G4VFZ6_SCHMA Loading...

Family S9 unassigned peptidase (S09 family)

AlphaFold DB , UniProt , Accession G4VFZ6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 449 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	33.7	Very low	51.7	Low	236 Å²	236	95.6 Å²	95.6	100%	1.163	52%	0.517	S	S	*	.				0	139.6	0	-78.4	175	170.8	0	0	109.2
2	N	48.1	Very low	52.1	Low	130 Å²	130	98.8 Å²	98.8	70%	0.695	53%	0.533	S	S	*	.			trans	97.9	60.2	169.9	-55.2	-5.4	0	0	0	118	L4	N2-L4 HydrophobicContact CB-CD1 4.5Å; N2-L4 HydrophobicContact CB-CG 4.21Å; N2-L4 PolarHBondContact O-N 3.2Å
3	D	52.5	Low	52	Low	174 Å²	174	93.6 Å²	93.6	93%	0.93	50%	0.504	S	S	*	.			trans	-78.5	78.7	140.6	-82.3	-34.8	0	0	0	108.4	S5	D3-S5 PolarHBondContact O-N 3.33Å
4	L	53.2	Low	51.8	Low	63 Å²	63	90.6 Å²	90.6	33%	0.33	49%	0.493	S	S	.	.			trans	-70.4	103.5	171.9	-72.1	167.7	0	0	0	108.2	N2 S8 I9	N2-L4 HydrophobicContact CB-CD1 4.5Å; N2-L4 HydrophobicContact CB-CG 4.21Å; N2-L4 PolarHBondContact O-N 3.2Å; L4-S8 VanDerWaalsContact C-OG 3.25Å; L4-S8 VanDerWaalsContact CA-OG 3.3Å; L4-S8 WeakPolarHBondContact CA-OG 3.43Å; L4-I9 HydrophobicContact CB-CD1 3.98Å; L4-I9 HydrophobicContact CB-CG1 3.9Å
5	S	54.8	Low	51.4	Low	65 Å²	65	92 Å²	92	46%	0.455	51%	0.51	S	S	.	.			trans	-63.3	156.9	174.6	77.1	0	0	0	0	111.2	D3 N7 S8 I9	D3-S5 PolarHBondContact O-N 3.33Å; S5-N7 PolarHBondContact O-N 3.16Å; S5-N7 VanDerWaalsContact O-N 3.14Å; S5-S8 PolarHBondContact N-OG 3.43Å; S5-S8 PolarHBondContact O-N 3.42Å; S5-S8 PolarHBondContact O-OG 3.43Å; S5-S8 PolarHBondContact OG-N 3.3Å; S5-I9 PolarHBondContact O-N 3.21Å; S5-I9 VanDerWaalsContact O-N 3.13Å
6	C	53.5	Low	51.1	Low	54 Å²	54	94 Å²	94	37%	0.365	53%	0.529	S	S	.	.	H	α-helix	trans	-49.5	-40.4	173.3	-169.5	0	0	0	0	111.8	S8 I9 C10 Y211	C6-S8 PolarHBondContact O-N 3.37Å; C6-I9 PolarHBondContact O-N 3.08Å; C6-C10 WeakPolarHBondContact O-CB 3.48Å; C6-C10 PolarHBondContact O-N 3.11Å; C6-C10 PolarHBondContact O-SG 3.34Å; C6-Y211 HydrophobicContact CB-CD1 4.22Å; C6-Y211 HydrophobicContact CB-CE1 3.94Å
7	N	52.6	Low	50.7	Low	116 Å²	116	92 Å²	92	62%	0.62	52%	0.521	S	S	*	.	H	α-helix	trans	-64.5	-39.6	176.1	-76.6	-9.3	0	0	0	112.7	S5 Q11	S5-N7 PolarHBondContact O-N 3.16Å; S5-N7 VanDerWaalsContact O-N 3.14Å; N7-Q11 VanDerWaalsContact O-CB 3.25Å; N7-Q11 WeakPolarHBondContact O-CB 3.48Å; N7-Q11 VanDerWaalsContact O-CG 3.22Å; N7-Q11 WeakPolarHBondContact O-CG 3.14Å; N7-Q11 PolarHBondContact O-N 3.32Å
8	S	56	Low	50.9	Low	32 Å²	32	92.8 Å²	92.8	22%	0.224	52%	0.522	C	S	.	.	H	α-helix	trans	-67.4	-40.6	178.8	67.3	0	0	0	0	112.9	L4 S5 C6 Q11 L12	L4-S8 VanDerWaalsContact C-OG 3.25Å; L4-S8 VanDerWaalsContact CA-OG 3.3Å; L4-S8 WeakPolarHBondContact CA-OG 3.43Å; S5-S8 PolarHBondContact N-OG 3.43Å; S5-S8 PolarHBondContact O-N 3.42Å; S5-S8 PolarHBondContact O-OG 3.43Å; S5-S8 PolarHBondContact OG-N 3.3Å; C6-S8 PolarHBondContact O-N 3.37Å; S8-Q11 PolarHBondContact O-N 3.36Å; S8-L12 WeakPolarHBondContact O-CB 3.35Å; S8-L12 PolarHBondContact O-N 3.14Å
9	I	57.4	Low	51.1	Low	8 Å²	8	89.7 Å²	89.7	4%	0.041	51%	0.507	C	S	.	.	H	α-helix	trans	-71.2	-43.1	176.4	-64.4	170.9	0	0	0	110.2	L4 S5 C6 Q11 L12 L13 L207 Y211	L4-I9 HydrophobicContact CB-CD1 3.98Å; L4-I9 HydrophobicContact CB-CG1 3.9Å; S5-I9 PolarHBondContact O-N 3.21Å; S5-I9 VanDerWaalsContact O-N 3.13Å; C6-I9 PolarHBondContact O-N 3.08Å; I9-Q11 VanDerWaalsContact C-N 3.33Å; I9-Q11 PolarHBondContact O-N 3.12Å; I9-L12 PolarHBondContact O-N 3.33Å; I9-L13 HydrophobicContact CG2-CD1 3.74Å; I9-L13 HydrophobicContact CG2-CG 4.49Å; I9-L13 WeakPolarHBondContact O-CB 3.19Å; I9-L13 WeakPolarHBondContact O-CG 3.39Å; I9-L13 PolarHBondContact O-N 2.85Å; I9-L207 HydrophobicContact CD1-CD1 4.15Å; I9-Y211 HydrophobicContact CD1-CE1 4.01Å; I9-Y211 HydrophobicContact CD1-CE2 4.29Å
10	C	51.5	Low	51.4	Low	26 Å²	26	88.2 Å²	88.2	18%	0.176	50%	0.502	C	S	.	.	H	α-helix	trans	-63.1	-37.1	174	-73.3	0	0	0	0	111.5	C6 L13 C14	C6-C10 WeakPolarHBondContact O-CB 3.48Å; C6-C10 PolarHBondContact O-N 3.11Å; C6-C10 PolarHBondContact O-SG 3.34Å; C10-L13 PolarHBondContact O-N 3.03Å; C10-C14 VanDerWaalsContact O-CA 3.26Å; C10-C14 WeakPolarHBondContact O-CA 3.44Å; C10-C14 WeakPolarHBondContact O-CB 3.49Å; C10-C14 PolarHBondContact O-N 3.36Å; C10-C14 PolarHBondContact O-SG 3.34Å; C10-C14 VanDerWaalsContact O-SG 3.41Å
11	Q	55.4	Low	51.6	Low	148 Å²	148	90.4 Å²	90.4	69%	0.692	51%	0.506	S	S	*	.	H	α-helix	trans	-70	-36.2	175.6	-78.3	-176.9	-2.4	0	0	112.2	N7 S8 I9 L13	N7-Q11 VanDerWaalsContact O-CB 3.25Å; N7-Q11 WeakPolarHBondContact O-CB 3.48Å; N7-Q11 VanDerWaalsContact O-CG 3.22Å; N7-Q11 WeakPolarHBondContact O-CG 3.14Å; N7-Q11 PolarHBondContact O-N 3.32Å; S8-Q11 PolarHBondContact O-N 3.36Å; I9-Q11 VanDerWaalsContact C-N 3.33Å; I9-Q11 PolarHBondContact O-N 3.12Å; Q11-L13 VanDerWaalsContact C-N 3.25Å; Q11-L13 PolarHBondContact O-N 2.85Å
12	L	56.8	Low	52.6	Low	134 Å²	134	81.5 Å²	81.5	70%	0.702	46%	0.463	S	S	*	.	H	α-helix	trans	-65.5	-29.1	174.1	-130.9	121.1	0	0	0	112.6	S8 I9	S8-L12 WeakPolarHBondContact O-CB 3.35Å; S8-L12 PolarHBondContact O-N 3.14Å; I9-L12 PolarHBondContact O-N 3.33Å
13	L	51	Low	53	Low	31 Å²	31	76.2 Å²	76.2	16%	0.162	44%	0.437	C	S	.	.	H	α-helix	trans	-108.8	-20.7	-173.8	-64	175.8	0	0	0	115.2	I9 C10 Q11 P17 P19 L200	I9-L13 HydrophobicContact CG2-CD1 3.74Å; I9-L13 HydrophobicContact CG2-CG 4.49Å; I9-L13 WeakPolarHBondContact O-CB 3.19Å; I9-L13 WeakPolarHBondContact O-CG 3.39Å; I9-L13 PolarHBondContact O-N 2.85Å; C10-L13 PolarHBondContact O-N 3.03Å; Q11-L13 VanDerWaalsContact C-N 3.25Å; Q11-L13 PolarHBondContact O-N 2.85Å; L13-P17 VanDerWaalsContact O-O 3.08Å; L13-P19 HydrophobicContact CB-CG 4.4Å; L13-P19 WeakPolarHBondContact O-CD 3.42Å; L13-P19 WeakPolarHBondContact O-CG 3.19Å; L13-L200 HydrophobicContact CD1-CD2 3.85Å
14	C	48.5	Very low	53.3	Low	52 Å²	52	68.5 Å²	68.5	35%	0.351	40%	0.397	S	S	.	.	H	α-helix	trans	-117.6	8.3	-164.8	-58.6	0	0	0	0	115.7	C10 C213	C10-C14 VanDerWaalsContact O-CA 3.26Å; C10-C14 WeakPolarHBondContact O-CA 3.44Å; C10-C14 WeakPolarHBondContact O-CB 3.49Å; C10-C14 PolarHBondContact O-N 3.36Å; C10-C14 PolarHBondContact O-SG 3.34Å; C10-C14 VanDerWaalsContact O-SG 3.41Å; C14-C213 PolarHBondContact SG-SG 2.99Å
15	C	46.1	Very low	53.6	Low	111 Å²	111	74 Å²	74	75%	0.75	42%	0.419	S	S	*	.	S	Bend	trans	-149.5	109.1	172.4	-86	0	0	0	0	114.5
16	P	47	Very low	54.1	Low	124 Å²	124	77.4 Å²	77.4	81%	0.805	43%	0.431	S	S	*	.	S	Bend	cis	-117.2	110.3	-37	32.6	-16.4	0	0	0	109.3
17	P	44.5	Very low	55	Low	60 Å²	60	75.9 Å²	75.9	39%	0.39	42%	0.422	S	S	.	.	S	Bend		-128.8	146.9	104.5	4.9	16.5	0	0	0	110.6	L13 I22	L13-P17 VanDerWaalsContact O-O 3.08Å; P17-I22 HydrophobicContact CB-CD1 4.18Å; P17-I22 HydrophobicContact CB-CG1 4.13Å; P17-I22 HydrophobicContact CG-CD1 3.56Å; P17-I22 HydrophobicContact CG-CG1 3.79Å
18	L	54.4	Low	56.5	Low	106 Å²	106	70.8 Å²	70.8	56%	0.555	40%	0.395	S	S	*	.			trans	-43.7	127	175.4	-73.6	90.3	0	0	0	110.3	S20 K21	L18-S20 PolarHBondContact O-N 3.13Å; L18-K21 HydrophobicContact CB-CG 4.39Å; L18-K21 HydrophobicContact CD1-CD 4.43Å; L18-K21 PolarHBondContact O-N 3.43Å
19	P	53.8	Low	58.1	Low	34 Å²	34	74.5 Å²	74.5	22%	0.221	41%	0.41	C	S	.	.	H	α-helix	trans	-47	-35.4	-179.2	-29.9	30.6	0	0	0	113.2	L13 K21 I22 A23	L13-P19 HydrophobicContact CB-CG 4.4Å; L13-P19 WeakPolarHBondContact O-CD 3.42Å; L13-P19 WeakPolarHBondContact O-CG 3.19Å; P19-K21 VanDerWaalsContact C-N 3.34Å; P19-K21 PolarHBondContact O-N 3.08Å; P19-I22 PolarHBondContact O-N 3.13Å; P19-A23 WeakPolarHBondContact O-CB 3.47Å; P19-A23 PolarHBondContact O-N 3.23Å
20	S	56.4	Low	59.6	Low	60 Å²	60	76.7 Å²	76.7	42%	0.42	42%	0.424	S	S	.	.	H	α-helix	trans	-62.3	-31.3	176.6	60.7	0	0	0	0	114.7	L18 A24	L18-S20 PolarHBondContact O-N 3.13Å; S20-A24 WeakPolarHBondContact O-CB 3.14Å; S20-A24 PolarHBondContact O-N 3.17Å
21	K	55.8	Low	61.5	Low	135 Å²	135	76.4 Å²	76.4	59%	0.587	42%	0.422	S	S	*	.	H	α-helix	trans	-77.3	-42.1	177.9	-71.6	-176.2	179.1	177.8	0	112.1	L18 P19 K25	L18-K21 HydrophobicContact CB-CG 4.39Å; L18-K21 HydrophobicContact CD1-CD 4.43Å; L18-K21 PolarHBondContact O-N 3.43Å; P19-K21 VanDerWaalsContact C-N 3.34Å; P19-K21 PolarHBondContact O-N 3.08Å; K21-K25 WeakPolarHBondContact O-CB 3.47Å; K21-K25 PolarHBondContact O-N 3.37Å
22	I	54.7	Low	63.2	Low	49 Å²	49	73.1 Å²	73.1	25%	0.251	41%	0.414	S	S	.	.	H	α-helix	trans	-68.1	-50.2	175.5	-65.9	164.7	0	0	0	109.4	P17 P19 A24 K25 L26	P17-I22 HydrophobicContact CB-CD1 4.18Å; P17-I22 HydrophobicContact CB-CG1 4.13Å; P17-I22 HydrophobicContact CG-CD1 3.56Å; P17-I22 HydrophobicContact CG-CG1 3.79Å; P19-I22 PolarHBondContact O-N 3.13Å; I22-A24 VanDerWaalsContact C-N 3.26Å; I22-A24 PolarHBondContact O-N 2.82Å; I22-K25 PolarHBondContact O-N 3.35Å; I22-L26 HydrophobicContact CG2-CD1 3.66Å; I22-L26 HydrophobicContact CG2-CG 4.17Å; I22-L26 WeakPolarHBondContact O-CG 3.27Å; I22-L26 PolarHBondContact O-N 3.12Å
23	A	57.1	Low	65	Low	18 Å²	18	69.1 Å²	69.1	15%	0.149	40%	0.397	C	S	.	.	H	α-helix	trans	-56.5	-42.7	176	0	0	0	0	0	111.2	P19 K25 L26 A27 V215	P19-A23 WeakPolarHBondContact O-CB 3.47Å; P19-A23 PolarHBondContact O-N 3.23Å; A23-K25 PolarHBondContact O-N 3.5Å; A23-L26 PolarHBondContact O-N 2.9Å; A23-A27 WeakPolarHBondContact O-CA 3.36Å; A23-A27 WeakPolarHBondContact O-CB 3.29Å; A23-A27 PolarHBondContact O-N 3.43Å; A23-V215 HydrophobicContact CB-CB 4.35Å; A23-V215 HydrophobicContact CB-CG1 3.77Å; A23-V215 HydrophobicContact CB-CG2 3.89Å
24	A	58.9	Low	67.1	Low	12 Å²	12	67.7 Å²	67.7	10%	0.099	39%	0.39	C	S	.	.	H	α-helix	trans	-61.1	-43.9	175.4	0	0	0	0	0	112.3	S20 I22 L26 F28 P139 L140	S20-A24 WeakPolarHBondContact O-CB 3.14Å; S20-A24 PolarHBondContact O-N 3.17Å; I22-A24 VanDerWaalsContact C-N 3.26Å; I22-A24 PolarHBondContact O-N 2.82Å; A24-L26 VanDerWaalsContact C-N 3.34Å; A24-L26 PolarHBondContact O-N 3.48Å; A24-F28 HydrophobicContact CB-CD2 3.93Å; A24-F28 HydrophobicContact CB-CE2 4.38Å; A24-F28 WeakPolarHBondContact O-CA 3.03Å; A24-F28 VanDerWaalsContact O-CB 3.26Å; A24-F28 WeakPolarHBondContact O-CB 2.94Å; A24-F28 WeakPolarHBondContact O-CD2 3.49Å; A24-F28 PolarHBondContact O-N 3.06Å; A24-P139 WeakPolarHBondContact CB-O 3.25Å; A24-L140 HydrophobicContact CB-CD2 4.11Å
25	K	59.8	Low	69.3	Low	179 Å²	179	65.5 Å²	65.5	78%	0.778	37%	0.374	S	S	*	.	H	α-helix	trans	-69.7	-30.3	-179.7	-165.8	173.4	-177.8	-177.2	0	113.2	K21 I22 A23	K21-K25 WeakPolarHBondContact O-CB 3.47Å; K21-K25 PolarHBondContact O-N 3.37Å; I22-K25 PolarHBondContact O-N 3.35Å; A23-K25 PolarHBondContact O-N 3.5Å
26	L	64.4	Low	71.7	Confident	137 Å²	137	66.5 Å²	66.5	72%	0.717	37%	0.366	S	S	*	.	H	α-helix	trans	-84.1	-33.2	177.7	-67.7	177.7	0	0	0	112.7	I22 A23 A24	I22-L26 HydrophobicContact CG2-CD1 3.66Å; I22-L26 HydrophobicContact CG2-CG 4.17Å; I22-L26 WeakPolarHBondContact O-CG 3.27Å; I22-L26 PolarHBondContact O-N 3.12Å; A23-L26 PolarHBondContact O-N 2.9Å; A24-L26 VanDerWaalsContact C-N 3.34Å; A24-L26 PolarHBondContact O-N 3.48Å
27	A	73.7	Confident	74.1	Confident	22 Å²	22	61.3 Å²	61.3	18%	0.182	33%	0.331	C	S	.	.	H	α-helix	trans	-95.3	-25.8	-174.9	0	0	0	0	0	113.8	A23 N102 I173 F216	A23-A27 WeakPolarHBondContact O-CA 3.36Å; A23-A27 WeakPolarHBondContact O-CB 3.29Å; A23-A27 PolarHBondContact O-N 3.43Å; A27-N102 VanDerWaalsContact O-CG 3.23Å; A27-N102 PolarHBondContact O-ND2 3.2Å; A27-I173 HydrophobicContact CB-CD1 3.92Å; A27-I173 WeakPolarHBondContact O-CD1 3.44Å; A27-F216 HydrophobicContact CB-CE2 3.39Å; A27-F216 HydrophobicContact CB-CZ 3.78Å
28	F	84.6	Confident	76.6	Confident	9 Å²	9	60.7 Å²	60.7	4%	0.039	33%	0.326	C	S	.	.			trans	-114	113.6	179.1	-55.8	-67.1	0	0	0	110.9	A24 Y132 P139 L144 I173 F216	A24-F28 HydrophobicContact CB-CD2 3.93Å; A24-F28 HydrophobicContact CB-CE2 4.38Å; A24-F28 WeakPolarHBondContact O-CA 3.03Å; A24-F28 VanDerWaalsContact O-CB 3.26Å; A24-F28 WeakPolarHBondContact O-CB 2.94Å; A24-F28 WeakPolarHBondContact O-CD2 3.49Å; A24-F28 PolarHBondContact O-N 3.06Å; F28-Y132 WeakPolarHBondContact CA-OH 3.38Å; F28-Y132 HydrophobicContact CB-CE2 4.26Å; F28-Y132 HydrophobicContact CD1-CE2 4.21Å; F28-P139 HydrophobicContact CB-CB 3.6Å; F28-P139 HydrophobicContact CB-CG 3.78Å; F28-P139 HydrophobicContact CD1-CB 4.09Å; F28-P139 HydrophobicContact CD2-CB 3.79Å; F28-P139 HydrophobicContact CD2-CG 4.37Å; F28-P139 WeakPolarHBondContact CD2-O 3.3Å; F28-P139 HydrophobicContact CE2-CB 4.49Å; F28-P139 WeakPolarHBondContact CE2-O 3.26Å; F28-P139 HydrophobicContact CG-CB 3.58Å; F28-P139 HydrophobicContact CG-CG 4.23Å; F28-L144 HydrophobicContact CE1-CD1 3.63Å; F28-L144 HydrophobicContact CE1-CD2 3.86Å; F28-L144 HydrophobicContact CE1-CG 3.87Å; F28-L144 HydrophobicContact CZ-CD1 3.45Å; F28-L144 VanDerWaalsContact CZ-CD1 3.45Å; F28-L144 HydrophobicContact CZ-CD2 4.24Å; F28-L144 HydrophobicContact CZ-CG 3.73Å; F28-I173 HydrophobicContact CD1-CD1 3.79Å; F28-I173 HydrophobicContact CE1-CD1 3.43Å; F28-I173 VanDerWaalsContact CE1-CD1 3.43Å; F28-I173 HydrophobicContact CE1-CG1 4.32Å; F28-I173 HydrophobicContact CZ-CD1 4.06Å; F28-F216 HydrophobicContact CE1-CZ 4.44Å; F28-F216 HydrophobicContact CE2-CE1 4.2Å; F28-F216 AromaticContact CE2-CZ 3.78Å; F28-F216 HydrophobicContact CE2-CZ 3.78Å; F28-F216 AromaticContact CZ-CE1 3.74Å; F28-F216 HydrophobicContact CZ-CE1 3.74Å; F28-F216 AromaticContact CZ-CZ 3.6Å; F28-F216 HydrophobicContact CZ-CZ 3.6Å
29	M	88	Confident	78.5	Confident	110 Å²	110	60.8 Å²	60.8	54%	0.542	32%	0.324	S	S	.	.			trans	-123.4	71.4	173.6	-67.3	-179.7	60.2	0	0	108.5	N102 A103 Y132	M29-N102 PolarHBondContact N-OD1 2.87Å; M29-A103 VanDerWaalsContact O-CA 3.27Å; M29-A103 WeakPolarHBondContact O-CA 3.26Å; M29-Y132 PolarHBondContact N-OH 2.89Å
30	P	89.7	Confident	80.4	Confident	53 Å²	53	61.9 Å²	61.9	34%	0.344	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-55.3	130.6	175.8	23.2	-32.3	0	0	0	109.7	Y132	P30-Y132 HydrophobicContact CB-CD1 3.9Å; P30-Y132 HydrophobicContact CB-CD2 3.86Å; P30-Y132 HydrophobicContact CB-CE1 3.95Å; P30-Y132 HydrophobicContact CB-CE2 3.9Å; P30-Y132 HydrophobicContact CB-CG 3.85Å; P30-Y132 HydrophobicContact CG-CE2 4.29Å
31	P	90.2	Very high	82.1	Confident	21 Å²	21	62.9 Å²	62.9	14%	0.136	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-68.9	166.2	175.3	32.1	-35.1	0	0	0	109.9	S33 A103 D105 L108	P31-S33 PolarHBondContact O-N 3.38Å; P31-A103 WeakPolarHBondContact CG-O 3.35Å; P31-D105 HydrophobicContact CG-CB 4.12Å; P31-L108 HydrophobicContact CG-CD1 4.25Å
32	P	92	Very high	83.8	Confident	78 Å²	78	64 Å²	64	51%	0.506	34%	0.337	S	S	.	.	S	Bend	trans	-50.4	134	158.2	-21.7	33.3	0	0	0	109.2	S34 Y55	P32-S34 PolarHBondContact O-N 3.27Å; P32-S34 VanDerWaalsContact O-N 3.14Å; P32-Y55 PolarHBondContact O-OH 3.33Å
33	S	95.5	Very high	85.5	Confident	51 Å²	51	66.1 Å²	66.1	36%	0.357	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-55.1	121.3	-176.6	-167.9	0	0	0	0	110.4	P31 Y35 G133	P31-S33 PolarHBondContact O-N 3.38Å; S33-Y35 VanDerWaalsContact C-N 3.29Å; S33-Y35 PolarHBondContact OG-O 3.43Å; S33-G133 WeakPolarHBondContact OG-CA 3.48Å
34	S	94	Very high	87	Confident	0 Å²	0	68.8 Å²	68.8	0%	0	40%	0.401	C	S	.	.	S	Bend	trans	-91	1.8	-178.1	86.4	0	0	0	0	113.1	P32 A53 Y55 D105 G107 L108	P32-S34 PolarHBondContact O-N 3.27Å; P32-S34 VanDerWaalsContact O-N 3.14Å; S34-A53 VanDerWaalsContact O-CB 3.27Å; S34-A53 WeakPolarHBondContact O-CB 3.37Å; S34-A53 PolarHBondContact O-N 2.79Å; S34-Y55 WeakPolarHBondContact CA-OH 3.42Å; S34-Y55 WeakPolarHBondContact CB-OH 3.27Å; S34-D105 WeakPolarHBondContact CB-OD1 3.12Å; S34-D105 PolarHBondContact N-OD2 3.46Å; S34-D105 VanDerWaalsContact OG-CG 3.26Å; S34-D105 PolarHBondContact OG-OD1 3.3Å; S34-D105 PolarHBondContact OG-OD2 3.02Å; S34-G107 VanDerWaalsContact OG-C 3.29Å; S34-G107 WeakPolarHBondContact OG-CA 3.46Å; S34-L108 PolarHBondContact OG-N 2.8Å; S34-L108 VanDerWaalsContact OG-N 3.15Å
