S214 PolarHBondContact N-OG 3.14Å
191	N	83.2	Confident	86.6	Confident	22 Å²	22	86.1 Å²	86.1	12%	0.118	47%	0.471	C	S	.	.	B	Isolated β-bridge	trans	-102.1	153.5	164.8	63	13.8	0	0	0	108.9	K209 F210 P211 R212	N191-K209 PolarHBondContact ND2-O 3.22Å; N191-K209 VanDerWaalsContact ND2-O 3.12Å; N191-K209 PolarHBondContact OD1-O 3.31Å; N191-F210 HydrophobicContact CB-CD1 4.13Å; N191-F210 HydrophobicContact CB-CE1 4.04Å; N191-F210 VanDerWaalsContact ND2-CD1 3.3Å; N191-F210 WeakPolarHBondContact ND2-CD1 3.22Å; N191-F210 WeakPolarHBondContact ND2-CE1 3.14Å; N191-P211 WeakPolarHBondContact O-CB 3.16Å; N191-R212 PolarHBondContact N-O 3.26Å; N191-R212 WeakPolarHBondContact OD1-CA 3.45Å; N191-R212 WeakPolarHBondContact OD1-CB 3.33Å; N191-R212 PolarHBondContact OD1-N 2.79Å
192	D	84.7	Confident	86.1	Confident	134 Å²	134	90 Å²	90	72%	0.717	49%	0.488	S	S	*	.	P	Polyproline II helix	trans	-73.5	163.9	179	-61	-40	0	0	0	111.1	F210	D192-F210 WeakPolarHBondContact O-CD1 3.32Å
193	A	86.9	Confident	85.6	Confident	52 Å²	52	89.1 Å²	89.1	43%	0.43	50%	0.497	S	S	.	.	P	Polyproline II helix	trans	-62.8	150.1	169.4	0	0	0	0	0	110.2	L195 P211	A193-L195 PolarHBondContact O-N 3.16Å; A193-P211 HydrophobicContact CB-CG 4.39Å
194	I	84.7	Confident	85.4	Confident	49 Å²	49	87.1 Å²	87.1	25%	0.251	49%	0.493	S	S	.	.	P	Polyproline II helix	trans	-60.5	124.3	168	-59.9	164.5	0	0	0	107.2	E196 W198 V201 L206 F210	I194-E196 PolarHBondContact O-N 2.86Å; I194-W198 HydrophobicContact CG2-CB 4.47Å; I194-W198 HydrophobicContact CG2-CE3 4.26Å; I194-V201 HydrophobicContact CG2-CG2 3.39Å; I194-L206 HydrophobicContact CD1-CD1 3.33Å; I194-L206 HydrophobicContact CD1-CG 4.33Å; I194-L206 HydrophobicContact CG1-CD1 3.92Å; I194-F210 HydrophobicContact CD1-CB 4.2Å; I194-F210 HydrophobicContact CG1-CB 3.7Å; I194-F210 HydrophobicContact CG1-CG 4.12Å
195	L	85.3	Confident	85.1	Confident	88 Å²	88	87.6 Å²	87.6	46%	0.461	50%	0.5	S	S	.	.	P	Polyproline II helix	trans	-66.3	134.9	175.6	-59.3	-176.2	0	0	0	109.6	A193 S197 W198 Q202	A193-L195 PolarHBondContact O-N 3.16Å; L195-S197 PolarHBondContact O-N 3.29Å; L195-S197 VanDerWaalsContact O-N 3.13Å; L195-W198 HydrophobicContact CB-CD2 4.08Å; L195-W198 HydrophobicContact CB-CG 4.01Å; L195-W198 HydrophobicContact CD1-CZ2 3.94Å; L195-W198 HydrophobicContact CG-CD2 4.39Å; L195-W198 HydrophobicContact CG-CZ2 4.17Å; L195-W198 WeakPolarHBondContact O-CB 3.4Å; L195-W198 PolarHBondContact O-N 3.01Å; L195-Q202 PolarHBondContact O-NE2 3.22Å; L195-Q202 VanDerWaalsContact O-NE2 3.15Å
196	E	86.1	Confident	85.1	Confident	184 Å²	184	87.8 Å²	87.8	86%	0.86	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-32.2	174.6	-67.3	179.3	177.1	0	0	111.8	I194 W198	I194-E196 PolarHBondContact O-N 2.86Å; E196-W198 PolarHBondContact O-N 3.04Å
197	S	87.3	Confident	85.1	Confident	95 Å²	95	86.4 Å²	86.4	66%	0.664	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-18.7	174.9	63.5	0	0	0	0	114.6	L195 S199	L195-S197 PolarHBondContact O-N 3.29Å; L195-S197 VanDerWaalsContact O-N 3.13Å; S197-S199 VanDerWaalsContact C-N 3.26Å; S197-S199 PolarHBondContact O-N 3.45Å