35	Y	95.4	Very high	88.4	Confident	7 Å²	7	74.2 Å²	74.2	3%	0.027	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	173.6	174.9	74.5	-74.9	0	0	0	111	S33 L37 F50 T51 A82 D105 L106 D128 A134	S33-Y35 VanDerWaalsContact C-N 3.29Å; S33-Y35 PolarHBondContact OG-O 3.43Å; Y35-L37 HydrophobicContact CD2-CD2 4.28Å; Y35-L37 HydrophobicContact CD2-CG 4.37Å; Y35-L37 HydrophobicContact CE2-CD1 4.49Å; Y35-L37 HydrophobicContact CE2-CD2 4.07Å; Y35-L37 HydrophobicContact CE2-CG 3.87Å; Y35-F50 HydrophobicContact CD1-CE2 4.24Å; Y35-F50 HydrophobicContact CD1-CZ 4.46Å; Y35-F50 AromaticContact CD2-CD2 3.47Å; Y35-F50 HydrophobicContact CD2-CD2 3.47Å; Y35-F50 VanDerWaalsContact CD2-CD2 3.47Å; Y35-F50 AromaticContact CD2-CE2 3.03Å; Y35-F50 HydrophobicContact CD2-CE2 3.03Å; Y35-F50 AromaticContact CD2-CZ 3.8Å; Y35-F50 HydrophobicContact CD2-CZ 3.8Å; Y35-F50 HydrophobicContact CE2-CD2 4.05Å; Y35-F50 AromaticContact CE2-CE2 3.68Å; Y35-F50 HydrophobicContact CE2-CE2 3.68Å; Y35-F50 HydrophobicContact CG-CD2 4.19Å; Y35-F50 AromaticContact CG-CE2 3.36Å; Y35-F50 HydrophobicContact CG-CE2 3.36Å; Y35-F50 AromaticContact CG-CZ 3.64Å; Y35-F50 HydrophobicContact CG-CZ 3.64Å; Y35-T51 CarbonylContact C-O 3.59Å; Y35-T51 WeakPolarHBondContact CA-O 3.35Å; Y35-T51 WeakPolarHBondContact CB-O 3.26Å; Y35-A82 HydrophobicContact CE2-CB 4.42Å; Y35-A82 WeakPolarHBondContact OH-CB 3.38Å; Y35-D105 HydrophobicContact CE1-CB 4.3Å; Y35-L106 HydrophobicContact CD1-CB 4.26Å; Y35-L106 HydrophobicContact CE1-CB 3.76Å; Y35-L106 HydrophobicContact CE2-CB 4.48Å; Y35-D128 WeakPolarHBondContact CE1-OD2 3.31Å; Y35-D128 PolarHBondContact OH-OD2 2.95Å; Y35-A134 HydrophobicContact CE2-CB 3.86Å; Y35-A134 PolarHBondContact OH-N 2.97Å
36	K	96.1	Very high	89.9	Confident	132 Å²	132	68.3 Å²	68.3	57%	0.574	40%	0.403	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.7	143.8	171.2	-174.5	177.9	177.8	-175.8	0	109.6	T51	K36-T51 PolarHBondContact N-O 3.48Å; K36-T51 PolarHBondContact O-N 3.16Å
37	L	96.9	Very high	91.3	Very high	14 Å²	14	65 Å²	65	7%	0.073	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	118.7	162.6	-63.6	-175.5	0	0	0	109	Y35 Y48 R49 F50 S70 K72 A82 A134	Y35-L37 HydrophobicContact CD2-CD2 4.28Å; Y35-L37 HydrophobicContact CD2-CG 4.37Å; Y35-L37 HydrophobicContact CE2-CD1 4.49Å; Y35-L37 HydrophobicContact CE2-CD2 4.07Å; Y35-L37 HydrophobicContact CE2-CG 3.87Å; L37-Y48 HydrophobicContact CB-CD1 4.15Å; L37-R49 WeakPolarHBondContact CA-O 3.32Å; L37-F50 HydrophobicContact CD2-CB 4.14Å; L37-F50 HydrophobicContact CD2-CD2 3.76Å; L37-F50 HydrophobicContact CD2-CG 4.41Å; L37-S70 WeakPolarHBondContact CD2-OG 3.5Å; L37-K72 HydrophobicContact CD1-CG 4Å; L37-A82 HydrophobicContact CD1-CB 3.71Å; L37-A134 HydrophobicContact CB-CB 4.35Å; L37-A134 HydrophobicContact CD1-CB 4.26Å; L37-A134 HydrophobicContact CG-CB 4.06Å
38	T	96.4	Very high	92.4	Very high	47 Å²	47	66.4 Å²	66.4	29%	0.288	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	123.7	172.9	-53	0	0	0	0	108.7	H40 Y48 R49	T38-H40 PolarHBondContact O-CD2 2.62Å; T38-Y48 WeakPolarHBondContact O-CA 3.45Å; T38-R49 PolarHBondContact N-O 3.37Å; T38-R49 PolarHBondContact O-N 3.18Å
39	E	95.5	Very high	92.8	Very high	109 Å²	109	73.1 Å²	73.1	51%	0.509	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	134.4	180	-169.4	178.3	149.7	0	0	110.5	T46 Y48	E39-T46 HydrophobicContact CG-CG2 3.47Å; E39-T46 VanDerWaalsContact CG-CG2 3.47Å; E39-Y48 HydrophobicContact CB-CD1 4.18Å; E39-Y48 HydrophobicContact CB-CE1 3.92Å; E39-Y48 HydrophobicContact CG-CD1 4.43Å; E39-Y48 HydrophobicContact CG-CE1 3.9Å
40	H	93.7	Very high	93.2	Very high	56 Å²	56	68.6 Å²	68.6	26%	0.259	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	118.9	174.3	-67.2	-78.7	0	0	0	108.5	T38 T47 R49	T38-H40 PolarHBondContact O-CD2 2.62Å; H40-T47 PolarHBondContact N-O 2.79Å; H40-T47 PolarHBondContact O-N 3.1Å; H40-T47 PolarHBondContact O-OG1 3.45Å; H40-R49 PolarHBondContact CE1-NH1 2.83Å; H40-R49 PolarHBondContact NE2-NH1 3.35Å
41	T	92.5	Very high	93.4	Very high	81 Å²	81	68.9 Å²	68.9	50%	0.497	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	113.6	179.1	-61.6	0	0	0	0	109	H45 T46	T41-H45 WeakPolarHBondContact CA-O 3.44Å; T41-T46 PolarHBondContact OG1-OG1 3.2Å; T41-T46 VanDerWaalsContact OG1-OG1 3.14Å
42	E	90.1	Very high	93.5	Very high	158 Å²	158	68.5 Å²	68.5	74%	0.738	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.8	130.9	178.2	-71.9	-179.4	-170.1	0	0	108.9	G44 H45	E42-G44 PolarHBondContact O-N 3.2Å; E42-G44 VanDerWaalsContact O-N 3.11Å; E42-H45 PolarHBondContact N-O 3.11Å; E42-H45 PolarHBondContact O-N 3.29Å
43	G	90.4	Very high	93.5	Very high	94 Å²	94	65.8 Å²	65.8	97%	0.969	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.1	24.8	178.9	0	0	0	0	0	115.1	H45	G43-H45 PolarHBondContact O-N 3.05Å
44	G	89	Confident	93.1	Very high	75 Å²	75	67.7 Å²	67.7	77%	0.773	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.5	-0.3	-174.4	0	0	0	0	0	114.6	E42	E42-G44 PolarHBondContact O-N 3.2Å; E42-G44 VanDerWaalsContact O-N 3.11Å
45	H	88.6	Confident	92.5	Very high	125 Å²	125	71 Å²	71	58%	0.579	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.6	122.5	173.1	-168.9	64.4	0	0	0	110.5	T41 E42 G43 T47	T41-H45 WeakPolarHBondContact CA-O 3.44Å; E42-H45 PolarHBondContact N-O 3.11Å; E42-H45 PolarHBondContact O-N 3.29Å; G43-H45 PolarHBondContact O-N 3.05Å; H45-T47 VanDerWaalsContact CD2-CG2 3.48Å; H45-T47 WeakPolarHBondContact CD2-CG2 3.3Å
46	T	91.6	Very high	91.8	Very high	56 Å²	56	70.7 Å²	70.7	34%	0.344	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	120.9	176.5	-57.9	0	0	0	0	110.3	E39 T41 Y48	E39-T46 HydrophobicContact CG-CG2 3.47Å; E39-T46 VanDerWaalsContact CG-CG2 3.47Å; T41-T46 PolarHBondContact OG1-OG1 3.2Å; T41-T46 VanDerWaalsContact OG1-OG1 3.14Å; T46-Y48 HydrophobicContact CG2-CE2 3.96Å
47	T	93.3	Very high	90.4	Very high	68 Å²	68	69.4 Å²	69.4	42%	0.417	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	155.5	173.1	63.9	0	0	0	0	110.2	H40 H45	H40-T47 PolarHBondContact N-O 2.79Å; H40-T47 PolarHBondContact O-N 3.1Å; H40-T47 PolarHBondContact O-OG1 3.45Å; H45-T47 VanDerWaalsContact CD2-CG2 3.48Å; H45-T47 WeakPolarHBondContact CD2-CG2 3.3Å
48	Y	96.1	Very high	89	Confident	50 Å²	50	75.5 Å²	75.5	20%	0.196	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	126.3	175.6	-65.6	-88.2	0	0	0	109.2	L37 T38 E39 T46 S70 K72	L37-Y48 HydrophobicContact CB-CD1 4.15Å; T38-Y48 WeakPolarHBondContact O-CA 3.45Å; E39-Y48 HydrophobicContact CB-CD1 4.18Å; E39-Y48 HydrophobicContact CB-CE1 3.92Å; E39-Y48 HydrophobicContact CG-CD1 4.43Å; E39-Y48 HydrophobicContact CG-CE1 3.9Å; T46-Y48 HydrophobicContact CG2-CE2 3.96Å; Y48-S70 PolarHBondContact O-OG 3.01Å; Y48-K72 HydrophobicContact CD1-CD 4.41Å; Y48-K72 HydrophobicContact CD1-CG 4.31Å; Y48-K72 HydrophobicContact CE1-CB 4.45Å; Y48-K72 HydrophobicContact CE1-CD 3.71Å; Y48-K72 HydrophobicContact CE1-CG 3.93Å; Y48-K72 HydrophobicContact CE2-CB 4.06Å; Y48-K72 HydrophobicContact CE2-CG 4.3Å
49	R	94.8	Very high	87.4	Confident	150 Å²	150	75 Å²	75	57%	0.566	42%	0.424	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.5	120.9	172.4	-178.8	176.2	-72.3	137.6	-7.6	109.4	L37 T38 H40	L37-R49 WeakPolarHBondContact CA-O 3.32Å; T38-R49 PolarHBondContact N-O 3.37Å; T38-R49 PolarHBondContact O-N 3.18Å; H40-R49 PolarHBondContact CE1-NH1 2.83Å; H40-R49 PolarHBondContact NE2-NH1 3.35Å
50	F	95.6	Very high	85.5	Confident	16 Å²	16	75.9 Å²	75.9	7%	0.07	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	136.2	173.5	-172.8	-88.4	0	0	0	111.1	Y35 L37 L52 V64 M68 L84 L106 L110	Y35-F50 HydrophobicContact CD1-CE2 4.24Å; Y35-F50 HydrophobicContact CD1-CZ 4.46Å; Y35-F50 AromaticContact CD2-CD2 3.47Å; Y35-F50 HydrophobicContact CD2-CD2 3.47Å; Y35-F50 VanDerWaalsContact CD2-CD2 3.47Å; Y35-F50 AromaticContact CD2-CE2 3.03Å; Y35-F50 HydrophobicContact CD2-CE2 3.03Å; Y35-F50 AromaticContact CD2-CZ 3.8Å; Y35-F50 HydrophobicContact CD2-CZ 3.8Å; Y35-F50 HydrophobicContact CE2-CD2 4.05Å; Y35-F50 AromaticContact CE2-CE2 3.68Å; Y35-F50 HydrophobicContact CE2-CE2 3.68Å; Y35-F50 HydrophobicContact CG-CD2 4.19Å; Y35-F50 AromaticContact CG-CE2 3.36Å; Y35-F50 HydrophobicContact CG-CE2 3.36Å; Y35-F50 AromaticContact CG-CZ 3.64Å; Y35-F50 HydrophobicContact CG-CZ 3.64Å; L37-F50 HydrophobicContact CD2-CB 4.14Å; L37-F50 HydrophobicContact CD2-CD2 3.76Å; L37-F50 HydrophobicContact CD2-CG 4.41Å; F50-L52 HydrophobicContact CE1-CD2 3.68Å; F50-L52 HydrophobicContact CE1-CG 3.94Å; F50-L52 HydrophobicContact CZ-CD2 4.08Å; F50-V64 HydrophobicContact CD1-CG1 4.29Å; F50-V64 HydrophobicContact CD1-CG2 4.1Å; F50-V64 HydrophobicContact CE1-CG2 4.38Å; F50-M68 HydrophobicContact CB-CE 3.66Å; F50-M68 HydrophobicContact CD1-CE 3.86Å; F50-M68 HydrophobicContact CD2-CE 4.32Å; F50-M68 HydrophobicContact CG-CE 3.7Å; F50-L84 HydrophobicContact CD2-CD1 4.29Å; F50-L84 HydrophobicContact CD2-CD2 3.65Å; F50-L84 HydrophobicContact CD2-CG 4.47Å; F50-L84 HydrophobicContact CE2-CD1 3.79Å; F50-L84 HydrophobicContact CE2-CD2 3.98Å; F50-L84 HydrophobicContact CE2-CG 4.32Å; F50-L84 HydrophobicContact CG-CD2 4.36Å; F50-L84 HydrophobicContact CZ-CD1 4.21Å; F50-L106 HydrophobicContact CE2-CB 4.5Å; F50-L110 HydrophobicContact CE1-CD2 3.98Å
51	T	93.9	Very high	83.8	Confident	58 Å²	58	74.8 Å²	74.8	36%	0.356	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	127.1	174.7	-56.8	0	0	0	0	110.1	Y35 K36	Y35-T51 CarbonylContact C-O 3.59Å; Y35-T51 WeakPolarHBondContact CA-O 3.35Å; Y35-T51 WeakPolarHBondContact CB-O 3.26Å; K36-T51 PolarHBondContact N-O 3.48Å; K36-T51 PolarHBondContact O-N 3.16Å
52	L	92.9	Very high	82.5	Confident	13 Å²	13	77 Å²	77	7%	0.068	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	143.8	174.9	-67.7	169.2	0	0	0	111.3	F50 L56 I61 V64 L110	F50-L52 HydrophobicContact CE1-CD2 3.68Å; F50-L52 HydrophobicContact CE1-CG 3.94Å; F50-L52 HydrophobicContact CZ-CD2 4.08Å; L52-L56 HydrophobicContact CD2-CD1 4.07Å; L52-I61 HydrophobicContact CD1-CG2 4.13Å; L52-I61 WeakPolarHBondContact CD1-O 3.22Å; L52-V64 HydrophobicContact CD1-CG2 4.2Å; L52-V64 HydrophobicContact CG-CG2 4.3Å; L52-L110 HydrophobicContact CD1-CD2 4.23Å; L52-L110 HydrophobicContact CD2-CD2 4.18Å; L52-L110 HydrophobicContact CG-CD2 4.44Å
53	A	90.6	Very high	82	Confident	22 Å²	22	74.5 Å²	74.5	18%	0.182	41%	0.413	C	S	.	.			trans	-61.3	146.4	173.2	0	0	0	0	0	110.5	S34 Y55 L56 K57	S34-A53 VanDerWaalsContact O-CB 3.27Å; S34-A53 WeakPolarHBondContact O-CB 3.37Å; S34-A53 PolarHBondContact O-N 2.79Å; A53-Y55 VanDerWaalsContact C-N 3.26Å; A53-Y55 HydrophobicContact CB-CD1 3.69Å; A53-Y55 HydrophobicContact CB-CE1 3.37Å; A53-Y55 PolarHBondContact O-N 3.42Å; A53-L56 PolarHBondContact O-N 3.05Å; A53-K57 PolarHBondContact O-N 2.95Å
54	S	86.8	Confident	81.7	Confident	90 Å²	90	72.5 Å²	72.5	63%	0.629	38%	0.382	S	S	*	.	H	α-helix	trans	-56.7	-38.2	-175.5	49.7	0	0	0	0	113.2	L56 K57	S54-L56 PolarHBondContact O-N 3.49Å; S54-K57 WeakPolarHBondContact O-CA 3.38Å; S54-K57 VanDerWaalsContact O-CB 3.23Å; S54-K57 WeakPolarHBondContact O-CB 3.38Å; S54-K57 PolarHBondContact O-N 3.18Å
55	Y	83.2	Confident	81.7	Confident	70 Å²	70	69.1 Å²	69.1	28%	0.275	35%	0.346	S	S	.	.	H	α-helix	trans	-67.4	-20.3	179.9	69.3	-98.5	0	0	0	113.9	P32 S34 A53 S59 W372	P32-Y55 PolarHBondContact O-OH 3.33Å; S34-Y55 WeakPolarHBondContact CA-OH 3.42Å; S34-Y55 WeakPolarHBondContact CB-OH 3.27Å; A53-Y55 VanDerWaalsContact C-N 3.26Å; A53-Y55 HydrophobicContact CB-CD1 3.69Å; A53-Y55 HydrophobicContact CB-CE1 3.37Å; A53-Y55 PolarHBondContact O-N 3.42Å; Y55-S59 PolarHBondContact O-OG 3.35Å; Y55-W372 HydrophobicContact CD2-CZ2 4.26Å; Y55-W372 HydrophobicContact CE2-CH2 4.21Å; Y55-W372 HydrophobicContact CE2-CZ2 4.36Å
56	L	79.3	Confident	81.6	Confident	1 Å²	1	72.6 Å²	72.6	1%	0.005	36%	0.363	C	S	.	.	H	α-helix	trans	-81.1	-25.4	170.7	-72.5	-168	0	0	0	112.1	L52 A53 S54 D58 S59 L108 M373	L52-L56 HydrophobicContact CD2-CD1 4.07Å; A53-L56 PolarHBondContact O-N 3.05Å; S54-L56 PolarHBondContact O-N 3.49Å; L56-D58 PolarHBondContact O-N 3.38Å; L56-S59 WeakPolarHBondContact O-CB 3.48Å; L56-S59 PolarHBondContact O-N 2.9Å; L56-L108 HydrophobicContact CD1-CD2 4.11Å; L56-L108 HydrophobicContact CD2-CD2 3.84Å; L56-M373 HydrophobicContact CD2-CE 4.24Å
57	K	66.9	Low	81.5	Confident	105 Å²	105	73.1 Å²	73.1	46%	0.457	36%	0.363	S	S	.	.	H	α-helix	trans	-60.1	-34.9	173.2	-59.1	-176.4	178.7	-176.5	0	110.1	A53 S54 S59 H62	A53-K57 PolarHBondContact O-N 2.95Å; S54-K57 WeakPolarHBondContact O-CA 3.38Å; S54-K57 VanDerWaalsContact O-CB 3.23Å; S54-K57 WeakPolarHBondContact O-CB 3.38Å; S54-K57 PolarHBondContact O-N 3.18Å; K57-S59 PolarHBondContact O-N 2.96Å; K57-S59 VanDerWaalsContact O-N 3.14Å; K57-H62 PolarHBondContact O-CE1 3.43Å; K57-H62 PolarHBondContact O-ND1 2.94Å; K57-H62 PolarHBondContact O-NE2 2.6Å
58	D	68.2	Low	81.6	Confident	141 Å²	141	70.9 Å²	70.9	75%	0.754	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	-8.6	177.4	-56.9	-31.5	0	0	0	113.7	L56	L56-D58 PolarHBondContact O-N 3.38Å
59	S	62	Low	81.6	Confident	36 Å²	36	72.1 Å²	72.1	25%	0.252	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.6	24.1	-169.1	-56.4	0	0	0	0	114.5	Y55 L56 K57 I61	Y55-S59 PolarHBondContact O-OG 3.35Å; L56-S59 WeakPolarHBondContact O-CB 3.48Å; L56-S59 PolarHBondContact O-N 2.9Å; K57-S59 PolarHBondContact O-N 2.96Å; K57-S59 VanDerWaalsContact O-N 3.14Å; S59-I61 PolarHBondContact O-N 3Å
60	F	56.6	Low	81.7	Confident	129 Å²	129	65.8 Å²	65.8	57%	0.566	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.9	-12.1	-177.5	-57.5	-91	0	0	0	116.2	H62	F60-H62 VanDerWaalsContact C-CD2 3.48Å; F60-H62 VanDerWaalsContact C-N 3.32Å; F60-H62 PolarHBondContact O-CD2 3.21Å; F60-H62 VanDerWaalsContact O-CD2 3.31Å; F60-H62 PolarHBondContact O-N 2.79Å
61	I	56.7	Low	81.9	Confident	32 Å²	32	65.8 Å²	65.8	16%	0.164	34%	0.335	C	S	.	.			trans	-81.5	81.7	173.1	-53.1	177.4	0	0	0	108.3	L52 S59 H111	L52-I61 HydrophobicContact CD1-CG2 4.13Å; L52-I61 WeakPolarHBondContact CD1-O 3.22Å; S59-I61 PolarHBondContact O-N 3Å; I61-H111 HydrophobicContact CD1-CB 4.41Å; I61-H111 HydrophobicContact CG2-CB 4.41Å
62	H	66.2	Low	82.1	Confident	127 Å²	127	66.4 Å²	66.4	59%	0.588	33%	0.333	S	S	*	.			trans	-103	-9.5	178.7	-59.3	-84.3	0	0	0	113.8	K57 F60	K57-H62 PolarHBondContact O-CE1 3.43Å; K57-H62 PolarHBondContact O-ND1 2.94Å; K57-H62 PolarHBondContact O-NE2 2.6Å; F60-H62 VanDerWaalsContact C-CD2 3.48Å; F60-H62 VanDerWaalsContact C-N 3.32Å; F60-H62 PolarHBondContact O-CD2 3.21Å; F60-H62 VanDerWaalsContact O-CD2 3.31Å; F60-H62 PolarHBondContact O-N 2.79Å
63	F	78.6	Confident	82.3	Confident	107 Å²	107	66.5 Å²	66.5	47%	0.469	34%	0.336	S	S	.	.			trans	-98.5	115.2	-166.5	-177.3	-112.9	0	0	0	111.1	P65 L110 Y114	F63-P65 HydrophobicContact CD1-CG 3.96Å; F63-P65 HydrophobicContact CE1-CB 3.81Å; F63-P65 HydrophobicContact CE1-CG 3.55Å; F63-P65 HydrophobicContact CZ-CB 4.07Å; F63-P65 HydrophobicContact CZ-CG 4.29Å; F63-L110 WeakPolarHBondContact O-CD2 3.21Å; F63-Y114 HydrophobicContact CE1-CD1 4.42Å; F63-Y114 HydrophobicContact CE1-CD2 4Å; F63-Y114 HydrophobicContact CE1-CE1 4.16Å; F63-Y114 AromaticContact CE1-CE2 3.72Å; F63-Y114 HydrophobicContact CE1-CE2 3.72Å; F63-Y114 HydrophobicContact CE1-CG 4.34Å; F63-Y114 AromaticContact CE1-CZ 3.8Å; F63-Y114 HydrophobicContact CZ-CE2 4.47Å
64	V	85.7	Confident	82.7	Confident	52 Å²	52	70 Å²	70	32%	0.315	36%	0.355	S	S	.	.			trans	-101.2	115	162.1	-178.9	0	0	0	0	106.3	F50 L52 E66 M68 L110	F50-V64 HydrophobicContact CD1-CG1 4.29Å; F50-V64 HydrophobicContact CD1-CG2 4.1Å; F50-V64 HydrophobicContact CE1-CG2 4.38Å; L52-V64 HydrophobicContact CD1-CG2 4.2Å; L52-V64 HydrophobicContact CG-CG2 4.3Å; V64-E66 PolarHBondContact O-N 3.34Å; V64-M68 HydrophobicContact CG1-CE 3.42Å; V64-M68 VanDerWaalsContact CG1-CE 3.42Å; V64-M68 HydrophobicContact CG1-SD 4.32Å; V64-L110 HydrophobicContact CG2-CD2 4.04Å
65	P	87.3	Confident	83.3	Confident	3 Å²	3	66 Å²	66	2%	0.019	33%	0.326	C	S	.	.			trans	-60.1	134.4	179.8	-20.3	31.2	0	0	0	111.3	F63 N67 M68 M86 Y114	F63-P65 HydrophobicContact CD1-CG 3.96Å; F63-P65 HydrophobicContact CE1-CB 3.81Å; F63-P65 HydrophobicContact CE1-CG 3.55Å; F63-P65 HydrophobicContact CZ-CB 4.07Å; F63-P65 HydrophobicContact CZ-CG 4.29Å; P65-N67 VanDerWaalsContact C-N 3.25Å; P65-N67 WeakPolarHBondContact CB-OD1 3.37Å; P65-N67 PolarHBondContact O-N 3.17Å; P65-M68 HydrophobicContact CB-CB 4.28Å; P65-M68 WeakPolarHBondContact O-CB 3.39Å; P65-M68 PolarHBondContact O-N 2.68Å; P65-M86 HydrophobicContact CG-CE 3.71Å; P65-M86 HydrophobicContact CG-SD 4.03Å; P65-Y114 HydrophobicContact CB-CD2 4.2Å; P65-Y114 HydrophobicContact CB-CE2 4.48Å; P65-Y114 HydrophobicContact CG-CD2 3.64Å; P65-Y114 HydrophobicContact CG-CE2 4.31Å; P65-Y114 HydrophobicContact CG-CG 4.22Å
66	E	88.2	Confident	84	Confident	199 Å²	199	70.1 Å²	70.1	93%	0.93	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-32.5	-175.9	-64.8	-176	167.5	0	0	113.2	V64 M68	V64-E66 PolarHBondContact O-N 3.34Å; E66-M68 VanDerWaalsContact C-N 3.26Å; E66-M68 PolarHBondContact O-N 3.48Å
67	N	89	Confident	84.9	Confident	66 Å²	66	76.1 Å²	76.1	35%	0.353	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-4.9	176.8	56.4	-25.8	0	0	0	113.7	P65 E69 P87	P65-N67 VanDerWaalsContact C-N 3.25Å; P65-N67 WeakPolarHBondContact CB-OD1 3.37Å; P65-N67 PolarHBondContact O-N 3.17Å; N67-E69 PolarHBondContact O-N 3.35Å; N67-P87 PolarHBondContact ND2-O 3.41Å; N67-P87 VanDerWaalsContact O-CD 3.28Å; N67-P87 WeakPolarHBondContact O-CD 3.28Å
68	M	94.8	Very high	86.4	Confident	21 Å²	21	73.6 Å²	73.6	10%	0.103	37%	0.368	C	S	.	.			trans	-76.2	125.3	-179.7	-173.9	-165.3	75.2	0	0	111.2	F50 V64 P65 E66 L84 M86 L110	F50-M68 HydrophobicContact CB-CE 3.66Å; F50-M68 HydrophobicContact CD1-CE 3.86Å; F50-M68 HydrophobicContact CD2-CE 4.32Å; F50-M68 HydrophobicContact CG-CE 3.7Å; V64-M68 HydrophobicContact CG1-CE 3.42Å; V64-M68 VanDerWaalsContact CG1-CE 3.42Å; V64-M68 HydrophobicContact CG1-SD 4.32Å; P65-M68 HydrophobicContact CB-CB 4.28Å; P65-M68 WeakPolarHBondContact O-CB 3.39Å; P65-M68 PolarHBondContact O-N 2.68Å; E66-M68 VanDerWaalsContact C-N 3.26Å; E66-M68 PolarHBondContact O-N 3.48Å; M68-L84 HydrophobicContact CE-CD2 3.9Å; M68-L84 HydrophobicContact SD-CB 4.48Å; M68-L84 HydrophobicContact SD-CD1 3.81Å; M68-L84 HydrophobicContact SD-CD2 3.95Å; M68-L84 HydrophobicContact SD-CG 4.29Å; M68-M86 HydrophobicContact CB-CE 4.44Å; M68-M86 HydrophobicContact CG-CE 4.17Å; M68-M86 HydrophobicContact SD-CE 4.23Å; M68-L110 HydrophobicContact SD-CD1 3.35Å; M68-L110 WeakPolarHBondContact SD-CD1 3.37Å
69	E	96.6	Very high	87.8	Confident	77 Å²	77	68 Å²	68	36%	0.36	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	139	170.7	-67.2	178	-126.3	0	0	110.7	N67 L84 Y85 Y159	N67-E69 PolarHBondContact O-N 3.35Å; E69-L84 WeakPolarHBondContact O-CA 3.45Å; E69-Y85 PolarHBondContact N-O 3.25Å; E69-Y85 PolarHBondContact O-N 3.26Å; E69-Y159 VanDerWaalsContact CD-OH 3.24Å; E69-Y159 PolarHBondContact OE2-OH 3.24Å
70	S	97.8	Very high	89.5	Confident	17 Å²	17	69.3 Å²	69.3	12%	0.119	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	141.6	171.3	80.7	0	0	0	0	110.8	L37 Y48 I83	L37-S70 WeakPolarHBondContact CD2-OG 3.5Å; Y48-S70 PolarHBondContact O-OG 3.01Å; S70-I83 WeakPolarHBondContact CA-O 3.18Å
71	M	97.9	Very high	91.6	Very high	15 Å²	15	63.2 Å²	63.2	7%	0.074	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	171	-178.5	68.7	-176.4	77.7	0	0	112.8	A82 I83 V154 K158 Y159	M71-A82 WeakPolarHBondContact O-CA 3.36Å; M71-I83 HydrophobicContact CG-CB 3.86Å; M71-I83 HydrophobicContact CG-CG2 4.44Å; M71-I83 PolarHBondContact N-O 3Å; M71-I83 PolarHBondContact O-N 3.42Å; M71-V154 HydrophobicContact CE-CG1 4.43Å; M71-V154 HydrophobicContact SD-CG1 3.72Å; M71-K158 HydrophobicContact CE-CD 3.91Å; M71-K158 HydrophobicContact SD-CD 4.06Å; M71-Y159 HydrophobicContact CE-CE2 3.78Å; M71-Y159 WeakPolarHBondContact CE-OH 3.32Å
72	K	98.2	Very high	93.6	Very high	72 Å²	72	61.7 Å²	61.7	31%	0.313	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	144.2	162.9	-67.4	-174.3	179.2	176.1	0	110.6	L37 Y48 I81	L37-K72 HydrophobicContact CD1-CG 4Å; Y48-K72 HydrophobicContact CD1-CD 4.41Å; Y48-K72 HydrophobicContact CD1-CG 4.31Å; Y48-K72 HydrophobicContact CE1-CB 4.45Å; Y48-K72 HydrophobicContact CE1-CD 3.71Å; Y48-K72 HydrophobicContact CE1-CG 3.93Å; Y48-K72 HydrophobicContact CE2-CB 4.06Å; Y48-K72 HydrophobicContact CE2-CG 4.3Å; K72-I81 CarbonylContact C-O 3.48Å; K72-I81 VanDerWaalsContact CA-O 3.22Å; K72-I81 WeakPolarHBondContact CA-O 3.35Å
73	A	98.3	Very high	95.1	Very high	15 Å²	15	55.6 Å²	55.6	12%	0.124	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	141.2	173	0	0	0	0	0	110.6	N80 I81 I83 C150 V154	A73-N80 CarbonylContact O-C 3.57Å; A73-N80 WeakPolarHBondContact O-CA 3.39Å; A73-I81 HydrophobicContact CB-CG1 4.48Å; A73-I81 PolarHBondContact N-O 3.45Å; A73-I81 WeakPolarHBondContact O-CG1 3.31Å; A73-I81 PolarHBondContact O-N 3.01Å; A73-I83 HydrophobicContact CB-CD1 3.73Å; A73-C150 VanDerWaalsContact CB-SG 3.54Å; A73-V154 HydrophobicContact CB-CG2 3.78Å
74	T	98.5	Very high	96.1	Very high	94 Å²	94	50.6 Å²	50.6	58%	0.577	26%	0.257	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88	123.2	179.8	-49.6	0	0	0	0	110.3	N79 N80 C150	T74-N79 WeakPolarHBondContact CA-O 3.49Å; T74-N80 PolarHBondContact OG1-OD1 3.16Å; T74-C150 PolarHBondContact O-SG 2.75Å
75	T	98.7	Very high	96.7	Very high	6 Å²	6	49 Å²	49	4%	0.037	25%	0.246	C	C	.	.			trans	-74.6	160.6	175.6	66.8	0	0	0	0	110.9	R77 G78 N79 I81 D147 C150	T75-R77 PolarHBondContact O-N 3.07Å; T75-R77 PolarHBondContact OG1-N 2.8Å; T75-G78 PolarHBondContact O-N 2.99Å; T75-N79 WeakPolarHBondContact CG2-O 3.4Å; T75-N79 PolarHBondContact N-O 2.93Å; T75-N79 PolarHBondContact OG1-N 3.14Å; T75-N79 VanDerWaalsContact OG1-N 3.15Å; T75-N79 PolarHBondContact OG1-O 3.34Å; T75-N79 VanDerWaalsContact OG1-O 3.08Å; T75-I81 HydrophobicContact CG2-CD1 4.33Å; T75-I81 HydrophobicContact CG2-CG1 4.14Å; T75-I81 HydrophobicContact CG2-CG2 3.81Å; T75-D147 WeakPolarHBondContact CG2-OD1 3.34Å; T75-C150 HydrophobicContact CG2-CB 3.86Å
76	R	98.2	Very high	97.1	Very high	157 Å²	157	48.8 Å²	48.8	59%	0.592	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-13.2	172	69.5	175.7	175.5	-144.9	-16.5	114.6	A146 E149	R76-A146 HydrophobicContact CG-CB 3.95Å; R76-E149 IonicContact CZ-OE1 3.62Å; R76-E149 IonicContact CZ-OE2 3.85Å; R76-E149 IonicContact NH1-OE1 2.61Å; R76-E149 PolarHBondContact NH1-OE1 2.9Å; R76-E149 IonicContact NH1-OE2 3.27Å; R76-E149 PolarHBondContact NH1-OE2 3.39Å; R76-E149 IonicContact NH2-OE1 3.99Å; R76-E149 PolarHBondContact NH2-OE1 3.32Å; R76-E149 IonicContact NH2-OE2 2.81Å
77	R	98	Very high	97.4	Very high	128 Å²	128	41.1 Å²	41.1	48%	0.483	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.2	6.9	178.7	-64	-173.8	58	69.2	8.8	112.7	T75 N79 K142 N143 A146	T75-R77 PolarHBondContact O-N 3.07Å; T75-R77 PolarHBondContact OG1-N 2.8Å; R77-N79 VanDerWaalsContact C-N 3.32Å; R77-N79 PolarHBondContact O-N 3.11Å; R77-K142 WeakPolarHBondContact CD-O 3.47Å; R77-N143 WeakPolarHBondContact CD-OD1 3.22Å; R77-N143 PolarHBondContact NE-OD1 3.11Å; R77-A146 HydrophobicContact CB-CB 4.35Å; R77-A146 HydrophobicContact CG-CB 3.76Å
78	G	98.3	Very high	97.5	Very high	52 Å²	52	39.4 Å²	39.4	54%	0.536	20%	0.203	S	C	.	.	S	Bend	trans	81.3	3	176.3	0	0	0	0	0	115.1	T75	T75-G78 PolarHBondContact O-N 2.99Å
79	N	98.6	Very high	97.2	Very high	23 Å²	23	41.6 Å²	41.6	12%	0.123	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-82	144.1	173.1	-57	-32.5	0	0	0	110	T74 T75 R77 S130 G137 N143	T74-N79 WeakPolarHBondContact CA-O 3.49Å; T75-N79 WeakPolarHBondContact CG2-O 3.4Å; T75-N79 PolarHBondContact N-O 2.93Å; T75-N79 PolarHBondContact OG1-N 3.14Å; T75-N79 VanDerWaalsContact OG1-N 3.15Å; T75-N79 PolarHBondContact OG1-O 3.34Å; T75-N79 VanDerWaalsContact OG1-O 3.08Å; R77-N79 VanDerWaalsContact C-N 3.32Å; R77-N79 PolarHBondContact O-N 3.11Å; N79-S130 WeakPolarHBondContact CB-OG 3.41Å; N79-S130 PolarHBondContact ND2-OG 2.79Å; N79-G137 WeakPolarHBondContact OD1-CA 3.44Å; N79-N143 PolarHBondContact ND2-ND2 3.03Å
80	N	98.5	Very high	96.7	Very high	64 Å²	64	44.3 Å²	44.3	34%	0.342	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	117.3	171.3	-68.2	-47.8	0	0	0	108.5	A73 T74 S135 S136	A73-N80 CarbonylContact O-C 3.57Å; A73-N80 WeakPolarHBondContact O-CA 3.39Å; T74-N80 PolarHBondContact OG1-OD1 3.16Å; N80-S135 CarbonylContact O-C 3.42Å; N80-S135 VanDerWaalsContact O-CA 3.27Å; N80-S135 WeakPolarHBondContact O-CA 3.39Å; N80-S136 PolarHBondContact N-OG 3.31Å; N80-S136 PolarHBondContact O-N 3.45Å
81	I	98.7	Very high	96.2	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	142	176.8	58.2	165.2	0	0	0	110.7	K72 A73 T75 I83 Y127 S135 D147 C150	K72-I81 CarbonylContact C-O 3.48Å; K72-I81 VanDerWaalsContact CA-O 3.22Å; K72-I81 WeakPolarHBondContact CA-O 3.35Å; A73-I81 HydrophobicContact CB-CG1 4.48Å; A73-I81 PolarHBondContact N-O 3.45Å; A73-I81 WeakPolarHBondContact O-CG1 3.31Å; A73-I81 PolarHBondContact O-N 3.01Å; T75-I81 HydrophobicContact CG2-CD1 4.33Å; T75-I81 HydrophobicContact CG2-CG1 4.14Å; T75-I81 HydrophobicContact CG2-CG2 3.81Å; I81-I83 HydrophobicContact CD1-CD1 4.02Å; I81-I83 HydrophobicContact CD1-CG1 4.08Å; I81-I83 HydrophobicContact CG1-CD1 4.28Å; I81-I83 HydrophobicContact CG1-CG1 4.2Å; I81-Y127 HydrophobicContact CD1-CD2 4.26Å; I81-S135 WeakPolarHBondContact CA-OG 3.24Å; I81-D147 HydrophobicContact CD1-CB 4.29Å; I81-D147 WeakPolarHBondContact CD1-O 3.05Å; I81-D147 HydrophobicContact CG2-CB 4.07Å; I81-D147 WeakPolarHBondContact CG2-OD1 3.39Å; I81-C150 HydrophobicContact CD1-CB 3.94Å
82	A	98.7	Very high	95.8	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	137	168.6	0	0	0	0	0	110	Y35 L37 M71 L106 Y127 D128 A134 S135	Y35-A82 HydrophobicContact CE2-CB 4.42Å; Y35-A82 WeakPolarHBondContact OH-CB 3.38Å; L37-A82 HydrophobicContact CD1-CB 3.71Å; M71-A82 WeakPolarHBondContact O-CA 3.36Å; A82-L106 HydrophobicContact CB-CD1 3.78Å; A82-L106 WeakPolarHBondContact O-CD1 3.29Å; A82-Y127 WeakPolarHBondContact O-CA 3.41Å; A82-D128 PolarHBondContact O-N 3.22Å; A82-A134 HydrophobicContact CB-CB 4.26Å; A82-S135 PolarHBondContact N-OG 2.69Å
83	I	98.8	Very high	95.5	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	136.3	179	-58.3	177.3	0	0	0	108.1	S70 M71 A73 I81 M125 A151 V154	S70-I83 WeakPolarHBondContact CA-O 3.18Å; M71-I83 HydrophobicContact CG-CB 3.86Å; M71-I83 HydrophobicContact CG-CG2 4.44Å; M71-I83 PolarHBondContact N-O 3Å; M71-I83 PolarHBondContact O-N 3.42Å; A73-I83 HydrophobicContact CB-CD1 3.73Å; I81-I83 HydrophobicContact CD1-CD1 4.02Å; I81-I83 HydrophobicContact CD1-CG1 4.08Å; I81-I83 HydrophobicContact CG1-CD1 4.28Å; I81-I83 HydrophobicContact CG1-CG1 4.2Å; I83-M125 HydrophobicContact CG2-CE 3.97Å; I83-M125 HydrophobicContact CG2-CG 3.64Å; I83-M125 HydrophobicContact CG2-SD 3.63Å; I83-A151 HydrophobicContact CD1-CB 4.29Å; I83-V154 HydrophobicContact CD1-CB 4.27Å; I83-V154 HydrophobicContact CD1-CG2 3.83Å
84	L	98.4	Very high	95.5	Very high	1 Å²	1	48.2 Å²	48.2	1%	0.005	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	131.1	165.8	-64.8	-175.1	0	0	0	109.4	F50 M68 E69 L106 L110 M113 M125 C126	F50-L84 HydrophobicContact CD2-CD1 4.29Å; F50-L84 HydrophobicContact CD2-CD2 3.65Å; F50-L84 HydrophobicContact CD2-CG 4.47Å; F50-L84 HydrophobicContact CE2-CD1 3.79Å; F50-L84 HydrophobicContact CE2-CD2 3.98Å; F50-L84 HydrophobicContact CE2-CG 4.32Å; F50-L84 HydrophobicContact CG-CD2 4.36Å; F50-L84 HydrophobicContact CZ-CD1 4.21Å; M68-L84 HydrophobicContact CE-CD2 3.9Å; M68-L84 HydrophobicContact SD-CB 4.48Å; M68-L84 HydrophobicContact SD-CD1 3.81Å; M68-L84 HydrophobicContact SD-CD2 3.95Å; M68-L84 HydrophobicContact SD-CG 4.29Å; E69-L84 WeakPolarHBondContact O-CA 3.45Å; L84-L106 HydrophobicContact CB-CD2 4.23Å; L84-L106 HydrophobicContact CD1-CB 3.96Å; L84-L106 HydrophobicContact CD1-CD2 4.01Å; L84-L106 HydrophobicContact CD1-CG 4.41Å; L84-L106 HydrophobicContact CG-CB 4.33Å; L84-L106 HydrophobicContact CG-CD1 4.07Å; L84-L106 HydrophobicContact CG-CD2 3.95Å; L84-L106 HydrophobicContact CG-CG 4.34Å; L84-L110 HydrophobicContact CD1-CD1 4.34Å; L84-M113 HydrophobicContact CB-CE 3.86Å; L84-M113 HydrophobicContact CD1-SD 4.4Å; L84-M125 VanDerWaalsContact O-CA 3.31Å; L84-M125 WeakPolarHBondContact O-CA 3.49Å; L84-C126 PolarHBondContact N-O 2.91Å; L84-C126 PolarHBondContact O-N 2.96Å; L84-C126 VanDerWaalsContact O-O 3.13Å
85	Y	98.2	Very high	95.4	Very high	18 Å²	18	43.9 Å²	43.9	7%	0.071	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	129.6	170.1	-179.3	-115	0	0	0	109.5	E69 P87 T95 N123 M125 L155 Y159	E69-Y85 PolarHBondContact N-O 3.25Å; E69-Y85 PolarHBondContact O-N 3.26Å; Y85-P87 HydrophobicContact CD1-CG 4.48Å; Y85-P87 HydrophobicContact CE1-CB 4.09Å; Y85-P87 HydrophobicContact CE1-CG 4.18Å; Y85-T95 HydrophobicContact CE2-CG2 4.02Å; Y85-N123 HydrophobicContact CE2-CB 4.26Å; Y85-M125 HydrophobicContact CD2-CB 4.1Å; Y85-M125 HydrophobicContact CD2-CE 3.91Å; Y85-M125 HydrophobicContact CG-CE 4.25Å; Y85-L155 HydrophobicContact CD2-CD2 4.17Å; Y85-L155 HydrophobicContact CE2-CD2 3.93Å; Y85-Y159 WeakPolarHBondContact CB-OH 3.48Å; Y85-Y159 AromaticContact CD1-CD1 3.78Å; Y85-Y159 HydrophobicContact CD1-CD1 3.78Å; Y85-Y159 HydrophobicContact CD1-CD2 4.23Å; Y85-Y159 AromaticContact CD1-CE1 3.24Å; Y85-Y159 HydrophobicContact CD1-CE1 3.24Å; Y85-Y159 AromaticContact CD1-CE2 3.74Å; Y85-Y159 HydrophobicContact CD1-CE2 3.74Å; Y85-Y159 HydrophobicContact CD1-CG 4.23Å; Y85-Y159 AromaticContact CD1-CZ 3.19Å; Y85-Y159 WeakPolarHBondContact CD1-OH 3.49Å; Y85-Y159 HydrophobicContact CD2-CD2 4.42Å; Y85-Y159 HydrophobicContact CD2-CE2 4.26Å; Y85-Y159 AromaticContact CE1-CD1 3.49Å; Y85-Y159 HydrophobicContact CE1-CD1 3.49Å; Y85-Y159 VanDerWaalsContact CE1-CD1 3.49Å; Y85-Y159 HydrophobicContact CE1-CD2 4.38Å; Y85-Y159 AromaticContact CE1-CE1 3.43Å; Y85-Y159 HydrophobicContact CE1-CE1 3.43Å; Y85-Y159 VanDerWaalsContact CE1-CE1 3.43Å; Y85-Y159 HydrophobicContact CE1-CE2 4.31Å; Y85-Y159 AromaticContact CE1-CG 3.97Å; Y85-Y159 HydrophobicContact CE1-CG 3.97Å; Y85-Y159 AromaticContact CE1-CZ 3.84Å; Y85-Y159 HydrophobicContact CG-CD2 4.23Å; Y85-Y159 HydrophobicContact CG-CE1 4.08Å; Y85-Y159 AromaticContact CG-CE2 3.68Å; Y85-Y159 HydrophobicContact CG-CE2 3.68Å; Y85-Y159 AromaticContact CG-CZ 3.57Å