198	W	85.6	Confident	85.1	Confident	119 Å²	119	83.3 Å²	83.3	45%	0.451	47%	0.474	S	S	.	.			trans	-84.1	65.7	-179.9	-63.2	-4.1	0	0	0	111.6	I194 L195 E196 H200 V201 Q202	I194-W198 HydrophobicContact CG2-CB 4.47Å; I194-W198 HydrophobicContact CG2-CE3 4.26Å; L195-W198 HydrophobicContact CB-CD2 4.08Å; L195-W198 HydrophobicContact CB-CG 4.01Å; L195-W198 HydrophobicContact CD1-CZ2 3.94Å; L195-W198 HydrophobicContact CG-CD2 4.39Å; L195-W198 HydrophobicContact CG-CZ2 4.17Å; L195-W198 WeakPolarHBondContact O-CB 3.4Å; L195-W198 PolarHBondContact O-N 3.01Å; E196-W198 PolarHBondContact O-N 3.04Å; W198-H200 PolarHBondContact O-N 2.88Å; W198-V201 HydrophobicContact CB-CG2 3.65Å; W198-V201 HydrophobicContact CE3-CG2 4.18Å; W198-V201 VanDerWaalsContact O-CG2 3.24Å; W198-V201 WeakPolarHBondContact O-CG2 3.41Å; W198-V201 PolarHBondContact O-N 2.88Å; W198-Q202 WeakPolarHBondContact O-CG 3.36Å; W198-Q202 PolarHBondContact O-N 3.12Å
199	S	82.7	Confident	85.1	Confident	96 Å²	96	87.4 Å²	87.4	67%	0.671	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	-31.2	-178.4	58.1	0	0	0	0	114.2	S197 V201 Q202	S197-S199 VanDerWaalsContact C-N 3.26Å; S197-S199 PolarHBondContact O-N 3.45Å; S199-V201 VanDerWaalsContact C-N 3.3Å; S199-V201 PolarHBondContact O-N 2.66Å; S199-Q202 PolarHBondContact O-N 3.21Å
200	H	82.9	Confident	85.2	Confident	136 Å²	136	82.6 Å²	82.6	63%	0.63	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-16.8	-179.3	65.3	-81.6	0	0	0	115	W198	W198-H200 PolarHBondContact O-N 2.88Å
201	V	84.3	Confident	85.4	Confident	29 Å²	29	83.6 Å²	83.6	18%	0.176	48%	0.475	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.4	-8.1	172.1	-62.1	0	0	0	0	113.1	I194 W198 S199 G203 L204	I194-V201 HydrophobicContact CG2-CG2 3.39Å; W198-V201 HydrophobicContact CB-CG2 3.65Å; W198-V201 HydrophobicContact CE3-CG2 4.18Å; W198-V201 VanDerWaalsContact O-CG2 3.24Å; W198-V201 WeakPolarHBondContact O-CG2 3.41Å; W198-V201 PolarHBondContact O-N 2.88Å; S199-V201 VanDerWaalsContact C-N 3.3Å; S199-V201 PolarHBondContact O-N 2.66Å; V201-G203 PolarHBondContact O-N 2.76Å; V201-L204 HydrophobicContact CB-CD1 4.46Å; V201-L204 WeakPolarHBondContact O-CB 3.23Å; V201-L204 PolarHBondContact O-N 3.1Å
202	Q	84.6	Confident	85.5	Confident	92 Å²	92	83.2 Å²	83.2	43%	0.43	47%	0.471	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	135.4	177.3	-61.6	-58.4	-27.1	0	0	110.1	L195 W198 S199 L204	L195-Q202 PolarHBondContact O-NE2 3.22Å; L195-Q202 VanDerWaalsContact O-NE2 3.15Å; W198-Q202 WeakPolarHBondContact O-CG 3.36Å; W198-Q202 PolarHBondContact O-N 3.12Å; S199-Q202 PolarHBondContact O-N 3.21Å; Q202-L204 PolarHBondContact O-N 3.25Å
203	G	83.2	Confident	85.5	Confident	85 Å²	85	81.3 Å²	81.3	88%	0.876	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.9	-2.2	-179.1	0	0	0	0	0	115.6	V201	V201-G203 PolarHBondContact O-N 2.76Å