86	M	96.2	Very high	95.4	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	92	-174.8	-169.6	-177.9	-60.3	0	0	109	P65 M68 I88 L110 M113 Y114 N123 I124	P65-M86 HydrophobicContact CG-CE 3.71Å; P65-M86 HydrophobicContact CG-SD 4.03Å; M68-M86 HydrophobicContact CB-CE 4.44Å; M68-M86 HydrophobicContact CG-CE 4.17Å; M68-M86 HydrophobicContact SD-CE 4.23Å; M86-I88 HydrophobicContact CG-CD1 3.94Å; M86-I88 PolarHBondContact O-N 3.35Å; M86-I88 HydrophobicContact SD-CD1 3.91Å; M86-L110 HydrophobicContact CE-CD1 3.75Å; M86-M113 HydrophobicContact CE-CB 4.17Å; M86-M113 HydrophobicContact CE-CE 4.45Å; M86-Y114 HydrophobicContact SD-CD2 3.99Å; M86-N123 WeakPolarHBondContact O-CA 3.49Å; M86-I124 HydrophobicContact CB-CB 4.48Å; M86-I124 PolarHBondContact N-O 3.06Å; M86-I124 PolarHBondContact O-N 3.49Å
87	P	95.7	Very high	95.5	Very high	37 Å²	37	36.1 Å²	36.1	24%	0.24	21%	0.208	C	C	.	.			trans	-70.7	121	170.7	28.4	-32	0	0	0	109.4	N67 Y85 N123	N67-P87 PolarHBondContact ND2-O 3.41Å; N67-P87 VanDerWaalsContact O-CD 3.28Å; N67-P87 WeakPolarHBondContact O-CD 3.28Å; Y85-P87 HydrophobicContact CD1-CG 4.48Å; Y85-P87 HydrophobicContact CE1-CB 4.09Å; Y85-P87 HydrophobicContact CE1-CG 4.18Å; P87-N123 VanDerWaalsContact CA-OD1 3.28Å; P87-N123 WeakPolarHBondContact CA-OD1 3.24Å
88	I	91.4	Very high	95.5	Very high	30 Å²	30	30.1 Å²	30.1	15%	0.154	19%	0.186	C	C	.	.			trans	-83.3	-51.6	-172.4	-66.1	-62.8	0	0	0	111.8	M86 V122 N123	M86-I88 HydrophobicContact CG-CD1 3.94Å; M86-I88 PolarHBondContact O-N 3.35Å; M86-I88 HydrophobicContact SD-CD1 3.91Å; I88-V122 WeakPolarHBondContact CG1-O 3.44Å; I88-N123 PolarHBondContact N-OD1 3.25Å
89	N	87.9	Confident	95.5	Very high	67 Å²	67	27.8 Å²	27.8	36%	0.358	16%	0.161	S	C	.	.			trans	-156.3	170.9	169.8	60.9	65.3	0	0	0	111	S91 S92 N121	N89-S91 PolarHBondContact O-N 3.36Å; N89-S91 WeakPolarHBondContact OD1-CA 3.33Å; N89-S91 WeakPolarHBondContact OD1-CB 3.22Å; N89-S91 PolarHBondContact OD1-N 2.68Å; N89-S91 PolarHBondContact OD1-OG 3.39Å; N89-S92 PolarHBondContact N-OG 3.07Å; N89-S92 WeakPolarHBondContact O-CB 3.27Å; N89-S92 PolarHBondContact O-N 3.35Å; N89-S92 PolarHBondContact O-OG 3.09Å; N89-S92 PolarHBondContact OD1-N 3.16Å; N89-S92 VanDerWaalsContact OD1-N 3.14Å; N89-S92 PolarHBondContact OD1-OG 3.32Å; N89-N121 PolarHBondContact ND2-OD1 3.02Å; N89-N121 PolarHBondContact OD1-OD1 3.25Å
90	S	86.6	Confident	95.5	Very high	134 Å²	134	26.7 Å²	26.7	94%	0.937	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-17.9	-177.6	54.9	0	0	0	0	114.6
91	S	86.8	Confident	95.3	Very high	71 Å²	71	24 Å²	24	50%	0.497	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-12.6	178.2	78.4	0	0	0	0	113.6	N89 K93 N121	N89-S91 PolarHBondContact O-N 3.36Å; N89-S91 WeakPolarHBondContact OD1-CA 3.33Å; N89-S91 WeakPolarHBondContact OD1-CB 3.22Å; N89-S91 PolarHBondContact OD1-N 2.68Å; N89-S91 PolarHBondContact OD1-OG 3.39Å; S91-K93 PolarHBondContact O-N 3.42Å; S91-N121 PolarHBondContact OG-ND2 3.26Å; S91-N121 VanDerWaalsContact OG-ND2 3.15Å
92	S	89.5	Confident	94.8	Very high	11 Å²	11	25.9 Å²	25.9	8%	0.077	15%	0.152	C	C	.	.			trans	-67.1	103.4	-178.5	-56.7	0	0	0	0	110.9	N89 N121 N123	N89-S92 PolarHBondContact N-OG 3.07Å; N89-S92 WeakPolarHBondContact O-CB 3.27Å; N89-S92 PolarHBondContact O-N 3.35Å; N89-S92 PolarHBondContact O-OG 3.09Å; N89-S92 PolarHBondContact OD1-N 3.16Å; N89-S92 VanDerWaalsContact OD1-N 3.14Å; N89-S92 PolarHBondContact OD1-OG 3.32Å; S92-N121 WeakPolarHBondContact CB-O 3.33Å; S92-N121 PolarHBondContact OG-O 3.24Å; S92-N121 PolarHBondContact OG-OD1 3.02Å; S92-N123 WeakPolarHBondContact CB-OD1 3.48Å; S92-N123 PolarHBondContact O-ND2 3.45Å
93	K	91.2	Very high	94.4	Very high	111 Å²	111	26.9 Å²	26.9	48%	0.483	16%	0.16	S	C	.	.			trans	-80.6	-31.7	-179.4	-63.2	176.1	-173	160.4	0	113.9	S91 Q165 D288	S91-K93 PolarHBondContact O-N 3.42Å; K93-Q165 WeakPolarHBondContact O-CB 3.33Å; K93-D288 VanDerWaalsContact CD-OD1 3.26Å; K93-D288 WeakPolarHBondContact CD-OD1 3.34Å; K93-D288 IonicContact NZ-OD1 2.91Å; K93-D288 PolarHBondContact NZ-OD1 3.44Å; K93-D288 IonicContact NZ-OD2 2.72Å; K93-D288 PolarHBondContact NZ-OD2 2.84Å
94	L	97.6	Very high	94	Very high	9 Å²	9	28.1 Å²	28.1	5%	0.047	17%	0.168	C	C	.	.			trans	-98.4	148.5	-177.1	-60.8	-176.2	0	0	0	110.8	V122 N123 Q165 V167 A188 V283 V287	L94-V122 HydrophobicContact CB-CB 4.47Å; L94-V122 HydrophobicContact CB-CG1 3.99Å; L94-N123 PolarHBondContact O-N 3.03Å; L94-Q165 CarbonylContact C-O 3.6Å; L94-Q165 WeakPolarHBondContact CA-O 3.32Å; L94-Q165 HydrophobicContact CD2-CB 4.45Å; L94-V167 HydrophobicContact CD1-CG2 4.18Å; L94-A188 HydrophobicContact CD2-CB 4.46Å; L94-V283 HydrophobicContact CD1-CG1 4.06Å; L94-V283 HydrophobicContact CD1-CG2 4.47Å; L94-V287 HydrophobicContact CD1-CB 4.03Å; L94-V287 HydrophobicContact CD1-CG1 3.57Å; L94-V287 HydrophobicContact CD2-CG1 3.82Å; L94-V287 HydrophobicContact CG-CG1 4.35Å
95	T	98.5	Very high	93.9	Very high	2 Å²	2	28 Å²	28	1%	0.012	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	123.1	173.1	-55.2	0	0	0	0	110.1	Y85 N123 L155 Q165 I166 V167	Y85-T95 HydrophobicContact CE2-CG2 4.02Å; T95-N123 CarbonylContact C-O 3.52Å; T95-N123 VanDerWaalsContact CA-O 3.28Å; T95-N123 WeakPolarHBondContact CA-O 3.33Å; T95-N123 HydrophobicContact CG2-CB 3.99Å; T95-L155 HydrophobicContact CG2-CD1 4.16Å; T95-L155 HydrophobicContact CG2-CD2 3.63Å; T95-Q165 PolarHBondContact N-O 3.02Å; T95-I166 CarbonylContact O-C 3.17Å; T95-I166 WeakPolarHBondContact O-CA 3.27Å; T95-V167 PolarHBondContact O-N 3.49Å
96	F	98.8	Very high	93.9	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	125.6	174.9	-75.9	31.4	0	0	0	109	L98 L116 L120 V122 N123 I124 M125 V167 Y169 V283	F96-L98 HydrophobicContact CB-CD2 4.02Å; F96-L98 HydrophobicContact CD2-CD2 4.33Å; F96-L116 HydrophobicContact CD2-CD2 4.21Å; F96-L120 HydrophobicContact CE2-CD1 3.93Å; F96-L120 HydrophobicContact CZ-CD1 3.97Å; F96-V122 HydrophobicContact CD1-CB 4Å; F96-V122 HydrophobicContact CD1-CG1 4.3Å; F96-V122 HydrophobicContact CD1-CG2 3.69Å; F96-V122 HydrophobicContact CD2-CG2 4.49Å; F96-V122 HydrophobicContact CE1-CB 4.1Å; F96-V122 HydrophobicContact CE1-CG1 3.9Å; F96-V122 HydrophobicContact CE1-CG2 3.84Å; F96-V122 HydrophobicContact CG-CG2 4.06Å; F96-V122 HydrophobicContact CZ-CG2 4.3Å; F96-N123 PolarHBondContact N-O 2.65Å; F96-I124 HydrophobicContact CB-CD1 3.79Å; F96-I124 HydrophobicContact CG-CD1 4.23Å; F96-M125 PolarHBondContact O-N 3.27Å; F96-V167 CarbonylContact C-O 3.58Å; F96-V167 VanDerWaalsContact CA-O 3.28Å; F96-V167 WeakPolarHBondContact CA-O 3.32Å; F96-V167 HydrophobicContact CD1-CB 3.61Å; F96-V167 HydrophobicContact CD1-CG1 4.16Å; F96-V167 HydrophobicContact CD1-CG2 4.02Å; F96-V167 HydrophobicContact CE1-CB 3.67Å; F96-V167 HydrophobicContact CE1-CG1 3.97Å; F96-V167 HydrophobicContact CE1-CG2 3.7Å; F96-V167 HydrophobicContact CE2-CG1 4.35Å; F96-V167 HydrophobicContact CG-CB 4.16Å; F96-V167 HydrophobicContact CG-CG1 4.41Å; F96-V167 HydrophobicContact CZ-CB 4.3Å; F96-V167 HydrophobicContact CZ-CG1 4.07Å; F96-V167 HydrophobicContact CZ-CG2 4.45Å; F96-Y169 HydrophobicContact CD2-CD2 4.4Å; F96-V283 HydrophobicContact CE1-CG2 3.85Å; F96-V283 HydrophobicContact CZ-CG2 3.58Å
97	L	98.9	Very high	93.8	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.005	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	102.5	167.7	178.7	58.9	0	0	0	108.5	M125 Y127 A151 L152 L155 I166 V167 L168 Y169 L181	L97-M125 CarbonylContact C-O 3.48Å; L97-M125 WeakPolarHBondContact CA-O 3.49Å; L97-M125 HydrophobicContact CD1-CB 4Å; L97-M125 HydrophobicContact CD1-CG 3.9Å; L97-M125 HydrophobicContact CD1-SD 4.04Å; L97-Y127 HydrophobicContact CD1-CD1 3.78Å; L97-Y127 HydrophobicContact CD1-CE1 3.87Å; L97-Y127 HydrophobicContact CG-CE1 4.25Å; L97-A151 HydrophobicContact CD1-CB 3.92Å; L97-L152 HydrophobicContact CD2-CB 3.88Å; L97-L152 HydrophobicContact CD2-CD1 4.21Å; L97-L155 HydrophobicContact CB-CD1 3.96Å; L97-L155 HydrophobicContact CD1-CD1 4.24Å; L97-L155 HydrophobicContact CD2-CD1 4.38Å; L97-L155 HydrophobicContact CG-CD1 4.42Å; L97-I166 HydrophobicContact CB-CG2 4.39Å; L97-V167 PolarHBondContact N-O 2.86Å; L97-L168 HydrophobicContact CB-CD2 4.1Å; L97-L168 HydrophobicContact CD2-CD2 3.85Å; L97-L168 HydrophobicContact CG-CD2 4.41Å; L97-Y169 PolarHBondContact O-N 2.87Å; L97-L181 HydrophobicContact CD2-CD1 3.92Å
98	L	98.8	Very high	93.7	Very high	2 Å²	2	26.6 Å²	26.6	1%	0.01	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	125.7	-177.6	-54.6	-174.2	0	0	0	111.2	F96 M109 F112 M113 L116 I124 M125 C126 Y127 Y169	F96-L98 HydrophobicContact CB-CD2 4.02Å; F96-L98 HydrophobicContact CD2-CD2 4.33Å; L98-M109 HydrophobicContact CD1-CE 4.31Å; L98-F112 HydrophobicContact CD1-CD1 4.32Å; L98-F112 HydrophobicContact CD1-CE1 4.19Å; L98-M113 HydrophobicContact CD1-CG 3.84Å; L98-L116 HydrophobicContact CD2-CD2 4.27Å; L98-I124 HydrophobicContact CD1-CG2 3.48Å; L98-I124 VanDerWaalsContact CD1-CG2 3.48Å; L98-I124 HydrophobicContact CG-CG2 3.76Å; L98-M125 PolarHBondContact N-O 3.48Å; L98-C126 HydrophobicContact CB-CB 4.14Å; L98-Y127 WeakPolarHBondContact O-CD1 3.42Å; L98-Y127 VanDerWaalsContact O-CE1 3.3Å; L98-Y127 WeakPolarHBondContact O-CE1 3.33Å; L98-Y169 CarbonylContact C-O 3.58Å; L98-Y169 WeakPolarHBondContact CA-O 3.27Å; L98-Y169 HydrophobicContact CD2-CD1 3.6Å; L98-Y169 HydrophobicContact CD2-CD2 4.24Å; L98-Y169 HydrophobicContact CD2-CE1 4.4Å; L98-Y169 HydrophobicContact CD2-CG 3.53Å
99	S	98.8	Very high	93.8	Very high	2 Å²	2	25.2 Å²	25.2	1%	0.014	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	106.6	164.5	-49.9	0	0	0	0	107.8	Y127 Y129 Y169 G170 Q171 G174 T178	S99-Y127 WeakPolarHBondContact CB-OH 3.3Å; S99-Y127 PolarHBondContact OG-OH 2.81Å; S99-Y129 WeakPolarHBondContact CB-OH 3.26Å; S99-Y169 PolarHBondContact N-O 3.38Å; S99-G170 WeakPolarHBondContact O-CA 3.37Å; S99-Q171 PolarHBondContact O-N 2.98Å; S99-Q171 VanDerWaalsContact O-N 3.11Å; S99-G174 VanDerWaalsContact CB-O 3.24Å; S99-G174 WeakPolarHBondContact CB-O 3.46Å; S99-G174 WeakPolarHBondContact O-CA 3.31Å; S99-T178 PolarHBondContact OG-OG1 2.85Å
100	H	97.7	Very high	94.1	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.005	14%	0.135	C	C	.	.			trans	-71.4	165.6	-171.5	64.4	78	0	0	0	113.8	V104 M109 Y127 D128 Y129 Y132 G174	H100-V104 PolarHBondContact CE1-O 2.89Å; H100-V104 PolarHBondContact ND1-O 3.34Å; H100-M109 HydrophobicContact CB-CE 4.03Å; H100-M109 HydrophobicContact CB-CG 3.72Å; H100-M109 HydrophobicContact CB-SD 3.58Å; H100-M109 VanDerWaalsContact CB-SD 3.58Å; H100-Y127 PolarHBondContact CD2-O 3.38Å; H100-Y127 PolarHBondContact NE2-O 3.47Å; H100-D128 IonicContact CD2-OD1 3.28Å; H100-D128 IonicContact CE1-OD1 3.47Å; H100-D128 IonicContact NE2-OD1 2.75Å; H100-D128 PolarHBondContact NE2-OD1 3.05Å; H100-Y129 AromaticContact CE1-CD2 3.5Å; H100-Y129 VanDerWaalsContact CE1-CD2 3.5Å; H100-Y129 WeakPolarHBondContact CE1-CD2 3.45Å; H100-Y129 AromaticContact CE1-CE2 3.36Å; H100-Y129 WeakPolarHBondContact CE1-CE2 3.4Å; H100-Y129 PolarHBondContact N-OH 2.77Å; H100-Y129 VanDerWaalsContact N-OH 3.12Å; H100-Y129 AromaticContact ND1-CE2 3.67Å; H100-Y129 AromaticContact NE2-CD2 3.8Å; H100-Y129 AromaticContact NE2-CE2 3.74Å; H100-Y129 PolarHBondContact O-OH 3.03Å; H100-Y132 AromaticContact CE1-CD1 3.77Å; H100-G174 WeakPolarHBondContact O-CA 3.37Å; H100-G174 PolarHBondContact O-N 2.85Å
101	G	93.6	Very high	94.3	Very high	6 Å²	6	18.5 Å²	18.5	6%	0.062	10%	0.103	C	C	.	.			trans	-68.5	179.5	174.9	0	0	0	0	0	113.9	Q171	G101-Q171 WeakPolarHBondContact CA-O 3.4Å
102	N	88.7	Confident	94.5	Very high	40 Å²	40	15.7 Å²	15.7	21%	0.214	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	169.4	169.6	-169.9	22.1	0	0	0	110.8	A27 M29 V104 Y132 I173	A27-N102 VanDerWaalsContact O-CG 3.23Å; A27-N102 PolarHBondContact O-ND2 3.2Å; M29-N102 PolarHBondContact N-OD1 2.87Å; N102-V104 WeakPolarHBondContact O-CG2 3.3Å; N102-V104 PolarHBondContact O-N 3.49Å; N102-Y132 PolarHBondContact OD1-OH 3.21Å; N102-I173 HydrophobicContact CB-CG2 3.99Å
103	A	89.6	Confident	94.7	Very high	21 Å²	21	15.1 Å²	15.1	17%	0.174	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.6	5.9	176.8	0	0	0	0	0	116	M29 P31 L378	M29-A103 VanDerWaalsContact O-CA 3.27Å; M29-A103 WeakPolarHBondContact O-CA 3.26Å; P31-A103 WeakPolarHBondContact CG-O 3.35Å; A103-L378 HydrophobicContact CB-CD2 4.18Å; A103-L378 VanDerWaalsContact O-CD2 3.25Å; A103-L378 WeakPolarHBondContact O-CD2 3.22Å
104	V	91.8	Very high	94.8	Very high	26 Å²	26	14 Å²	14	16%	0.158	7%	0.072	C	C	.	.			trans	-120.9	151.8	-178.7	178.9	0	0	0	0	108.7	H100 N102 L108 M109 Y132 L378	H100-V104 PolarHBondContact CE1-O 2.89Å; H100-V104 PolarHBondContact ND1-O 3.34Å; N102-V104 WeakPolarHBondContact O-CG2 3.3Å; N102-V104 PolarHBondContact O-N 3.49Å; V104-L108 HydrophobicContact CG1-CB 3.74Å; V104-M109 HydrophobicContact CG1-CG 3.64Å; V104-M109 HydrophobicContact CG1-SD 3.55Å; V104-M109 VanDerWaalsContact CG1-SD 3.55Å; V104-Y132 VanDerWaalsContact O-CD1 3.27Å; V104-Y132 WeakPolarHBondContact O-CD1 3.39Å; V104-L378 HydrophobicContact CG2-CD2 4.22Å
105	D	96.4	Very high	94.6	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.081	C	C	.	.			trans	-132.3	178.9	170.7	71.3	-6.7	0	0	0	110.4	P31 S34 Y35 G107 L108 M109 D128	P31-D105 HydrophobicContact CG-CB 4.12Å; S34-D105 WeakPolarHBondContact CB-OD1 3.12Å; S34-D105 PolarHBondContact N-OD2 3.46Å; S34-D105 VanDerWaalsContact OG-CG 3.26Å; S34-D105 PolarHBondContact OG-OD1 3.3Å; S34-D105 PolarHBondContact OG-OD2 3.02Å; Y35-D105 HydrophobicContact CE1-CB 4.3Å; D105-G107 VanDerWaalsContact C-N 3.28Å; D105-G107 PolarHBondContact O-N 3.27Å; D105-G107 PolarHBondContact OD1-N 3.47Å; D105-L108 PolarHBondContact O-N 2.84Å; D105-L108 VanDerWaalsContact O-N 3.09Å; D105-L108 WeakPolarHBondContact OD1-CG 3.48Å; D105-L108 PolarHBondContact OD1-N 2.97Å; D105-M109 WeakPolarHBondContact O-CG 3.13Å; D105-M109 PolarHBondContact O-N 3.48Å; D105-D128 VanDerWaalsContact CA-OD1 3.24Å; D105-D128 WeakPolarHBondContact CA-OD1 3.14Å
106	L	97.1	Very high	94.4	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-56.5	-35.9	-176.7	-76.9	168.8	0	0	0	114.8	Y35 F50 A82 L84 L108 M109 L110 C126 D128	Y35-L106 HydrophobicContact CD1-CB 4.26Å; Y35-L106 HydrophobicContact CE1-CB 3.76Å; Y35-L106 HydrophobicContact CE2-CB 4.48Å; F50-L106 HydrophobicContact CE2-CB 4.5Å; A82-L106 HydrophobicContact CB-CD1 3.78Å; A82-L106 WeakPolarHBondContact O-CD1 3.29Å; L84-L106 HydrophobicContact CB-CD2 4.23Å; L84-L106 HydrophobicContact CD1-CB 3.96Å; L84-L106 HydrophobicContact CD1-CD2 4.01Å; L84-L106 HydrophobicContact CD1-CG 4.41Å; L84-L106 HydrophobicContact CG-CB 4.33Å; L84-L106 HydrophobicContact CG-CD1 4.07Å; L84-L106 HydrophobicContact CG-CD2 3.95Å; L84-L106 HydrophobicContact CG-CG 4.34Å; L106-L108 VanDerWaalsContact C-N 3.34Å; L106-M109 PolarHBondContact O-N 3.38Å; L106-L110 PolarHBondContact O-N 3.02Å; L106-L110 VanDerWaalsContact O-N 3.09Å; L106-C126 HydrophobicContact CD2-CB 3.64Å; L106-D128 HydrophobicContact CD1-CB 4.01Å; L106-D128 HydrophobicContact CG-CB 4.17Å; L106-D128 PolarHBondContact N-OD1 3.48Å; L106-D128 PolarHBondContact N-OD2 3.02Å
107	G	94.7	Very high	94.2	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-68	-34.9	177.8	0	0	0	0	0	113.1	S34 D105	S34-G107 VanDerWaalsContact OG-C 3.29Å; S34-G107 WeakPolarHBondContact OG-CA 3.46Å; D105-G107 VanDerWaalsContact C-N 3.28Å; D105-G107 PolarHBondContact O-N 3.27Å; D105-G107 PolarHBondContact OD1-N 3.47Å
108	L	92.9	Very high	94	Very high	24 Å²	24	18.7 Å²	18.7	13%	0.126	10%	0.099	C	C	.	.	H	α-helix	trans	-73.1	-34.6	171.9	-68.6	172	0	0	0	111.6	P31 S34 L56 V104 D105 L106 L110 Y382	P31-L108 HydrophobicContact CG-CD1 4.25Å; S34-L108 PolarHBondContact OG-N 2.8Å; S34-L108 VanDerWaalsContact OG-N 3.15Å; L56-L108 HydrophobicContact CD1-CD2 4.11Å; L56-L108 HydrophobicContact CD2-CD2 3.84Å; V104-L108 HydrophobicContact CG1-CB 3.74Å; D105-L108 PolarHBondContact O-N 2.84Å; D105-L108 VanDerWaalsContact O-N 3.09Å; D105-L108 WeakPolarHBondContact OD1-CG 3.48Å; D105-L108 PolarHBondContact OD1-N 2.97Å; L106-L108 VanDerWaalsContact C-N 3.34Å; L108-L110 VanDerWaalsContact C-N 3.31Å; L108-L110 PolarHBondContact O-N 2.77Å; L108-Y382 VanDerWaalsContact O-CE2 3.26Å; L108-Y382 WeakPolarHBondContact O-CE2 2.87Å
109	M	94	Very high	93.8	Very high	2 Å²	2	22.2 Å²	22.2	1%	0.01	11%	0.114	C	C	.	.	H	α-helix	trans	-70.1	-22.2	177.7	-71.8	-58.2	-64.2	0	0	114.7	L98 H100 V104 D105 L106 H111 F112 M113 Y382	L98-M109 HydrophobicContact CD1-CE 4.31Å; H100-M109 HydrophobicContact CB-CE 4.03Å; H100-M109 HydrophobicContact CB-CG 3.72Å; H100-M109 HydrophobicContact CB-SD 3.58Å; H100-M109 VanDerWaalsContact CB-SD 3.58Å; V104-M109 HydrophobicContact CG1-CG 3.64Å; V104-M109 HydrophobicContact CG1-SD 3.55Å; V104-M109 VanDerWaalsContact CG1-SD 3.55Å; D105-M109 WeakPolarHBondContact O-CG 3.13Å; D105-M109 PolarHBondContact O-N 3.48Å; L106-M109 PolarHBondContact O-N 3.38Å; M109-H111 VanDerWaalsContact C-N 3.35Å; M109-H111 PolarHBondContact O-N 2.89Å; M109-F112 HydrophobicContact CE-CD1 3.53Å; M109-F112 HydrophobicContact CE-CE1 4.02Å; M109-F112 HydrophobicContact CE-CG 4.47Å; M109-F112 WeakPolarHBondContact O-CB 3.36Å; M109-F112 PolarHBondContact O-N 2.73Å; M109-F112 VanDerWaalsContact O-N 3.11Å; M109-M113 HydrophobicContact CB-CG 4.3Å; M109-M113 HydrophobicContact CB-SD 4.04Å; M109-M113 WeakPolarHBondContact O-CG 3.31Å; M109-M113 PolarHBondContact O-N 3.15Å; M109-Y382 PolarHBondContact SD-OH 3.08Å
110	L	93.5	Very high	93.6	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.005	11%	0.114	C	C	.	.	H	α-helix	trans	-52.8	-47.2	-166.5	-179.3	61.3	0	0	0	114	F50 L52 F63 V64 M68 L84 M86 L106 L108 M113 Y114	F50-L110 HydrophobicContact CE1-CD2 3.98Å; L52-L110 HydrophobicContact CD1-CD2 4.23Å; L52-L110 HydrophobicContact CD2-CD2 4.18Å; L52-L110 HydrophobicContact CG-CD2 4.44Å; F63-L110 WeakPolarHBondContact O-CD2 3.21Å; V64-L110 HydrophobicContact CG2-CD2 4.04Å; M68-L110 HydrophobicContact SD-CD1 3.35Å; M68-L110 WeakPolarHBondContact SD-CD1 3.37Å; L84-L110 HydrophobicContact CD1-CD1 4.34Å; M86-L110 HydrophobicContact CE-CD1 3.75Å; L106-L110 PolarHBondContact O-N 3.02Å; L106-L110 VanDerWaalsContact O-N 3.09Å; L108-L110 VanDerWaalsContact C-N 3.31Å; L108-L110 PolarHBondContact O-N 2.77Å; L110-M113 PolarHBondContact O-N 3.35Å; L110-Y114 PolarHBondContact O-N 2.93Å; L110-Y114 VanDerWaalsContact O-N 3.08Å
111	H	90.6	Very high	93.5	Very high	59 Å²	59	24.7 Å²	24.7	27%	0.273	13%	0.127	S	C	.	.	H	α-helix	trans	-65.8	-42.4	-178.3	-179.3	74.4	0	0	0	112	I61 M109 Y114 E115	I61-H111 HydrophobicContact CD1-CB 4.41Å; I61-H111 HydrophobicContact CG2-CB 4.41Å; M109-H111 VanDerWaalsContact C-N 3.35Å; M109-H111 PolarHBondContact O-N 2.89Å; H111-Y114 PolarHBondContact O-N 2.83Å; H111-E115 IonicContact CE1-OE1 3.71Å; H111-E115 IonicContact NE2-OE1 3.19Å; H111-E115 PolarHBondContact NE2-OE1 3.03Å; H111-E115 PolarHBondContact O-N 2.8Å
112	F	92.2	Very high	93.7	Very high	11 Å²	11	24.4 Å²	24.4	5%	0.048	13%	0.125	C	C	.	.	H	α-helix	trans	-63.3	-42.3	175.9	175.8	-103.9	0	0	0	112.9	L98 M109 Y114 E115 L116 E270 Y382	L98-F112 HydrophobicContact CD1-CD1 4.32Å; L98-F112 HydrophobicContact CD1-CE1 4.19Å; M109-F112 HydrophobicContact CE-CD1 3.53Å; M109-F112 HydrophobicContact CE-CE1 4.02Å; M109-F112 HydrophobicContact CE-CG 4.47Å; M109-F112 WeakPolarHBondContact O-CB 3.36Å; M109-F112 PolarHBondContact O-N 2.73Å; M109-F112 VanDerWaalsContact O-N 3.11Å; F112-Y114 VanDerWaalsContact C-N 3.31Å; F112-Y114 PolarHBondContact O-N 2.92Å; F112-E115 PolarHBondContact O-N 2.87Å; F112-L116 HydrophobicContact CE1-CD2 3.89Å; F112-L116 HydrophobicContact CZ-CD2 3.92Å; F112-L116 WeakPolarHBondContact O-CB 3.47Å; F112-L116 PolarHBondContact O-N 3.17Å; F112-E270 HydrophobicContact CE2-CB 4.36Å; F112-Y382 HydrophobicContact CB-CD1 3.6Å; F112-Y382 HydrophobicContact CB-CD2 4.04Å; F112-Y382 HydrophobicContact CB-CE1 3.23Å; F112-Y382 HydrophobicContact CB-CE2 3.7Å; F112-Y382 HydrophobicContact CB-CG 3.97Å; F112-Y382 HydrophobicContact CD1-CE1 4.35Å; F112-Y382 AromaticContact CD2-CD1 3.6Å; F112-Y382 HydrophobicContact CD2-CD1 3.6Å; F112-Y382 AromaticContact CD2-CE1 3.33Å; F112-Y382 HydrophobicContact CD2-CE1 3.33Å; F112-Y382 HydrophobicContact CE2-CE1 4.24Å; F112-Y382 AromaticContact CG-CD1 3.94Å; F112-Y382 HydrophobicContact CG-CD1 3.94Å; F112-Y382 AromaticContact CG-CE1 3.39Å; F112-Y382 HydrophobicContact CG-CE1 3.39Å; F112-Y382 AromaticContact CG-CZ 3.78Å
113	M	94.3	Very high	94.1	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-56.2	-49.5	174.6	-67.1	170.1	63.1	0	0	110.6	L84 M86 L98 M109 L110 G117 I124 C126	L84-M113 HydrophobicContact CB-CE 3.86Å; L84-M113 HydrophobicContact CD1-SD 4.4Å; M86-M113 HydrophobicContact CE-CB 4.17Å; M86-M113 HydrophobicContact CE-CE 4.45Å; L98-M113 HydrophobicContact CD1-CG 3.84Å; M109-M113 HydrophobicContact CB-CG 4.3Å; M109-M113 HydrophobicContact CB-SD 4.04Å; M109-M113 WeakPolarHBondContact O-CG 3.31Å; M109-M113 PolarHBondContact O-N 3.15Å; L110-M113 PolarHBondContact O-N 3.35Å; M113-G117 PolarHBondContact O-N 2.99Å; M113-I124 HydrophobicContact CB-CG2 3.96Å; M113-I124 HydrophobicContact CE-CB 4.47Å; M113-I124 HydrophobicContact CE-CG2 3.82Å; M113-I124 HydrophobicContact CG-CG2 3.9Å; M113-C126 HydrophobicContact CE-CB 3.46Å; M113-C126 VanDerWaalsContact CE-CB 3.46Å; M113-C126 HydrophobicContact CG-CB 4.2Å; M113-C126 HydrophobicContact SD-CB 3.37Å; M113-C126 WeakPolarHBondContact SD-CB 3.35Å
114	Y	92.9	Very high	94.5	Very high	87 Å²	87	22.2 Å²	22.2	34%	0.341	11%	0.11	S	C	.	.	H	α-helix	trans	-62.5	-49.5	-180	179.1	-102	0	0	0	112.3	F63 P65 M86 L110 H111 F112 S118	F63-Y114 HydrophobicContact CE1-CD1 4.42Å; F63-Y114 HydrophobicContact CE1-CD2 4Å; F63-Y114 HydrophobicContact CE1-CE1 4.16Å; F63-Y114 AromaticContact CE1-CE2 3.72Å; F63-Y114 HydrophobicContact CE1-CE2 3.72Å; F63-Y114 HydrophobicContact CE1-CG 4.34Å; F63-Y114 AromaticContact CE1-CZ 3.8Å; F63-Y114 HydrophobicContact CZ-CE2 4.47Å; P65-Y114 HydrophobicContact CB-CD2 4.2Å; P65-Y114 HydrophobicContact CB-CE2 4.48Å; P65-Y114 HydrophobicContact CG-CD2 3.64Å; P65-Y114 HydrophobicContact CG-CE2 4.31Å; P65-Y114 HydrophobicContact CG-CG 4.22Å; M86-Y114 HydrophobicContact SD-CD2 3.99Å; L110-Y114 PolarHBondContact O-N 2.93Å; L110-Y114 VanDerWaalsContact O-N 3.08Å; H111-Y114 PolarHBondContact O-N 2.83Å; F112-Y114 VanDerWaalsContact C-N 3.31Å; F112-Y114 PolarHBondContact O-N 2.92Å; Y114-S118 VanDerWaalsContact O-CB 3.24Å; Y114-S118 WeakPolarHBondContact O-CB 3.23Å; Y114-S118 PolarHBondContact O-N 2.92Å; Y114-S118 PolarHBondContact O-OG 2.95Å
115	E	92	Very high	94.9	Very high	52 Å²	52	21 Å²	21	24%	0.243	10%	0.102	C	C	.	.	H	α-helix	trans	-62.6	-46.2	179.3	-74.4	-148.9	155.8	0	0	112.3	H111 F112 S118 K119	H111-E115 IonicContact CE1-OE1 3.71Å; H111-E115 IonicContact NE2-OE1 3.19Å; H111-E115 PolarHBondContact NE2-OE1 3.03Å; H111-E115 PolarHBondContact O-N 2.8Å; F112-E115 PolarHBondContact O-N 2.87Å; E115-S118 PolarHBondContact O-N 3.38Å; E115-K119 VanDerWaalsContact O-CB 3.32Å; E115-K119 WeakPolarHBondContact O-CB 3.44Å; E115-K119 VanDerWaalsContact O-CG 3.24Å; E115-K119 WeakPolarHBondContact O-CG 3.27Å; E115-K119 PolarHBondContact O-N 2.96Å; E115-K119 IonicContact OE1-NZ 3.17Å; E115-K119 IonicContact OE2-NZ 3.63Å; E115-K119 PolarHBondContact OE2-NZ 3.24Å
116	L	95.1	Very high	95	Very high	7 Å²	7	21 Å²	21	4%	0.037	10%	0.102	C	C	.	.	H	α-helix	trans	-62.8	-49.2	-178.6	-175.8	67.4	0	0	0	110.8	F96 L98 F112 S118 K119 L120 I124 L279	F96-L116 HydrophobicContact CD2-CD2 4.21Å; L98-L116 HydrophobicContact CD2-CD2 4.27Å; F112-L116 HydrophobicContact CE1-CD2 3.89Å; F112-L116 HydrophobicContact CZ-CD2 3.92Å; F112-L116 WeakPolarHBondContact O-CB 3.47Å; F112-L116 PolarHBondContact O-N 3.17Å; L116-S118 PolarHBondContact O-N 3.27Å; L116-K119 PolarHBondContact O-N 3.21Å; L116-L120 HydrophobicContact CD1-CD1 3.56Å; L116-L120 HydrophobicContact CD1-CG 4.2Å; L116-L120 HydrophobicContact CG-CD1 4.04Å; L116-L120 WeakPolarHBondContact O-CB 3.4Å; L116-L120 WeakPolarHBondContact O-CG 3.45Å; L116-L120 PolarHBondContact O-N 2.9Å; L116-I124 HydrophobicContact CD2-CD1 4.43Å; L116-L279 HydrophobicContact CD1-CD1 3.88Å
117	G	95.7	Very high	95.1	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-61.2	-43	178.3	0	0	0	0	0	112.3	M113 N121 V122	M113-G117 PolarHBondContact O-N 2.99Å; G117-N121 VanDerWaalsContact O-CA 3.3Å; G117-N121 WeakPolarHBondContact O-CA 3.29Å; G117-N121 PolarHBondContact O-N 3.11Å; G117-V122 VanDerWaalsContact CA-O 3.29Å; G117-V122 WeakPolarHBondContact CA-O 3.46Å; G117-V122 PolarHBondContact O-N 2.99Å; G117-V122 VanDerWaalsContact O-N 3.11Å
118	S	93.4	Very high	95.3	Very high	52 Å²	52	21 Å²	21	36%	0.364	10%	0.102	S	C	.	.	H	α-helix	trans	-66.6	-45	179.4	-56.5	0	0	0	0	112.4	Y114 E115 L116	Y114-S118 VanDerWaalsContact O-CB 3.24Å; Y114-S118 WeakPolarHBondContact O-CB 3.23Å; Y114-S118 PolarHBondContact O-N 2.92Å; Y114-S118 PolarHBondContact O-OG 2.95Å; E115-S118 PolarHBondContact O-N 3.38Å; L116-S118 PolarHBondContact O-N 3.27Å
119	K	94.4	Very high	95.5	Very high	76 Å²	76	19.9 Å²	19.9	33%	0.33	10%	0.097	S	C	.	.	H	α-helix	trans	-69.9	-35.5	-178.5	-70.4	169.5	177	167.9	0	112.5	E115 L116 L276	E115-K119 VanDerWaalsContact O-CB 3.32Å; E115-K119 WeakPolarHBondContact O-CB 3.44Å; E115-K119 VanDerWaalsContact O-CG 3.24Å; E115-K119 WeakPolarHBondContact O-CG 3.27Å; E115-K119 PolarHBondContact O-N 2.96Å; E115-K119 IonicContact OE1-NZ 3.17Å; E115-K119 IonicContact OE2-NZ 3.63Å; E115-K119 PolarHBondContact OE2-NZ 3.24Å; L116-K119 PolarHBondContact O-N 3.21Å; K119-L276 HydrophobicContact CB-CD1 3.84Å; K119-L276 HydrophobicContact CB-CD2 4.26Å; K119-L276 HydrophobicContact CD-CD1 4.23Å; K119-L276 HydrophobicContact CD-CD2 3.83Å; K119-L276 HydrophobicContact CG-CD2 4.38Å
120	L	95.1	Very high	95.7	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-93.9	-7.8	-179.5	-61.6	-178.7	0	0	0	114.4	F96 L116 V122 L276 L279 E280 V283 H284	F96-L120 HydrophobicContact CE2-CD1 3.93Å; F96-L120 HydrophobicContact CZ-CD1 3.97Å; L116-L120 HydrophobicContact CD1-CD1 3.56Å; L116-L120 HydrophobicContact CD1-CG 4.2Å; L116-L120 HydrophobicContact CG-CD1 4.04Å; L116-L120 WeakPolarHBondContact O-CB 3.4Å; L116-L120 WeakPolarHBondContact O-CG 3.45Å; L116-L120 PolarHBondContact O-N 2.9Å; L120-V122 HydrophobicContact CB-CG1 4.14Å; L120-V122 HydrophobicContact CB-CG2 3.94Å; L120-L276 HydrophobicContact CD2-CD1 3.83Å; L120-L276 HydrophobicContact CG-CD1 4.28Å; L120-L279 HydrophobicContact CD1-CB 3.88Å; L120-L279 HydrophobicContact CD1-CD1 4.36Å; L120-L279 HydrophobicContact CD2-CB 3.99Å; L120-E280 HydrophobicContact CD2-CB 4.2Å; L120-E280 HydrophobicContact CD2-CG 3.54Å; L120-V283 HydrophobicContact CD1-CG2 4.34Å; L120-H284 PolarHBondContact O-CE1 3.12Å; L120-H284 PolarHBondContact O-NE2 3.16Å
121	N	95.6	Very high	95.9	Very high	54 Å²	54	21 Å²	21	29%	0.289	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.6	51.5	-171.3	-174.1	18.5	0	0	0	113	N89 S91 S92 G117	N89-N121 PolarHBondContact ND2-OD1 3.02Å; N89-N121 PolarHBondContact OD1-OD1 3.25Å; S91-N121 PolarHBondContact OG-ND2 3.26Å; S91-N121 VanDerWaalsContact OG-ND2 3.15Å; S92-N121 WeakPolarHBondContact CB-O 3.33Å; S92-N121 PolarHBondContact OG-O 3.24Å; S92-N121 PolarHBondContact OG-OD1 3.02Å; G117-N121 VanDerWaalsContact O-CA 3.3Å; G117-N121 WeakPolarHBondContact O-CA 3.29Å; G117-N121 PolarHBondContact O-N 3.11Å
122	V	97.3	Very high	96.2	Very high	1 Å²	1	18.1 Å²	18.1	1%	0.006	10%	0.095	C	C	.	.			trans	-131.6	144.4	-180	-58.5	0	0	0	0	111.3	I88 L94 F96 G117 L120 I124 V283	I88-V122 WeakPolarHBondContact CG1-O 3.44Å; L94-V122 HydrophobicContact CB-CB 4.47Å; L94-V122 HydrophobicContact CB-CG1 3.99Å; F96-V122 HydrophobicContact CD1-CB 4Å; F96-V122 HydrophobicContact CD1-CG1 4.3Å; F96-V122 HydrophobicContact CD1-CG2 3.69Å; F96-V122 HydrophobicContact CD2-CG2 4.49Å; F96-V122 HydrophobicContact CE1-CB 4.1Å; F96-V122 HydrophobicContact CE1-CG1 3.9Å; F96-V122 HydrophobicContact CE1-CG2 3.84Å; F96-V122 HydrophobicContact CG-CG2 4.06Å; F96-V122 HydrophobicContact CZ-CG2 4.3Å; G117-V122 VanDerWaalsContact CA-O 3.29Å; G117-V122 WeakPolarHBondContact CA-O 3.46Å; G117-V122 PolarHBondContact O-N 2.99Å; G117-V122 VanDerWaalsContact O-N 3.11Å; L120-V122 HydrophobicContact CB-CG1 4.14Å; L120-V122 HydrophobicContact CB-CG2 3.94Å; V122-I124 HydrophobicContact CG2-CD1 3.77Å; V122-V283 HydrophobicContact CG1-CG1 3.83Å; V122-V283 HydrophobicContact CG1-CG2 4.16Å
123	N	98.2	Very high	96.4	Very high	15 Å²	15	18.8 Å²	18.8	8%	0.08	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	150.1	172.7	-54.7	-45.8	0	0	0	109.7	Y85 M86 P87 I88 S92 L94 T95 F96	Y85-N123 HydrophobicContact CE2-CB 4.26Å; M86-N123 WeakPolarHBondContact O-CA 3.49Å; P87-N123 VanDerWaalsContact CA-OD1 3.28Å; P87-N123 WeakPolarHBondContact CA-OD1 3.24Å; I88-N123 PolarHBondContact N-OD1 3.25Å; S92-N123 WeakPolarHBondContact CB-OD1 3.48Å; S92-N123 PolarHBondContact O-ND2 3.45Å; L94-N123 PolarHBondContact O-N 3.03Å; T95-N123 CarbonylContact C-O 3.52Å; T95-N123 VanDerWaalsContact CA-O 3.28Å; T95-N123 WeakPolarHBondContact CA-O 3.33Å; T95-N123 HydrophobicContact CG2-CB 3.99Å; F96-N123 PolarHBondContact N-O 2.65Å
124	I	98.4	Very high	96.6	Very high	0 Å²	0	20 Å²	20	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	127.4	-179.7	-51.7	-65.5	0	0	0	109.9	M86 F96 L98 M113 L116 V122	M86-I124 HydrophobicContact CB-CB 4.48Å; M86-I124 PolarHBondContact N-O 3.06Å; M86-I124 PolarHBondContact O-N 3.49Å; F96-I124 HydrophobicContact CB-CD1 3.79Å; F96-I124 HydrophobicContact CG-CD1 4.23Å; L98-I124 HydrophobicContact CD1-CG2 3.48Å; L98-I124 VanDerWaalsContact CD1-CG2 3.48Å; L98-I124 HydrophobicContact CG-CG2 3.76Å; M113-I124 HydrophobicContact CB-CG2 3.96Å; M113-I124 HydrophobicContact CE-CB 4.47Å; M113-I124 HydrophobicContact CE-CG2 3.82Å; M113-I124 HydrophobicContact CG-CG2 3.9Å; L116-I124 HydrophobicContact CD2-CD1 4.43Å; V122-I124 HydrophobicContact CG2-CD1 3.77Å
125	M	98.8	Very high	96.9	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	132	159.2	-175.1	173.1	-75.5	0	0	109.3	I83 L84 Y85 F96 L97 L98 A151 V154 L155 Y159	I83-M125 HydrophobicContact CG2-CE 3.97Å; I83-M125 HydrophobicContact CG2-CG 3.64Å; I83-M125 HydrophobicContact CG2-SD 3.63Å; L84-M125 VanDerWaalsContact O-CA 3.31Å; L84-M125 WeakPolarHBondContact O-CA 3.49Å; Y85-M125 HydrophobicContact CD2-CB 4.1Å; Y85-M125 HydrophobicContact CD2-CE 3.91Å; Y85-M125 HydrophobicContact CG-CE 4.25Å; F96-M125 PolarHBondContact O-N 3.27Å; L97-M125 CarbonylContact C-O 3.48Å; L97-M125 WeakPolarHBondContact CA-O 3.49Å; L97-M125 HydrophobicContact CD1-CB 4Å; L97-M125 HydrophobicContact CD1-CG 3.9Å; L97-M125 HydrophobicContact CD1-SD 4.04Å; L98-M125 PolarHBondContact N-O 3.48Å; M125-A151 HydrophobicContact SD-CB 4.34Å; M125-V154 HydrophobicContact CE-CB 4.41Å; M125-V154 HydrophobicContact CE-CG1 3.83Å; M125-L155 HydrophobicContact CB-CD1 4.25Å; M125-L155 HydrophobicContact CB-CD2 4.03Å; M125-L155 HydrophobicContact CB-CG 4.28Å; M125-L155 HydrophobicContact CE-CD2 3.41Å; M125-L155 VanDerWaalsContact CE-CD2 3.41Å; M125-L155 HydrophobicContact CE-CG 3.6Å; M125-L155 HydrophobicContact SD-CD1 4.2Å; M125-L155 HydrophobicContact SD-CD2 3.97Å; M125-L155 HydrophobicContact SD-CG 3.57Å; M125-L155 VanDerWaalsContact SD-CG 3.57Å; M125-Y159 HydrophobicContact CE-CD2 3.8Å; M125-Y159 HydrophobicContact CE-CE2 3.66Å