204	L	86.1	Confident	85.4	Confident	105 Å²	105	82.2 Å²	82.2	55%	0.55	47%	0.472	S	S	.	.			trans	-77.2	144.3	172.9	-61.1	-174.4	0	0	0	111.2	V201 Q202 L206	V201-L204 HydrophobicContact CB-CD1 4.46Å; V201-L204 WeakPolarHBondContact O-CB 3.23Å; V201-L204 PolarHBondContact O-N 3.1Å; Q202-L204 PolarHBondContact O-N 3.25Å; L204-L206 HydrophobicContact CB-CD2 3.94Å; L204-L206 PolarHBondContact O-N 2.94Å
205	T	85.7	Confident	85.4	Confident	86 Å²	86	81.7 Å²	81.7	53%	0.528	47%	0.471	S	S	.	.			trans	-77.4	104	163.4	-60.6	0	0	0	0	108.4	F168 T169	F168-T205 HydrophobicContact CB-CG2 3.45Å; F168-T205 VanDerWaalsContact CB-CG2 3.45Å; F168-T205 HydrophobicContact CG-CG2 4.22Å; T169-T205 HydrophobicContact CG2-CG2 3.78Å
206	L	87.4	Confident	84.7	Confident	43 Å²	43	87.9 Å²	87.9	23%	0.225	49%	0.488	C	S	.	.			trans	-78.4	151.8	178.7	-60.1	-167.7	0	0	0	112	F168 I194 L204 A208 F210	F168-L206 WeakPolarHBondContact CD2-O 3.31Å; F168-L206 VanDerWaalsContact CE2-O 3.25Å; F168-L206 WeakPolarHBondContact CE2-O 3.26Å; I194-L206 HydrophobicContact CD1-CD1 3.33Å; I194-L206 HydrophobicContact CD1-CG 4.33Å; I194-L206 HydrophobicContact CG1-CD1 3.92Å; L204-L206 HydrophobicContact CB-CD2 3.94Å; L204-L206 PolarHBondContact O-N 2.94Å; L206-A208 PolarHBondContact O-N 3.18Å; L206-F210 HydrophobicContact CB-CD2 4.35Å; L206-F210 HydrophobicContact CB-CE2 4.26Å; L206-F210 HydrophobicContact CD1-CD2 3.5Å; L206-F210 VanDerWaalsContact CD1-CD2 3.5Å; L206-F210 HydrophobicContact CD1-CE2 3.73Å; L206-F210 HydrophobicContact CD1-CG 4.27Å
207	A	86	Confident	84.6	Confident	55 Å²	55	83.1 Å²	83.1	46%	0.455	47%	0.47	S	S	.	.	S	Bend	trans	-66.7	-16.5	178	0	0	0	0	0	113.5	V98 Q99	V98-A207 CarbonylContact C-O 3.3Å; V98-A207 WeakPolarHBondContact CA-O 3.46Å; V98-A207 HydrophobicContact CB-CB 4.08Å; V98-A207 HydrophobicContact CG2-CB 3.88Å; V98-A207 VanDerWaalsContact CG2-O 3.31Å; V98-A207 WeakPolarHBondContact CG2-O 3.16Å; Q99-A207 PolarHBondContact N-O 3.4Å
208	A	86.2	Confident	84.5	Confident	10 Å²	10	82.4 Å²	82.4	8%	0.083	46%	0.459	C	S	.	.	S	Bend	trans	-142.2	164.2	179.1	0	0	0	0	0	110.5	Q99 L206 F210	Q99-A208 HydrophobicContact CG-CB 4.27Å; L206-A208 PolarHBondContact O-N 3.18Å; A208-F210 HydrophobicContact CB-CE2 3.96Å; A208-F210 WeakPolarHBondContact O-CD2 3.2Å; A208-F210 WeakPolarHBondContact O-CE2 3.39Å
209	K	85.7	Confident	84.4	Confident	112 Å²	112	80.4 Å²	80.4	49%	0.487	46%	0.46	S	S	.	.			trans	-69.9	145.6	168.1	-70.8	179.5	-177.3	-170.5	0	111.1	Q99 F168 N191 R212	Q99-K209 VanDerWaalsContact OE1-CG 3.29Å; F168-K209 HydrophobicContact CE1-CG 4.13Å; F168-K209 HydrophobicContact CZ-CG 3.91Å; N191-K209 PolarHBondContact ND2-O 3.22Å; N191-K209 VanDerWaalsContact ND2-O 3.12Å; N191-K209 PolarHBondContact OD1-O 3.31Å; K209-R212 WeakPolarHBondContact O-CB 3.09Å