126	C	98.8	Very high	97.2	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	152.4	168.5	-165.6	0	0	0	0	108.4	L84 L98 L106 M113	L84-C126 PolarHBondContact N-O 2.91Å; L84-C126 PolarHBondContact O-N 2.96Å; L84-C126 VanDerWaalsContact O-O 3.13Å; L98-C126 HydrophobicContact CB-CB 4.14Å; L106-C126 HydrophobicContact CD2-CB 3.64Å; M113-C126 HydrophobicContact CE-CB 3.46Å; M113-C126 VanDerWaalsContact CE-CB 3.46Å; M113-C126 HydrophobicContact CG-CB 4.2Å; M113-C126 HydrophobicContact SD-CB 3.37Å; M113-C126 WeakPolarHBondContact SD-CB 3.35Å
127	Y	98.9	Very high	97.3	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	147.3	-179.1	62.8	-77.9	0	0	0	109.9	I81 A82 L97 L98 S99 H100 Y129 D147 A148 A151	I81-Y127 HydrophobicContact CD1-CD2 4.26Å; A82-Y127 WeakPolarHBondContact O-CA 3.41Å; L97-Y127 HydrophobicContact CD1-CD1 3.78Å; L97-Y127 HydrophobicContact CD1-CE1 3.87Å; L97-Y127 HydrophobicContact CG-CE1 4.25Å; L98-Y127 WeakPolarHBondContact O-CD1 3.42Å; L98-Y127 VanDerWaalsContact O-CE1 3.3Å; L98-Y127 WeakPolarHBondContact O-CE1 3.33Å; S99-Y127 WeakPolarHBondContact CB-OH 3.3Å; S99-Y127 PolarHBondContact OG-OH 2.81Å; H100-Y127 PolarHBondContact CD2-O 3.38Å; H100-Y127 PolarHBondContact NE2-O 3.47Å; Y127-Y129 HydrophobicContact CD2-CD1 4.43Å; Y127-Y129 AromaticContact CE2-CD1 3.91Å; Y127-Y129 HydrophobicContact CE2-CD1 3.91Å; Y127-Y129 AromaticContact CE2-CE1 3.83Å; Y127-Y129 HydrophobicContact CE2-CE1 3.83Å; Y127-D147 HydrophobicContact CD2-CB 4.26Å; Y127-D147 HydrophobicContact CE2-CB 4.05Å; Y127-A148 HydrophobicContact CE2-CB 4.18Å; Y127-A148 WeakPolarHBondContact OH-CB 3.32Å; Y127-A151 HydrophobicContact CD1-CB 3.51Å; Y127-A151 HydrophobicContact CD2-CB 4.16Å; Y127-A151 HydrophobicContact CE1-CB 4.04Å; Y127-A151 HydrophobicContact CG-CB 3.6Å
128	D	98.7	Very high	97.2	Very high	0 Å²	0	25 Å²	25	0%	0	16%	0.157	C	C	.	.	P	Polyproline II helix	trans	-87.1	139.8	172.7	-94.1	-13.6	0	0	0	110.5	Y35 A82 H100 D105 L106 G133 S135	Y35-D128 WeakPolarHBondContact CE1-OD2 3.31Å; Y35-D128 PolarHBondContact OH-OD2 2.95Å; A82-D128 PolarHBondContact O-N 3.22Å; H100-D128 IonicContact CD2-OD1 3.28Å; H100-D128 IonicContact CE1-OD1 3.47Å; H100-D128 IonicContact NE2-OD1 2.75Å; H100-D128 PolarHBondContact NE2-OD1 3.05Å; D105-D128 VanDerWaalsContact CA-OD1 3.24Å; D105-D128 WeakPolarHBondContact CA-OD1 3.14Å; L106-D128 HydrophobicContact CD1-CB 4.01Å; L106-D128 HydrophobicContact CG-CB 4.17Å; L106-D128 PolarHBondContact N-OD1 3.48Å; L106-D128 PolarHBondContact N-OD2 3.02Å; D128-G133 WeakPolarHBondContact OD2-CA 3.45Å; D128-S135 WeakPolarHBondContact CB-OG 3.41Å; D128-S135 PolarHBondContact O-OG 3.02Å; D128-S135 VanDerWaalsContact O-OG 3.13Å
129	Y	98.3	Very high	97.1	Very high	1 Å²	1	23.9 Å²	23.9	0%	0.004	15%	0.148	C	C	.	.	P	Polyproline II helix	trans	-63.5	156.6	172.7	-50.9	-43.7	0	0	0	112.1	S99 H100 Y127 G131 Y132 S135 L144 G174 P177	S99-Y129 WeakPolarHBondContact CB-OH 3.26Å; H100-Y129 AromaticContact CE1-CD2 3.5Å; H100-Y129 VanDerWaalsContact CE1-CD2 3.5Å; H100-Y129 WeakPolarHBondContact CE1-CD2 3.45Å; H100-Y129 AromaticContact CE1-CE2 3.36Å; H100-Y129 WeakPolarHBondContact CE1-CE2 3.4Å; H100-Y129 PolarHBondContact N-OH 2.77Å; H100-Y129 VanDerWaalsContact N-OH 3.12Å; H100-Y129 AromaticContact ND1-CE2 3.67Å; H100-Y129 AromaticContact NE2-CD2 3.8Å; H100-Y129 AromaticContact NE2-CE2 3.74Å; H100-Y129 PolarHBondContact O-OH 3.03Å; Y127-Y129 HydrophobicContact CD2-CD1 4.43Å; Y127-Y129 AromaticContact CE2-CD1 3.91Å; Y127-Y129 HydrophobicContact CE2-CD1 3.91Å; Y127-Y129 AromaticContact CE2-CE1 3.83Å; Y127-Y129 HydrophobicContact CE2-CE1 3.83Å; Y129-G131 PolarHBondContact O-N 3.07Å; Y129-G131 VanDerWaalsContact O-N 3.14Å; Y129-Y132 HydrophobicContact CD2-CD2 4.31Å; Y129-Y132 HydrophobicContact CD2-CE1 4.41Å; Y129-Y132 HydrophobicContact CD2-CE2 4.22Å; Y129-Y132 HydrophobicContact CD2-CG 4.47Å; Y129-Y132 WeakPolarHBondContact O-CB 3.43Å; Y129-Y132 PolarHBondContact O-N 3.45Å; Y129-S135 WeakPolarHBondContact O-CB 3.38Å; Y129-L144 HydrophobicContact CD1-CD2 3.35Å; Y129-L144 HydrophobicContact CD2-CD2 3.72Å; Y129-L144 HydrophobicContact CE1-CD2 3.78Å; Y129-L144 HydrophobicContact CE2-CD2 4.11Å; Y129-L144 HydrophobicContact CG-CD2 3.32Å; Y129-G174 WeakPolarHBondContact OH-CA 3.27Å; Y129-P177 HydrophobicContact CE1-CG 4.23Å
130	S	98.2	Very high	97	Very high	0 Å²	0	23 Å²	23	0%	0	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51	121.6	171.5	-74.4	0	0	0	0	110.8	N79 S136 K138 P139 D147	N79-S130 WeakPolarHBondContact CB-OG 3.41Å; N79-S130 PolarHBondContact ND2-OG 2.79Å; S130-S136 CarbonylContact C-O 3.51Å; S130-S136 VanDerWaalsContact CA-O 3.26Å; S130-S136 WeakPolarHBondContact CA-O 3.43Å; S130-S136 WeakPolarHBondContact CB-O 3.49Å; S130-K138 CarbonylContact O-C 3.37Å; S130-P139 WeakPolarHBondContact O-CA 3.45Å; S130-P139 WeakPolarHBondContact O-CB 3.41Å; S130-D147 WeakPolarHBondContact CB-OD2 3.43Å; S130-D147 PolarHBondContact N-OD2 3.28Å; S130-D147 PolarHBondContact OG-OD1 2.91Å; S130-D147 PolarHBondContact OG-OD2 2.85Å
131	G	96.6	Very high	96.9	Very high	25 Å²	25	25.2 Å²	25.2	26%	0.258	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.6	6.3	-176.5	0	0	0	0	0	116.1	Y129 S136	Y129-G131 PolarHBondContact O-N 3.07Å; Y129-G131 VanDerWaalsContact O-N 3.14Å; G131-S136 PolarHBondContact N-O 3.13Å
132	Y	97.8	Very high	96.8	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.173	C	C	.	.	S	Bend	trans	-101.6	148.2	169.4	-77.6	-118.8	0	0	0	110.4	F28 M29 P30 H100 N102 V104 Y129 A134 S135 P139	F28-Y132 WeakPolarHBondContact CA-OH 3.38Å; F28-Y132 HydrophobicContact CB-CE2 4.26Å; F28-Y132 HydrophobicContact CD1-CE2 4.21Å; M29-Y132 PolarHBondContact N-OH 2.89Å; P30-Y132 HydrophobicContact CB-CD1 3.9Å; P30-Y132 HydrophobicContact CB-CD2 3.86Å; P30-Y132 HydrophobicContact CB-CE1 3.95Å; P30-Y132 HydrophobicContact CB-CE2 3.9Å; P30-Y132 HydrophobicContact CB-CG 3.85Å; P30-Y132 HydrophobicContact CG-CE2 4.29Å; H100-Y132 AromaticContact CE1-CD1 3.77Å; N102-Y132 PolarHBondContact OD1-OH 3.21Å; V104-Y132 VanDerWaalsContact O-CD1 3.27Å; V104-Y132 WeakPolarHBondContact O-CD1 3.39Å; Y129-Y132 HydrophobicContact CD2-CD2 4.31Å; Y129-Y132 HydrophobicContact CD2-CE1 4.41Å; Y129-Y132 HydrophobicContact CD2-CE2 4.22Å; Y129-Y132 HydrophobicContact CD2-CG 4.47Å; Y129-Y132 WeakPolarHBondContact O-CB 3.43Å; Y129-Y132 PolarHBondContact O-N 3.45Å; Y132-A134 PolarHBondContact O-N 3.36Å; Y132-S135 WeakPolarHBondContact O-CA 3.4Å; Y132-S135 WeakPolarHBondContact O-CB 3.31Å; Y132-S135 PolarHBondContact O-N 3.5Å; Y132-P139 HydrophobicContact CD2-CB 4.24Å; Y132-P139 HydrophobicContact CE2-CB 3.75Å; Y132-P139 HydrophobicContact CE2-CG 4.49Å
133	G	97.1	Very high	96.8	Very high	25 Å²	25	29.7 Å²	29.7	26%	0.258	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.5	-120.8	174.8	0	0	0	0	0	113.7	S33 D128	S33-G133 WeakPolarHBondContact OG-CA 3.48Å; D128-G133 WeakPolarHBondContact OD2-CA 3.45Å
134	A	97.7	Very high	96.7	Very high	25 Å²	25	29.1 Å²	29.1	21%	0.207	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	5.3	177.8	0	0	0	0	0	114.3	Y35 L37 A82 Y132	Y35-A134 HydrophobicContact CE2-CB 3.86Å; Y35-A134 PolarHBondContact OH-N 2.97Å; L37-A134 HydrophobicContact CB-CB 4.35Å; L37-A134 HydrophobicContact CD1-CB 4.26Å; L37-A134 HydrophobicContact CG-CB 4.06Å; A82-A134 HydrophobicContact CB-CB 4.26Å; Y132-A134 PolarHBondContact O-N 3.36Å
135	S	98.6	Very high	96.7	Very high	11 Å²	11	30 Å²	30	8%	0.077	18%	0.175	C	C	.	.			trans	-79.4	140.1	178.1	-61.5	0	0	0	0	111.8	N80 I81 A82 D128 Y129 Y132	N80-S135 CarbonylContact O-C 3.42Å; N80-S135 VanDerWaalsContact O-CA 3.27Å; N80-S135 WeakPolarHBondContact O-CA 3.39Å; I81-S135 WeakPolarHBondContact CA-OG 3.24Å; A82-S135 PolarHBondContact N-OG 2.69Å; D128-S135 WeakPolarHBondContact CB-OG 3.41Å; D128-S135 PolarHBondContact O-OG 3.02Å; D128-S135 VanDerWaalsContact O-OG 3.13Å; Y129-S135 WeakPolarHBondContact O-CB 3.38Å; Y132-S135 WeakPolarHBondContact O-CA 3.4Å; Y132-S135 WeakPolarHBondContact O-CB 3.31Å; Y132-S135 PolarHBondContact O-N 3.5Å
136	S	98.2	Very high	96.7	Very high	50 Å²	50	30 Å²	30	35%	0.35	18%	0.175	S	C	.	.			trans	-83.8	176.5	176.4	76.5	0	0	0	0	112.6	N80 S130 G131	N80-S136 PolarHBondContact N-OG 3.31Å; N80-S136 PolarHBondContact O-N 3.45Å; S130-S136 CarbonylContact C-O 3.51Å; S130-S136 VanDerWaalsContact CA-O 3.26Å; S130-S136 WeakPolarHBondContact CA-O 3.43Å; S130-S136 WeakPolarHBondContact CB-O 3.49Å; G131-S136 PolarHBondContact N-O 3.13Å
137	G	96.8	Very high	96.7	Very high	41 Å²	41	30.1 Å²	30.1	42%	0.423	18%	0.175	S	C	.	.	S	Bend	trans	87.7	-153.7	176.3	0	0	0	0	0	113.4	N79	N79-G137 WeakPolarHBondContact OD1-CA 3.44Å
138	K	95	Very high	96.7	Very high	149 Å²	149	30.1 Å²	30.1	65%	0.648	18%	0.175	S	C	*	.			trans	-132.5	146.3	-177.6	-66.3	-177.9	-179	178	0	110.1	S130 L140 N143	S130-K138 CarbonylContact O-C 3.37Å; K138-L140 HydrophobicContact CB-CD1 4.44Å; K138-L140 HydrophobicContact CB-CG 4.21Å; K138-L140 PolarHBondContact O-N 3.49Å; K138-N143 PolarHBondContact O-ND2 3.44Å
139	P	91.8	Very high	96.7	Very high	29 Å²	29	32.4 Å²	32.4	19%	0.188	19%	0.186	C	C	.	.			trans	-77.2	100.5	179.6	33.2	-36.3	0	0	0	109.2	A24 F28 S130 Y132	A24-P139 WeakPolarHBondContact CB-O 3.25Å; F28-P139 HydrophobicContact CB-CB 3.6Å; F28-P139 HydrophobicContact CB-CG 3.78Å; F28-P139 HydrophobicContact CD1-CB 4.09Å; F28-P139 HydrophobicContact CD2-CB 3.79Å; F28-P139 HydrophobicContact CD2-CG 4.37Å; F28-P139 WeakPolarHBondContact CD2-O 3.3Å; F28-P139 HydrophobicContact CE2-CB 4.49Å; F28-P139 WeakPolarHBondContact CE2-O 3.26Å; F28-P139 HydrophobicContact CG-CB 3.58Å; F28-P139 HydrophobicContact CG-CG 4.23Å; S130-P139 WeakPolarHBondContact O-CA 3.45Å; S130-P139 WeakPolarHBondContact O-CB 3.41Å; Y132-P139 HydrophobicContact CD2-CB 4.24Å; Y132-P139 HydrophobicContact CE2-CB 3.75Å; Y132-P139 HydrophobicContact CE2-CG 4.49Å
140	L	92	Very high	96.7	Very high	56 Å²	56	33 Å²	33	29%	0.293	19%	0.191	S	C	.	.			trans	-130.6	147	-178.7	-61.6	175.7	0	0	0	108.2	A24 K138 K142 N143 L144	A24-L140 HydrophobicContact CB-CD2 4.11Å; K138-L140 HydrophobicContact CB-CD1 4.44Å; K138-L140 HydrophobicContact CB-CG 4.21Å; K138-L140 PolarHBondContact O-N 3.49Å; L140-K142 VanDerWaalsContact C-N 3.26Å; L140-K142 PolarHBondContact O-N 3.49Å; L140-N143 HydrophobicContact CB-CB 4.3Å; L140-N143 WeakPolarHBondContact O-CA 3.4Å; L140-N143 WeakPolarHBondContact O-CB 3.4Å; L140-N143 PolarHBondContact O-N 3.38Å; L140-L144 PolarHBondContact O-N 3.25Å
141	E	92	Very high	96.8	Very high	47 Å²	47	33 Å²	33	22%	0.22	19%	0.191	C	C	.	.	H	α-helix	trans	-51.9	-43.4	178	179.7	175.1	-164.2	0	0	113	N143 L144 Y145 F216	E141-N143 VanDerWaalsContact C-N 3.26Å; E141-N143 PolarHBondContact O-N 2.94Å; E141-L144 WeakPolarHBondContact O-CB 3.25Å; E141-L144 PolarHBondContact O-N 3.16Å; E141-Y145 HydrophobicContact CG-CE2 3.65Å; E141-Y145 VanDerWaalsContact CG-OH 3.28Å; E141-Y145 WeakPolarHBondContact CG-OH 3.28Å; E141-Y145 WeakPolarHBondContact O-CD2 3.34Å; E141-Y145 WeakPolarHBondContact O-CE2 3.39Å; E141-Y145 PolarHBondContact O-N 2.56Å; E141-Y145 PolarHBondContact OE1-OH 3.3Å; E141-F216 HydrophobicContact CB-CD1 4.12Å; E141-F216 HydrophobicContact CB-CE1 3.68Å; E141-F216 HydrophobicContact CG-CD1 3.74Å; E141-F216 HydrophobicContact CG-CE1 3.83Å; E141-F216 WeakPolarHBondContact OE1-CA 3.42Å; E141-F216 PolarHBondContact OE1-N 2.86Å
142	K	94.5	Very high	96.9	Very high	143 Å²	143	32 Å²	32	62%	0.622	18%	0.179	S	C	*	.	H	α-helix	trans	-65.2	-29.3	176.5	-65.9	-175.5	179.8	-178.1	0	113.2	R77 L140 A146	R77-K142 WeakPolarHBondContact CD-O 3.47Å; L140-K142 VanDerWaalsContact C-N 3.26Å; L140-K142 PolarHBondContact O-N 3.49Å; K142-A146 PolarHBondContact O-N 2.81Å
143	N	96.7	Very high	96.9	Very high	7 Å²	7	36.1 Å²	36.1	4%	0.037	20%	0.201	C	C	.	.	H	α-helix	trans	-75.5	-42.1	176	-70.3	-13.3	0	0	0	110.2	R77 N79 K138 L140 E141 Y145 A146 D147	R77-N143 WeakPolarHBondContact CD-OD1 3.22Å; R77-N143 PolarHBondContact NE-OD1 3.11Å; N79-N143 PolarHBondContact ND2-ND2 3.03Å; K138-N143 PolarHBondContact O-ND2 3.44Å; L140-N143 HydrophobicContact CB-CB 4.3Å; L140-N143 WeakPolarHBondContact O-CA 3.4Å; L140-N143 WeakPolarHBondContact O-CB 3.4Å; L140-N143 PolarHBondContact O-N 3.38Å; E141-N143 VanDerWaalsContact C-N 3.26Å; E141-N143 PolarHBondContact O-N 2.94Å; N143-Y145 PolarHBondContact O-N 3.18Å; N143-Y145 VanDerWaalsContact O-N 3.11Å; N143-A146 CarbonylContact O-C 3.51Å; N143-A146 WeakPolarHBondContact O-CA 3.24Å; N143-A146 WeakPolarHBondContact O-CB 3.32Å; N143-A146 PolarHBondContact O-N 3.43Å; N143-D147 VanDerWaalsContact C-OD2 3.29Å; N143-D147 WeakPolarHBondContact O-CB 3.36Å; N143-D147 PolarHBondContact O-N 3.07Å; N143-D147 VanDerWaalsContact O-OD2 3.08Å
144	L	96.3	Very high	97	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.01	19%	0.193	C	C	.	.	H	α-helix	trans	-48.2	-45.4	174.3	-73.7	-178.5	0	0	0	112.7	F28 Y129 L140 E141 D147 A148 F216	F28-L144 HydrophobicContact CE1-CD1 3.63Å; F28-L144 HydrophobicContact CE1-CD2 3.86Å; F28-L144 HydrophobicContact CE1-CG 3.87Å; F28-L144 HydrophobicContact CZ-CD1 3.45Å; F28-L144 VanDerWaalsContact CZ-CD1 3.45Å; F28-L144 HydrophobicContact CZ-CD2 4.24Å; F28-L144 HydrophobicContact CZ-CG 3.73Å; Y129-L144 HydrophobicContact CD1-CD2 3.35Å; Y129-L144 HydrophobicContact CD2-CD2 3.72Å; Y129-L144 HydrophobicContact CE1-CD2 3.78Å; Y129-L144 HydrophobicContact CE2-CD2 4.11Å; Y129-L144 HydrophobicContact CG-CD2 3.32Å; L140-L144 PolarHBondContact O-N 3.25Å; E141-L144 WeakPolarHBondContact O-CB 3.25Å; E141-L144 PolarHBondContact O-N 3.16Å; L144-D147 PolarHBondContact O-N 3.38Å; L144-A148 WeakPolarHBondContact O-CB 3.26Å; L144-A148 PolarHBondContact O-N 3.33Å; L144-F216 HydrophobicContact CD1-CE1 4.01Å
145	Y	98	Very high	97	Very high	19 Å²	19	34.3 Å²	34.3	8%	0.075	18%	0.183	C	C	.	.	H	α-helix	trans	-66.1	-42.6	178.1	-53.8	-36.6	0	0	0	112.7	E141 N143 D147 E149 V176 H180 R221	E141-Y145 HydrophobicContact CG-CE2 3.65Å; E141-Y145 VanDerWaalsContact CG-OH 3.28Å; E141-Y145 WeakPolarHBondContact CG-OH 3.28Å; E141-Y145 WeakPolarHBondContact O-CD2 3.34Å; E141-Y145 WeakPolarHBondContact O-CE2 3.39Å; E141-Y145 PolarHBondContact O-N 2.56Å; E141-Y145 PolarHBondContact OE1-OH 3.3Å; N143-Y145 PolarHBondContact O-N 3.18Å; N143-Y145 VanDerWaalsContact O-N 3.11Å; Y145-D147 VanDerWaalsContact C-N 3.33Å; Y145-E149 WeakPolarHBondContact O-CB 2.96Å; Y145-E149 VanDerWaalsContact O-CG 3.25Å; Y145-E149 WeakPolarHBondContact O-CG 3.14Å; Y145-E149 PolarHBondContact O-N 2.88Å; Y145-V176 HydrophobicContact CE1-CG1 3.8Å; Y145-H180 HydrophobicContact CD1-CB 3.64Å; Y145-H180 AromaticContact CD1-CD2 3.89Å; Y145-H180 AromaticContact CD1-CG 3.54Å; Y145-H180 HydrophobicContact CE1-CB 3.91Å; Y145-H180 AromaticContact CG-CG 3.96Å; Y145-R221 VanDerWaalsContact OH-CZ 3.26Å; Y145-R221 PolarHBondContact OH-NH1 3.33Å; Y145-R221 PolarHBondContact OH-NH2 3.06Å
146	A	98.6	Very high	97	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.008	20%	0.199	C	C	.	.	H	α-helix	trans	-67.7	-34.6	177.8	0	0	0	0	0	112.4	R76 R77 K142 N143 C150	R76-A146 HydrophobicContact CG-CB 3.95Å; R77-A146 HydrophobicContact CB-CB 4.35Å; R77-A146 HydrophobicContact CG-CB 3.76Å; K142-A146 PolarHBondContact O-N 2.81Å; N143-A146 CarbonylContact O-C 3.51Å; N143-A146 WeakPolarHBondContact O-CA 3.24Å; N143-A146 WeakPolarHBondContact O-CB 3.32Å; N143-A146 PolarHBondContact O-N 3.43Å; A146-C150 VanDerWaalsContact O-CB 3.26Å; A146-C150 WeakPolarHBondContact O-CB 3.37Å; A146-C150 PolarHBondContact O-N 3Å
147	D	98.8	Very high	97	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.005	21%	0.208	C	C	.	.	H	α-helix	trans	-66.4	-50.4	177.4	-56.6	-27	0	0	0	109.9	T75 I81 Y127 S130 N143 L144 Y145 E149 C150 A151	T75-D147 WeakPolarHBondContact CG2-OD1 3.34Å; I81-D147 HydrophobicContact CD1-CB 4.29Å; I81-D147 WeakPolarHBondContact CD1-O 3.05Å; I81-D147 HydrophobicContact CG2-CB 4.07Å; I81-D147 WeakPolarHBondContact CG2-OD1 3.39Å; Y127-D147 HydrophobicContact CD2-CB 4.26Å; Y127-D147 HydrophobicContact CE2-CB 4.05Å; S130-D147 WeakPolarHBondContact CB-OD2 3.43Å; S130-D147 PolarHBondContact N-OD2 3.28Å; S130-D147 PolarHBondContact OG-OD1 2.91Å; S130-D147 PolarHBondContact OG-OD2 2.85Å; N143-D147 VanDerWaalsContact C-OD2 3.29Å; N143-D147 WeakPolarHBondContact O-CB 3.36Å; N143-D147 PolarHBondContact O-N 3.07Å; N143-D147 VanDerWaalsContact O-OD2 3.08Å; L144-D147 PolarHBondContact O-N 3.38Å; Y145-D147 VanDerWaalsContact C-N 3.33Å; D147-E149 PolarHBondContact O-N 3.39Å; D147-C150 WeakPolarHBondContact O-CB 3.38Å; D147-C150 PolarHBondContact O-N 3.35Å; D147-C150 VanDerWaalsContact O-N 3.16Å; D147-A151 PolarHBondContact O-N 2.82Å
148	A	98.9	Very high	97.1	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-63.6	-42.6	179.8	0	0	0	0	0	113.1	Y127 L144 C150 A151 L152 P177 L181	Y127-A148 HydrophobicContact CE2-CB 4.18Å; Y127-A148 WeakPolarHBondContact OH-CB 3.32Å; L144-A148 WeakPolarHBondContact O-CB 3.26Å; L144-A148 PolarHBondContact O-N 3.33Å; A148-C150 VanDerWaalsContact C-N 3.3Å; A148-C150 PolarHBondContact O-N 2.86Å; A148-A151 PolarHBondContact O-N 3.39Å; A148-L152 WeakPolarHBondContact O-CB 3.43Å; A148-L152 PolarHBondContact O-N 2.59Å; A148-P177 HydrophobicContact CB-CB 3.5Å; A148-P177 VanDerWaalsContact CB-CB 3.5Å; A148-L181 HydrophobicContact CB-CD1 3.86Å; A148-L181 HydrophobicContact CB-CD2 4.32Å; A148-L181 HydrophobicContact CB-CG 4.04Å
149	E	98.9	Very high	97.1	Very high	48 Å²	48	39 Å²	39	22%	0.224	19%	0.187	C	C	.	.	H	α-helix	trans	-64.4	-36.1	174.7	-74	178.1	-129.5	0	0	111.8	R76 Y145 D147 N153 H180 L181 L184	R76-E149 IonicContact CZ-OE1 3.62Å; R76-E149 IonicContact CZ-OE2 3.85Å; R76-E149 IonicContact NH1-OE1 2.61Å; R76-E149 PolarHBondContact NH1-OE1 2.9Å; R76-E149 IonicContact NH1-OE2 3.27Å; R76-E149 PolarHBondContact NH1-OE2 3.39Å; R76-E149 IonicContact NH2-OE1 3.99Å; R76-E149 PolarHBondContact NH2-OE1 3.32Å; R76-E149 IonicContact NH2-OE2 2.81Å; Y145-E149 WeakPolarHBondContact O-CB 2.96Å; Y145-E149 VanDerWaalsContact O-CG 3.25Å; Y145-E149 WeakPolarHBondContact O-CG 3.14Å; Y145-E149 PolarHBondContact O-N 2.88Å; D147-E149 PolarHBondContact O-N 3.39Å; E149-N153 VanDerWaalsContact O-CB 3.29Å; E149-N153 WeakPolarHBondContact O-CB 3.37Å; E149-N153 PolarHBondContact O-N 2.87Å; E149-H180 IonicContact OE1-CD2 2.99Å; E149-H180 IonicContact OE1-CE1 2.9Å; E149-H180 IonicContact OE1-NE2 3.78Å; E149-H180 PolarHBondContact OE1-NE2 3.44Å; E149-L181 HydrophobicContact CB-CD2 4.34Å; E149-L181 HydrophobicContact CG-CD2 3.61Å; E149-L184 HydrophobicContact CG-CD1 4.48Å
150	C	98.9	Very high	97.4	Very high	15 Å²	15	42.2 Å²	42.2	10%	0.101	21%	0.21	C	C	.	.	H	α-helix	trans	-63.9	-48.6	174.2	-175.6	0	0	0	0	111.1	A73 T74 T75 I81 A146 D147 A148 L152 N153 V154	A73-C150 VanDerWaalsContact CB-SG 3.54Å; T74-C150 PolarHBondContact O-SG 2.75Å; T75-C150 HydrophobicContact CG2-CB 3.86Å; I81-C150 HydrophobicContact CD1-CB 3.94Å; A146-C150 VanDerWaalsContact O-CB 3.26Å; A146-C150 WeakPolarHBondContact O-CB 3.37Å; A146-C150 PolarHBondContact O-N 3Å; D147-C150 WeakPolarHBondContact O-CB 3.38Å; D147-C150 PolarHBondContact O-N 3.35Å; D147-C150 VanDerWaalsContact O-N 3.16Å; A148-C150 VanDerWaalsContact C-N 3.3Å; A148-C150 PolarHBondContact O-N 2.86Å; C150-L152 PolarHBondContact O-N 2.8Å; C150-N153 WeakPolarHBondContact O-CB 3.42Å; C150-N153 PolarHBondContact O-N 2.84Å; C150-N153 VanDerWaalsContact O-N 3.15Å; C150-V154 WeakPolarHBondContact O-CG2 3.4Å; C150-V154 PolarHBondContact O-N 2.79Å
151	A	98.9	Very high	97.7	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-61.8	-43.7	177.8	0	0	0	0	0	112.4	I83 L97 M125 Y127 D147 A148 N153 V154 L155	I83-A151 HydrophobicContact CD1-CB 4.29Å; L97-A151 HydrophobicContact CD1-CB 3.92Å; M125-A151 HydrophobicContact SD-CB 4.34Å; Y127-A151 HydrophobicContact CD1-CB 3.51Å; Y127-A151 HydrophobicContact CD2-CB 4.16Å; Y127-A151 HydrophobicContact CE1-CB 4.04Å; Y127-A151 HydrophobicContact CG-CB 3.6Å; D147-A151 PolarHBondContact O-N 2.82Å; A148-A151 PolarHBondContact O-N 3.39Å; A151-N153 VanDerWaalsContact C-N 3.31Å; A151-N153 PolarHBondContact O-N 3.24Å; A151-V154 PolarHBondContact O-N 3.48Å; A151-L155 PolarHBondContact O-N 3.44Å; A151-L155 VanDerWaalsContact O-N 3.11Å
152	L	98.9	Very high	98	Very high	3 Å²	3	40.3 Å²	40.3	2%	0.016	21%	0.205	C	C	.	.	H	α-helix	trans	-60.7	-41	173.5	-179.6	61.5	0	0	0	111.7	L97 A148 C150 V154 L155 R156 L163 I166 L181 H185	L97-L152 HydrophobicContact CD2-CB 3.88Å; L97-L152 HydrophobicContact CD2-CD1 4.21Å; A148-L152 WeakPolarHBondContact O-CB 3.43Å; A148-L152 PolarHBondContact O-N 2.59Å; C150-L152 PolarHBondContact O-N 2.8Å; L152-V154 VanDerWaalsContact C-N 3.35Å; L152-L155 PolarHBondContact O-N 2.93Å; L152-R156 HydrophobicContact CD1-CG 4.46Å; L152-R156 WeakPolarHBondContact O-CG 3.5Å; L152-R156 PolarHBondContact O-N 3.36Å; L152-R156 VanDerWaalsContact O-N 3.12Å; L152-L163 HydrophobicContact CD1-CD2 4.33Å; L152-L163 HydrophobicContact CD2-CD2 4.5Å; L152-I166 HydrophobicContact CD1-CD1 3.62Å; L152-I166 HydrophobicContact CD1-CG2 4.28Å; L152-L181 HydrophobicContact CB-CD1 4.24Å; L152-L181 HydrophobicContact CB-CD2 4.46Å; L152-L181 HydrophobicContact CD2-CD1 4.36Å; L152-L181 HydrophobicContact CD2-CD2 3.97Å; L152-H185 WeakPolarHBondContact CD2-CD2 3.32Å
153	N	98.8	Very high	98.1	Very high	86 Å²	86	35.3 Å²	35.3	46%	0.46	19%	0.185	S	C	.	.	H	α-helix	trans	-63.7	-39.8	176.6	-173.8	68	0	0	0	111.9	E149 C150 A151 R156 T157	E149-N153 VanDerWaalsContact O-CB 3.29Å; E149-N153 WeakPolarHBondContact O-CB 3.37Å; E149-N153 PolarHBondContact O-N 2.87Å; C150-N153 WeakPolarHBondContact O-CB 3.42Å; C150-N153 PolarHBondContact O-N 2.84Å; C150-N153 VanDerWaalsContact O-N 3.15Å; A151-N153 VanDerWaalsContact C-N 3.31Å; A151-N153 PolarHBondContact O-N 3.24Å; N153-R156 PolarHBondContact O-N 3Å; N153-T157 WeakPolarHBondContact O-CB 3.43Å; N153-T157 WeakPolarHBondContact O-CG2 3.5Å; N153-T157 PolarHBondContact O-N 3.5Å; N153-T157 PolarHBondContact O-OG1 2.99Å; N153-T157 WeakPolarHBondContact OD1-CG2 3.21Å
154	V	98.7	Very high	98.2	Very high	13 Å²	13	40.5 Å²	40.5	8%	0.079	21%	0.212	C	C	.	.	H	α-helix	trans	-58.9	-46.9	174.2	173	0	0	0	0	111.1	M71 A73 I83 M125 C150 A151 L152 R156 T157 K158 Y159	M71-V154 HydrophobicContact CE-CG1 4.43Å; M71-V154 HydrophobicContact SD-CG1 3.72Å; A73-V154 HydrophobicContact CB-CG2 3.78Å; I83-V154 HydrophobicContact CD1-CB 4.27Å; I83-V154 HydrophobicContact CD1-CG2 3.83Å; M125-V154 HydrophobicContact CE-CB 4.41Å; M125-V154 HydrophobicContact CE-CG1 3.83Å; C150-V154 WeakPolarHBondContact O-CG2 3.4Å; C150-V154 PolarHBondContact O-N 2.79Å; A151-V154 PolarHBondContact O-N 3.48Å; L152-V154 VanDerWaalsContact C-N 3.35Å; V154-R156 VanDerWaalsContact C-N 3.3Å; V154-R156 PolarHBondContact O-N 3.11Å; V154-T157 PolarHBondContact O-N 3.03Å; V154-K158 HydrophobicContact CG1-CB 4.22Å; V154-K158 HydrophobicContact CG1-CD 4.45Å; V154-K158 WeakPolarHBondContact O-CB 3.46Å; V154-K158 PolarHBondContact O-N 2.9Å; V154-Y159 HydrophobicContact CG1-CD2 4.22Å; V154-Y159 HydrophobicContact CG1-CE2 4.01Å; V154-Y159 PolarHBondContact O-N 3.25Å
155	L	98.4	Very high	98.2	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-54.6	-47.1	174.3	-81	176.4	0	0	0	112.5	Y85 T95 L97 M125 A151 L152 Y159 S160 V161 I166	Y85-L155 HydrophobicContact CD2-CD2 4.17Å; Y85-L155 HydrophobicContact CE2-CD2 3.93Å; T95-L155 HydrophobicContact CG2-CD1 4.16Å; T95-L155 HydrophobicContact CG2-CD2 3.63Å; L97-L155 HydrophobicContact CB-CD1 3.96Å; L97-L155 HydrophobicContact CD1-CD1 4.24Å; L97-L155 HydrophobicContact CD2-CD1 4.38Å; L97-L155 HydrophobicContact CG-CD1 4.42Å; M125-L155 HydrophobicContact CB-CD1 4.25Å; M125-L155 HydrophobicContact CB-CD2 4.03Å; M125-L155 HydrophobicContact CB-CG 4.28Å; M125-L155 HydrophobicContact CE-CD2 3.41Å; M125-L155 VanDerWaalsContact CE-CD2 3.41Å; M125-L155 HydrophobicContact CE-CG 3.6Å; M125-L155 HydrophobicContact SD-CD1 4.2Å; M125-L155 HydrophobicContact SD-CD2 3.97Å; M125-L155 HydrophobicContact SD-CG 3.57Å; M125-L155 VanDerWaalsContact SD-CG 3.57Å; A151-L155 PolarHBondContact O-N 3.44Å; A151-L155 VanDerWaalsContact O-N 3.11Å; L152-L155 PolarHBondContact O-N 2.93Å; L155-Y159 HydrophobicContact CD2-CD2 4.41Å; L155-Y159 CarbonylContact O-C 3.58Å; L155-Y159 WeakPolarHBondContact O-CB 3.41Å; L155-Y159 PolarHBondContact O-N 3.45Å; L155-S160 PolarHBondContact O-N 3.29Å; L155-S160 VanDerWaalsContact O-N 3.17Å; L155-V161 HydrophobicContact CB-CB 4.45Å; L155-V161 HydrophobicContact CD2-CG2 4.17Å; L155-V161 PolarHBondContact O-N 3.43Å; L155-I166 HydrophobicContact CB-CD1 4.18Å; L155-I166 HydrophobicContact CD1-CD1 4.16Å; L155-I166 HydrophobicContact CD1-CG1 4.44Å; L155-I166 HydrophobicContact CD1-CG2 4.48Å
156	R	98.3	Very high	98.3	Very high	113 Å²	113	43.1 Å²	43.1	43%	0.426	23%	0.226	S	C	.	.	H	α-helix	trans	-73	-34.9	-174.6	-68.5	-178.5	67.3	-160.4	-3.9	113.4	L152 N153 V154 S160 I166	L152-R156 HydrophobicContact CD1-CG 4.46Å; L152-R156 WeakPolarHBondContact O-CG 3.5Å; L152-R156 PolarHBondContact O-N 3.36Å; L152-R156 VanDerWaalsContact O-N 3.12Å; N153-R156 PolarHBondContact O-N 3Å; V154-R156 VanDerWaalsContact C-N 3.3Å; V154-R156 PolarHBondContact O-N 3.11Å; R156-S160 WeakPolarHBondContact O-CA 3.36Å; R156-I166 HydrophobicContact CG-CD1 4.23Å
157	T	98.2	Very high	98.3	Very high	86 Å²	86	43.1 Å²	43.1	53%	0.528	23%	0.225	S	C	.	.	H	α-helix	trans	-99.9	-45.6	-170.6	56.2	0	0	0	0	112.7	N153 V154	N153-T157 WeakPolarHBondContact O-CB 3.43Å; N153-T157 WeakPolarHBondContact O-CG2 3.5Å; N153-T157 PolarHBondContact O-N 3.5Å; N153-T157 PolarHBondContact O-OG1 2.99Å; N153-T157 WeakPolarHBondContact OD1-CG2 3.21Å; V154-T157 PolarHBondContact O-N 3.03Å
158	K	97.7	Very high	98.3	Very high	111 Å²	111	43.1 Å²	43.1	48%	0.483	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-41.6	-179.6	177.2	170.4	173.6	164.9	0	111.7	M71 V154	M71-K158 HydrophobicContact CE-CD 3.91Å; M71-K158 HydrophobicContact SD-CD 4.06Å; V154-K158 HydrophobicContact CG1-CB 4.22Å; V154-K158 HydrophobicContact CG1-CD 4.45Å; V154-K158 WeakPolarHBondContact O-CB 3.46Å; V154-K158 PolarHBondContact O-N 2.9Å
159	Y	96.9	Very high	98.3	Very high	40 Å²	40	43.2 Å²	43.2	16%	0.157	23%	0.226	C	C	.	.	S	Bend	trans	-103.2	1.3	-176.2	-61.9	-68.8	0	0	0	113.7	E69 M71 Y85 M125 V154 L155 V161	E69-Y159 VanDerWaalsContact CD-OH 3.24Å; E69-Y159 PolarHBondContact OE2-OH 3.24Å; M71-Y159 HydrophobicContact CE-CE2 3.78Å; M71-Y159 WeakPolarHBondContact CE-OH 3.32Å; Y85-Y159 WeakPolarHBondContact CB-OH 3.48Å; Y85-Y159 AromaticContact CD1-CD1 3.78Å; Y85-Y159 HydrophobicContact CD1-CD1 3.78Å; Y85-Y159 HydrophobicContact CD1-CD2 4.23Å; Y85-Y159 AromaticContact CD1-CE1 3.24Å; Y85-Y159 HydrophobicContact CD1-CE1 3.24Å; Y85-Y159 AromaticContact CD1-CE2 3.74Å; Y85-Y159 HydrophobicContact CD1-CE2 3.74Å; Y85-Y159 HydrophobicContact CD1-CG 4.23Å; Y85-Y159 AromaticContact CD1-CZ 3.19Å; Y85-Y159 WeakPolarHBondContact CD1-OH 3.49Å; Y85-Y159 HydrophobicContact CD2-CD2 4.42Å; Y85-Y159 HydrophobicContact CD2-CE2 4.26Å; Y85-Y159 AromaticContact CE1-CD1 3.49Å; Y85-Y159 HydrophobicContact CE1-CD1 3.49Å; Y85-Y159 VanDerWaalsContact CE1-CD1 3.49Å; Y85-Y159 HydrophobicContact CE1-CD2 4.38Å; Y85-Y159 AromaticContact CE1-CE1 3.43Å; Y85-Y159 HydrophobicContact CE1-CE1 3.43Å; Y85-Y159 VanDerWaalsContact CE1-CE1 3.43Å; Y85-Y159 HydrophobicContact CE1-CE2 4.31Å; Y85-Y159 AromaticContact CE1-CG 3.97Å; Y85-Y159 HydrophobicContact CE1-CG 3.97Å; Y85-Y159 AromaticContact CE1-CZ 3.84Å; Y85-Y159 HydrophobicContact CG-CD2 4.23Å; Y85-Y159 HydrophobicContact CG-CE1 4.08Å; Y85-Y159 AromaticContact CG-CE2 3.68Å; Y85-Y159 HydrophobicContact CG-CE2 3.68Å; Y85-Y159 AromaticContact CG-CZ 3.57Å; M125-Y159 HydrophobicContact CE-CD2 3.8Å; M125-Y159 HydrophobicContact CE-CE2 3.66Å; V154-Y159 HydrophobicContact CG1-CD2 4.22Å; V154-Y159 HydrophobicContact CG1-CE2 4.01Å; V154-Y159 PolarHBondContact O-N 3.25Å; L155-Y159 HydrophobicContact CD2-CD2 4.41Å; L155-Y159 CarbonylContact O-C 3.58Å; L155-Y159 WeakPolarHBondContact O-CB 3.41Å; L155-Y159 PolarHBondContact O-N 3.45Å; Y159-V161 PolarHBondContact O-N 2.99Å
160	S	97.4	Very high	98.3	Very high	95 Å²	95	41 Å²	41	66%	0.664	22%	0.215	S	C	*	.			trans	53.4	27.8	177.8	-58.7	0	0	0	0	114.3	L155 R156 P162	L155-S160 PolarHBondContact O-N 3.29Å; L155-S160 VanDerWaalsContact O-N 3.17Å; R156-S160 WeakPolarHBondContact O-CA 3.36Å; S160-P162 WeakPolarHBondContact O-CD 3.22Å
161	V	97.8	Very high	98.2	Very high	12 Å²	12	40.9 Å²	40.9	7%	0.073	21%	0.213	C	C	.	.			trans	-78.5	118.1	-178.2	-171.6	0	0	0	0	109.4	L155 Y159 Q165 I166	L155-V161 HydrophobicContact CB-CB 4.45Å; L155-V161 HydrophobicContact CD2-CG2 4.17Å; L155-V161 PolarHBondContact O-N 3.43Å; Y159-V161 PolarHBondContact O-N 2.99Å; V161-Q165 HydrophobicContact CG1-CB 4.11Å; V161-I166 HydrophobicContact CB-CD1 4.38Å; V161-I166 HydrophobicContact CB-CG1 4.34Å; V161-I166 HydrophobicContact CG1-CD1 4.16Å; V161-I166 HydrophobicContact CG1-CG1 3.6Å
162	P	97.6	Very high	98.1	Very high	52 Å²	52	41.6 Å²	41.6	34%	0.338	22%	0.218	S	C	.	.			trans	-73.6	152.2	179	32.4	-36.1	0	0	0	111.3	S160 N164 Q165 I166	S160-P162 WeakPolarHBondContact O-CD 3.22Å; P162-N164 VanDerWaalsContact CB-OD1 3.3Å; P162-N164 WeakPolarHBondContact CB-OD1 3.29Å; P162-N164 VanDerWaalsContact CG-OD1 3.3Å; P162-N164 WeakPolarHBondContact CG-OD1 3.29Å; P162-N164 PolarHBondContact O-N 3.15Å; P162-N164 VanDerWaalsContact O-N 3.14Å; P162-Q165 VanDerWaalsContact CD-OE1 3.24Å; P162-Q165 HydrophobicContact CG-CB 3.98Å; P162-Q165 HydrophobicContact CG-CG 3.84Å; P162-Q165 PolarHBondContact O-N 3.47Å; P162-I166 PolarHBondContact O-N 2.98Å
163	L	98.4	Very high	97.9	Very high	38 Å²	38	41.9 Å²	41.9	20%	0.199	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-56.9	-34.2	-176.2	-71.5	170.9	0	0	0	113.3	L152 Q165 I166 H185 V187 A188	L152-L163 HydrophobicContact CD1-CD2 4.33Å; L152-L163 HydrophobicContact CD2-CD2 4.5Å; L163-Q165 PolarHBondContact O-N 2.91Å; L163-I166 PolarHBondContact O-N 3Å; L163-I166 VanDerWaalsContact O-N 3.14Å; L163-H185 HydrophobicContact CD1-CB 4.26Å; L163-H185 HydrophobicContact CD2-CB 4.01Å; L163-V187 HydrophobicContact CD2-CG1 4.1Å; L163-V187 CarbonylContact O-C 3.54Å; L163-V187 VanDerWaalsContact O-CA 3.28Å; L163-V187 WeakPolarHBondContact O-CA 3.49Å; L163-A188 PolarHBondContact O-N 2.8Å; L163-A188 VanDerWaalsContact O-N 3.14Å
164	N	97	Very high	97.8	Very high	115 Å²	115	37.8 Å²	37.8	62%	0.615	20%	0.198	S	C	*	.	G	3₁₀ helix	trans	-73.3	-1	177.5	67.6	-15.5	0	0	0	114.1	P162 A188	P162-N164 VanDerWaalsContact CB-OD1 3.3Å; P162-N164 WeakPolarHBondContact CB-OD1 3.29Å; P162-N164 VanDerWaalsContact CG-OD1 3.3Å; P162-N164 WeakPolarHBondContact CG-OD1 3.29Å; P162-N164 PolarHBondContact O-N 3.15Å; P162-N164 VanDerWaalsContact O-N 3.14Å; N164-A188 VanDerWaalsContact O-CB 3.25Å; N164-A188 WeakPolarHBondContact O-CB 3.42Å