210	F	86.5	Confident	84.5	Confident	73 Å²	73	79.5 Å²	79.5	32%	0.32	45%	0.447	S	S	.	.	S	Bend	trans	-139.7	121.4	173	-69.3	-99	0	0	0	108.5	N191 D192 I194 L206 A208	N191-F210 HydrophobicContact CB-CD1 4.13Å; N191-F210 HydrophobicContact CB-CE1 4.04Å; N191-F210 VanDerWaalsContact ND2-CD1 3.3Å; N191-F210 WeakPolarHBondContact ND2-CD1 3.22Å; N191-F210 WeakPolarHBondContact ND2-CE1 3.14Å; D192-F210 WeakPolarHBondContact O-CD1 3.32Å; I194-F210 HydrophobicContact CD1-CB 4.2Å; I194-F210 HydrophobicContact CG1-CB 3.7Å; I194-F210 HydrophobicContact CG1-CG 4.12Å; L206-F210 HydrophobicContact CB-CD2 4.35Å; L206-F210 HydrophobicContact CB-CE2 4.26Å; L206-F210 HydrophobicContact CD1-CD2 3.5Å; L206-F210 VanDerWaalsContact CD1-CD2 3.5Å; L206-F210 HydrophobicContact CD1-CE2 3.73Å; L206-F210 HydrophobicContact CD1-CG 4.27Å; A208-F210 HydrophobicContact CB-CE2 3.96Å; A208-F210 WeakPolarHBondContact O-CD2 3.2Å; A208-F210 WeakPolarHBondContact O-CE2 3.39Å
211	P	87.4	Confident	84.6	Confident	90 Å²	90	75.9 Å²	75.9	58%	0.584	44%	0.436	S	S	*	.	S	Bend	cis	-69.1	155.9	-8.1	31.6	-34.3	0	0	0	111.7	N191 A193	N191-P211 WeakPolarHBondContact O-CB 3.16Å; A193-P211 HydrophobicContact CB-CG 4.39Å
212	R	86	Confident	84.6	Confident	14 Å²	14	79.1 Å²	79.1	5%	0.053	45%	0.453	C	S	.	.	B	Isolated β-bridge	trans	-121.9	131.6	174.5	-177.9	-166.4	47.4	78.3	-5	107.5	L188 K189 S190 N191 K209 V215	L188-R212 PolarHBondContact O-NH1 3.47Å; K189-R212 PolarHBondContact O-NH1 3.38Å; K189-R212 PolarHBondContact O-NH2 3.27Å; S190-R212 WeakPolarHBondContact CA-O 3.25Å; S190-R212 WeakPolarHBondContact CB-O 3.13Å; N191-R212 PolarHBondContact N-O 3.26Å; N191-R212 WeakPolarHBondContact OD1-CA 3.45Å; N191-R212 WeakPolarHBondContact OD1-CB 3.33Å; N191-R212 PolarHBondContact OD1-N 2.79Å; K209-R212 WeakPolarHBondContact O-CB 3.09Å; R212-V215 HydrophobicContact CG-CG2 4.41Å
213	S	85.9	Confident	84.6	Confident	94 Å²	94	78.1 Å²	78.1	66%	0.657	46%	0.455	S	S	*	.			trans	-64.3	162.4	170.6	56.5	0	0	0	0	112.1	V215	S213-V215 PolarHBondContact O-N 3.44Å
214	S	84.7	Confident	84.7	Confident	71 Å²	71	77.6 Å²	77.6	50%	0.497	42%	0.423	S	S	.	.			trans	-55.7	136.9	174.6	-62.6	0	0	0	0	111.7	L188 S190	L188-S214 CarbonylContact O-C 3.54Å; L188-S214 VanDerWaalsContact O-CA 3.25Å; L188-S214 WeakPolarHBondContact O-CA 3.39Å; S190-S214 PolarHBondContact N-OG 3.14Å
215	V	83	Confident	84.6	Confident	39 Å²	39	75.3 Å²	75.3	24%	0.236	41%	0.412	C	S	.	.	B	Isolated β-bridge	trans	-115.7	133.6	179.6	177.7	0	0	0	0	109.5	V187 L188 R212 S213	V187-V215 WeakPolarHBondContact CA-O 3.4Å; L188-V215 HydrophobicContact CB-CB 4.44Å; L188-V215 PolarHBondContact N-O 3.12Å; L188-V215 PolarHBondContact O-N 3.35Å; R212-V215 HydrophobicContact CG-CG2 4.41Å; S213-V215 PolarHBondContact O-N 3.44Å
216	R	70.7	Confident	84.5	Confident	217 Å²	217	74.4 Å²	74.4	82%	0.819	40%	0.401	S	S	*	.			trans	-104.6	0	179.6	-174.2	-180	-177.3	-171.7	3.2	112.9	R128 V187	R128-R216 PolarHBondContact NH2-O 3.39Å; V187-R216 HydrophobicContact CG2-CB 4.41Å; V187-R216 HydrophobicContact CG2-CG 4.26Å

Retrieved 216 of 216 residues in 253.7 ms (Link to these results)

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