165	Q	97.6	Very high	97.8	Very high	77 Å²	77	37.2 Å²	37.2	36%	0.36	19%	0.194	S	C	.	.	G	3₁₀ helix	trans	-114	3.9	170.8	-71.7	179.3	-8.4	0	0	112.4	K93 L94 T95 V161 P162 L163	K93-Q165 WeakPolarHBondContact O-CB 3.33Å; L94-Q165 CarbonylContact C-O 3.6Å; L94-Q165 WeakPolarHBondContact CA-O 3.32Å; L94-Q165 HydrophobicContact CD2-CB 4.45Å; T95-Q165 PolarHBondContact N-O 3.02Å; V161-Q165 HydrophobicContact CG1-CB 4.11Å; P162-Q165 VanDerWaalsContact CD-OE1 3.24Å; P162-Q165 HydrophobicContact CG-CB 3.98Å; P162-Q165 HydrophobicContact CG-CG 3.84Å; P162-Q165 PolarHBondContact O-N 3.47Å; L163-Q165 PolarHBondContact O-N 2.91Å
166	I	98.7	Very high	97.7	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	128.9	178.7	-63.1	175.4	0	0	0	109.3	T95 L97 L152 L155 R156 V161 P162 L163 L168 V187 A188	T95-I166 CarbonylContact O-C 3.17Å; T95-I166 WeakPolarHBondContact O-CA 3.27Å; L97-I166 HydrophobicContact CB-CG2 4.39Å; L152-I166 HydrophobicContact CD1-CD1 3.62Å; L152-I166 HydrophobicContact CD1-CG2 4.28Å; L155-I166 HydrophobicContact CB-CD1 4.18Å; L155-I166 HydrophobicContact CD1-CD1 4.16Å; L155-I166 HydrophobicContact CD1-CG1 4.44Å; L155-I166 HydrophobicContact CD1-CG2 4.48Å; R156-I166 HydrophobicContact CG-CD1 4.23Å; V161-I166 HydrophobicContact CB-CD1 4.38Å; V161-I166 HydrophobicContact CB-CG1 4.34Å; V161-I166 HydrophobicContact CG1-CD1 4.16Å; V161-I166 HydrophobicContact CG1-CG1 3.6Å; P162-I166 PolarHBondContact O-N 2.98Å; L163-I166 PolarHBondContact O-N 3Å; L163-I166 VanDerWaalsContact O-N 3.14Å; I166-L168 HydrophobicContact CG2-CD2 3.98Å; I166-V187 WeakPolarHBondContact O-CB 3.26Å; I166-A188 WeakPolarHBondContact O-CB 3.47Å; I166-A188 PolarHBondContact O-N 3.02Å
167	V	98.8	Very high	97.7	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	117.2	166.3	178.2	0	0	0	0	107.7	L94 T95 F96 L97 A188 A189 V191	L94-V167 HydrophobicContact CD1-CG2 4.18Å; T95-V167 PolarHBondContact O-N 3.49Å; F96-V167 CarbonylContact C-O 3.58Å; F96-V167 VanDerWaalsContact CA-O 3.28Å; F96-V167 WeakPolarHBondContact CA-O 3.32Å; F96-V167 HydrophobicContact CD1-CB 3.61Å; F96-V167 HydrophobicContact CD1-CG1 4.16Å; F96-V167 HydrophobicContact CD1-CG2 4.02Å; F96-V167 HydrophobicContact CE1-CB 3.67Å; F96-V167 HydrophobicContact CE1-CG1 3.97Å; F96-V167 HydrophobicContact CE1-CG2 3.7Å; F96-V167 HydrophobicContact CE2-CG1 4.35Å; F96-V167 HydrophobicContact CG-CB 4.16Å; F96-V167 HydrophobicContact CG-CG1 4.41Å; F96-V167 HydrophobicContact CZ-CB 4.3Å; F96-V167 HydrophobicContact CZ-CG1 4.07Å; F96-V167 HydrophobicContact CZ-CG2 4.45Å; L97-V167 PolarHBondContact N-O 2.86Å; V167-A188 HydrophobicContact CG2-CB 4.29Å; V167-A189 WeakPolarHBondContact CA-O 3.15Å; V167-A189 HydrophobicContact CG1-CB 4.28Å; V167-A189 HydrophobicContact CG2-CB 4.3Å; V167-V191 HydrophobicContact CG1-CG2 3.96Å
168	L	98.9	Very high	97.8	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.005	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	127.3	174.3	-59.8	174.4	0	0	0	108.4	L97 I166 T178 L181 A182 V187 A189 V190 V191	L97-L168 HydrophobicContact CB-CD2 4.1Å; L97-L168 HydrophobicContact CD2-CD2 3.85Å; L97-L168 HydrophobicContact CG-CD2 4.41Å; I166-L168 HydrophobicContact CG2-CD2 3.98Å; L168-T178 HydrophobicContact CB-CG2 3.96Å; L168-L181 HydrophobicContact CD1-CB 3.65Å; L168-L181 HydrophobicContact CD2-CB 4.4Å; L168-L181 HydrophobicContact CD2-CD1 3.9Å; L168-A182 HydrophobicContact CD1-CB 4.13Å; L168-V187 HydrophobicContact CD1-CB 4.45Å; L168-V187 HydrophobicContact CD1-CG1 3.9Å; L168-V187 HydrophobicContact CD1-CG2 3.83Å; L168-V187 HydrophobicContact CG-CB 4.34Å; L168-V187 HydrophobicContact CG-CG1 3.99Å; L168-V187 HydrophobicContact CG-CG2 3.89Å; L168-A189 PolarHBondContact N-O 3.26Å; L168-V190 HydrophobicContact CB-CG2 4.49Å; L168-V190 CarbonylContact O-C 3.58Å; L168-V190 VanDerWaalsContact O-CA 3.31Å; L168-V190 WeakPolarHBondContact O-CA 3.04Å; L168-V191 PolarHBondContact O-N 3.12Å
169	Y	98.9	Very high	97.8	Very high	3 Å²	3	22.4 Å²	22.4	1%	0.012	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	129	179.7	179.5	-68.9	0	0	0	108.7	F96 L97 L98 S99 Q171 T178 V191 H193 Y275	F96-Y169 HydrophobicContact CD2-CD2 4.4Å; L97-Y169 PolarHBondContact O-N 2.87Å; L98-Y169 CarbonylContact C-O 3.58Å; L98-Y169 WeakPolarHBondContact CA-O 3.27Å; L98-Y169 HydrophobicContact CD2-CD1 3.6Å; L98-Y169 HydrophobicContact CD2-CD2 4.24Å; L98-Y169 HydrophobicContact CD2-CE1 4.4Å; L98-Y169 HydrophobicContact CD2-CG 3.53Å; S99-Y169 PolarHBondContact N-O 3.38Å; Y169-Q171 HydrophobicContact CE1-CB 4.18Å; Y169-T178 PolarHBondContact O-OG1 3.02Å; Y169-V191 WeakPolarHBondContact CA-O 3.36Å; Y169-V191 HydrophobicContact CD2-CB 3.57Å; Y169-V191 HydrophobicContact CD2-CG1 3.51Å; Y169-V191 HydrophobicContact CD2-CG2 4.22Å; Y169-V191 HydrophobicContact CE2-CB 4.2Å; Y169-V191 HydrophobicContact CE2-CG1 3.58Å; Y169-V191 HydrophobicContact CG-CB 4.18Å; Y169-V191 HydrophobicContact CG-CG1 4.4Å; Y169-H193 HydrophobicContact CE1-CB 4.33Å; Y169-H193 AromaticContact CZ-ND1 3.96Å; Y169-H193 WeakPolarHBondContact OH-CB 3.42Å; Y169-H193 PolarHBondContact OH-ND1 2.64Å; Y169-Y275 WeakPolarHBondContact CE2-OH 3.38Å; Y169-Y275 PolarHBondContact OH-OH 3.04Å
170	G	98.7	Very high	97.9	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	139.5	172.4	0	0	0	0	0	111.3	S99 T175 T178 V191 H193	S99-G170 WeakPolarHBondContact O-CA 3.37Å; G170-T175 VanDerWaalsContact O-CG2 3.27Å; G170-T175 WeakPolarHBondContact O-CG2 3.43Å; G170-T178 WeakPolarHBondContact CA-OG1 3.47Å; G170-T178 PolarHBondContact N-OG1 3.33Å; G170-V191 PolarHBondContact N-O 2.93Å; G170-H193 PolarHBondContact O-N 2.79Å
171	Q	97.9	Very high	98	Very high	13 Å²	13	17 Å²	17	6%	0.061	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	132.9	171.4	-176.7	-176.5	17.8	0	0	111	S99 G101 Y169 I173 G174 H193	S99-Q171 PolarHBondContact O-N 2.98Å; S99-Q171 VanDerWaalsContact O-N 3.11Å; G101-Q171 WeakPolarHBondContact CA-O 3.4Å; Y169-Q171 HydrophobicContact CE1-CB 4.18Å; Q171-I173 PolarHBondContact O-N 3.04Å; Q171-G174 WeakPolarHBondContact O-CA 3.33Å; Q171-G174 PolarHBondContact O-N 2.91Å; Q171-H193 CarbonylContact C-O 3.48Å; Q171-H193 VanDerWaalsContact CA-O 3.26Å; Q171-H193 WeakPolarHBondContact CA-O 3.24Å; Q171-H193 HydrophobicContact CB-CB 4.29Å; Q171-H193 HydrophobicContact CG-CB 4.37Å; Q171-H193 PolarHBondContact NE2-CE1 2.86Å
172	S	96	Very high	98	Very high	15 Å²	15	16.5 Å²	16.5	11%	0.105	9%	0.088	C	C	.	.	G	3₁₀ helix	trans	53.1	-122.3	175.7	-172.9	0	0	0	0	110.7	G174 T175 H193 S194 L196 H266	S172-G174 PolarHBondContact O-N 3.05Å; S172-T175 WeakPolarHBondContact O-CB 3.43Å; S172-T175 WeakPolarHBondContact O-CG2 3.38Å; S172-T175 PolarHBondContact O-N 3.39Å; S172-T175 PolarHBondContact O-OG1 3.14Å; S172-H193 PolarHBondContact N-O 3.5Å; S172-S194 WeakPolarHBondContact CA-O 3.36Å; S172-L196 WeakPolarHBondContact O-CD2 3.45Å; S172-H266 VanDerWaalsContact CB-NE2 3.31Å; S172-H266 WeakPolarHBondContact CB-NE2 3.17Å; S172-H266 PolarHBondContact OG-CE1 3.09Å; S172-H266 PolarHBondContact OG-NE2 2.96Å
173	I	94.4	Very high	98	Very high	10 Å²	10	15.3 Å²	15.3	5%	0.051	8%	0.08	C	C	.	.	G	3₁₀ helix	trans	-57.9	-27.8	174.7	-161	165.5	0	0	0	113.8	A27 F28 N102 Q171 T175 V176 P177 F216	A27-I173 HydrophobicContact CB-CD1 3.92Å; A27-I173 WeakPolarHBondContact O-CD1 3.44Å; F28-I173 HydrophobicContact CD1-CD1 3.79Å; F28-I173 HydrophobicContact CE1-CD1 3.43Å; F28-I173 VanDerWaalsContact CE1-CD1 3.43Å; F28-I173 HydrophobicContact CE1-CG1 4.32Å; F28-I173 HydrophobicContact CZ-CD1 4.06Å; N102-I173 HydrophobicContact CB-CG2 3.99Å; Q171-I173 PolarHBondContact O-N 3.04Å; I173-T175 PolarHBondContact O-N 3.27Å; I173-T175 VanDerWaalsContact O-N 3.17Å; I173-V176 HydrophobicContact CG1-CG2 4.43Å; I173-V176 VanDerWaalsContact O-CB 3.24Å; I173-V176 WeakPolarHBondContact O-CB 3.26Å; I173-V176 WeakPolarHBondContact O-CG2 3.48Å; I173-V176 PolarHBondContact O-N 3.29Å; I173-P177 WeakPolarHBondContact O-CD 3.45Å; I173-F216 HydrophobicContact CD1-CE2 4.19Å; I173-F216 HydrophobicContact CD1-CZ 4.08Å
174	G	97.8	Very high	98	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.093	C	C	.	.	G	3₁₀ helix	trans	-63.5	-17.1	174.7	0	0	0	0	0	113.7	S99 H100 Y129 Q171 S172 V176 P177 T178	S99-G174 VanDerWaalsContact CB-O 3.24Å; S99-G174 WeakPolarHBondContact CB-O 3.46Å; S99-G174 WeakPolarHBondContact O-CA 3.31Å; H100-G174 WeakPolarHBondContact O-CA 3.37Å; H100-G174 PolarHBondContact O-N 2.85Å; Y129-G174 WeakPolarHBondContact OH-CA 3.27Å; Q171-G174 WeakPolarHBondContact O-CA 3.33Å; Q171-G174 PolarHBondContact O-N 2.91Å; S172-G174 PolarHBondContact O-N 3.05Å; G174-V176 PolarHBondContact O-N 3.39Å; G174-P177 VanDerWaalsContact O-CD 3.28Å; G174-P177 WeakPolarHBondContact O-CD 3.43Å; G174-P177 WeakPolarHBondContact O-CG 3.3Å; G174-T178 WeakPolarHBondContact O-CB 3.28Å; G174-T178 PolarHBondContact O-N 3.34Å; G174-T178 PolarHBondContact O-OG1 2.81Å; G174-T178 VanDerWaalsContact O-OG1 3.05Å
175	T	98.4	Very high	98.1	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-65.5	-20.4	171.8	64	0	0	0	0	112.5	G170 S172 I173 I179 L192 P195 L196 N218	G170-T175 VanDerWaalsContact O-CG2 3.27Å; G170-T175 WeakPolarHBondContact O-CG2 3.43Å; S172-T175 WeakPolarHBondContact O-CB 3.43Å; S172-T175 WeakPolarHBondContact O-CG2 3.38Å; S172-T175 PolarHBondContact O-N 3.39Å; S172-T175 PolarHBondContact O-OG1 3.14Å; I173-T175 PolarHBondContact O-N 3.27Å; I173-T175 VanDerWaalsContact O-N 3.17Å; T175-I179 VanDerWaalsContact O-CB 3.29Å; T175-I179 WeakPolarHBondContact O-CB 3.25Å; T175-I179 VanDerWaalsContact O-CG1 3.29Å; T175-I179 WeakPolarHBondContact O-CG1 3.11Å; T175-I179 PolarHBondContact O-N 2.76Å; T175-L192 HydrophobicContact CG2-CB 4.44Å; T175-L192 HydrophobicContact CG2-CD2 4.32Å; T175-P195 HydrophobicContact CG2-CB 3.68Å; T175-L196 WeakPolarHBondContact OG1-CD2 3.32Å; T175-N218 PolarHBondContact OG1-ND2 2.94Å
176	V	97.3	Very high	98.1	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-69.7	-55.5	-179.2	-178.7	0	0	0	0	113.1	Y145 I173 G174 T178 H180 L196 F216 N218	Y145-V176 HydrophobicContact CE1-CG1 3.8Å; I173-V176 HydrophobicContact CG1-CG2 4.43Å; I173-V176 VanDerWaalsContact O-CB 3.24Å; I173-V176 WeakPolarHBondContact O-CB 3.26Å; I173-V176 WeakPolarHBondContact O-CG2 3.48Å; I173-V176 PolarHBondContact O-N 3.29Å; G174-V176 PolarHBondContact O-N 3.39Å; V176-T178 VanDerWaalsContact C-N 3.31Å; V176-H180 WeakPolarHBondContact O-CB 3.09Å; V176-H180 PolarHBondContact O-N 3.47Å; V176-H180 VanDerWaalsContact O-N 3.11Å; V176-L196 HydrophobicContact CG2-CD1 4.34Å; V176-L196 HydrophobicContact CG2-CD2 3.89Å; V176-L196 HydrophobicContact CG2-CG 4.25Å; V176-F216 HydrophobicContact CB-CB 4.44Å; V176-F216 HydrophobicContact CB-CD1 4.49Å; V176-F216 HydrophobicContact CG1-CB 3.92Å; V176-F216 HydrophobicContact CG1-CD1 3.76Å; V176-F216 HydrophobicContact CG1-CG 4.2Å; V176-F216 HydrophobicContact CG2-CB 3.64Å; V176-F216 HydrophobicContact CG2-CD1 4.3Å; V176-F216 HydrophobicContact CG2-CG 4.06Å; V176-N218 WeakPolarHBondContact CA-OD1 3.28Å
177	P	98.4	Very high	98.1	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-64.5	-34.9	170.5	22.9	-31.5	0	0	0	112.5	Y129 A148 I173 G174 H180 L181	Y129-P177 HydrophobicContact CE1-CG 4.23Å; A148-P177 HydrophobicContact CB-CB 3.5Å; A148-P177 VanDerWaalsContact CB-CB 3.5Å; I173-P177 WeakPolarHBondContact O-CD 3.45Å; G174-P177 VanDerWaalsContact O-CD 3.28Å; G174-P177 WeakPolarHBondContact O-CD 3.43Å; G174-P177 WeakPolarHBondContact O-CG 3.3Å; P177-H180 WeakPolarHBondContact O-CB 3.33Å; P177-H180 PolarHBondContact O-N 2.9Å; P177-L181 WeakPolarHBondContact O-CG 3.24Å; P177-L181 PolarHBondContact O-N 2.68Å
178	T	98.9	Very high	98.1	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-60.6	-48.8	177.3	-69.4	0	0	0	0	112.1	S99 L168 Y169 G170 G174 V176 H180 L181 A182 V190 L192	S99-T178 PolarHBondContact OG-OG1 2.85Å; L168-T178 HydrophobicContact CB-CG2 3.96Å; Y169-T178 PolarHBondContact O-OG1 3.02Å; G170-T178 WeakPolarHBondContact CA-OG1 3.47Å; G170-T178 PolarHBondContact N-OG1 3.33Å; G174-T178 WeakPolarHBondContact O-CB 3.28Å; G174-T178 PolarHBondContact O-N 3.34Å; G174-T178 PolarHBondContact O-OG1 2.81Å; G174-T178 VanDerWaalsContact O-OG1 3.05Å; V176-T178 VanDerWaalsContact C-N 3.31Å; T178-H180 VanDerWaalsContact C-N 3.33Å; T178-H180 PolarHBondContact O-N 3.19Å; T178-L181 PolarHBondContact O-N 3.41Å; T178-A182 WeakPolarHBondContact O-CB 3.37Å; T178-A182 PolarHBondContact O-N 3.19Å; T178-V190 HydrophobicContact CG2-CG1 3.75Å; T178-L192 HydrophobicContact CG2-CD2 3.78Å
179	I	98.7	Very high	98.1	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-64.2	-39.9	175.9	-76.5	172.8	0	0	0	110.8	T175 L181 A182 T183 L192 N218 R221 I225	T175-I179 VanDerWaalsContact O-CB 3.29Å; T175-I179 WeakPolarHBondContact O-CB 3.25Å; T175-I179 VanDerWaalsContact O-CG1 3.29Å; T175-I179 WeakPolarHBondContact O-CG1 3.11Å; T175-I179 PolarHBondContact O-N 2.76Å; I179-L181 PolarHBondContact O-N 3.26Å; I179-A182 PolarHBondContact O-N 3.14Å; I179-T183 WeakPolarHBondContact O-CG2 3.28Å; I179-T183 PolarHBondContact O-N 3.45Å; I179-L192 HydrophobicContact CD1-CD1 3.91Å; I179-L192 HydrophobicContact CD1-CD2 4.11Å; I179-L192 HydrophobicContact CG1-CD1 4.1Å; I179-L192 HydrophobicContact CG1-CD2 3.73Å; I179-N218 HydrophobicContact CD1-CB 3.65Å; I179-N218 HydrophobicContact CG2-CB 4.47Å; I179-R221 HydrophobicContact CG2-CB 3.75Å; I179-I225 HydrophobicContact CB-CD1 4.34Å; I179-I225 HydrophobicContact CG1-CD1 3.93Å; I179-I225 HydrophobicContact CG2-CD1 4.02Å
180	H	98.3	Very high	98.1	Very high	22 Å²	22	19.8 Å²	19.8	10%	0.102	9%	0.094	C	C	.	.	H	α-helix	trans	-54.2	-54.5	174.2	174	72.3	0	0	0	111.8	Y145 E149 V176 P177 T178 A182 T183 L184	Y145-H180 HydrophobicContact CD1-CB 3.64Å; Y145-H180 AromaticContact CD1-CD2 3.89Å; Y145-H180 AromaticContact CD1-CG 3.54Å; Y145-H180 HydrophobicContact CE1-CB 3.91Å; Y145-H180 AromaticContact CG-CG 3.96Å; E149-H180 IonicContact OE1-CD2 2.99Å; E149-H180 IonicContact OE1-CE1 2.9Å; E149-H180 IonicContact OE1-NE2 3.78Å; E149-H180 PolarHBondContact OE1-NE2 3.44Å; V176-H180 WeakPolarHBondContact O-CB 3.09Å; V176-H180 PolarHBondContact O-N 3.47Å; V176-H180 VanDerWaalsContact O-N 3.11Å; P177-H180 WeakPolarHBondContact O-CB 3.33Å; P177-H180 PolarHBondContact O-N 2.9Å; T178-H180 VanDerWaalsContact C-N 3.33Å; T178-H180 PolarHBondContact O-N 3.19Å; H180-A182 VanDerWaalsContact C-N 3.31Å; H180-A182 PolarHBondContact O-N 3.26Å; H180-T183 PolarHBondContact O-N 2.82Å; H180-T183 VanDerWaalsContact O-N 3.11Å; H180-T183 PolarHBondContact O-OG1 2.99Å; H180-L184 PolarHBondContact O-N 3.3Å
181	L	98.8	Very high	98.1	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-58.9	-42	177	-68.7	-177.6	0	0	0	112.2	L97 A148 E149 L152 L168 P177 T178 I179 T183 L184 H185	L97-L181 HydrophobicContact CD2-CD1 3.92Å; A148-L181 HydrophobicContact CB-CD1 3.86Å; A148-L181 HydrophobicContact CB-CD2 4.32Å; A148-L181 HydrophobicContact CB-CG 4.04Å; E149-L181 HydrophobicContact CB-CD2 4.34Å; E149-L181 HydrophobicContact CG-CD2 3.61Å; L152-L181 HydrophobicContact CB-CD1 4.24Å; L152-L181 HydrophobicContact CB-CD2 4.46Å; L152-L181 HydrophobicContact CD2-CD1 4.36Å; L152-L181 HydrophobicContact CD2-CD2 3.97Å; L168-L181 HydrophobicContact CD1-CB 3.65Å; L168-L181 HydrophobicContact CD2-CB 4.4Å; L168-L181 HydrophobicContact CD2-CD1 3.9Å; P177-L181 WeakPolarHBondContact O-CG 3.24Å; P177-L181 PolarHBondContact O-N 2.68Å; T178-L181 PolarHBondContact O-N 3.41Å; I179-L181 PolarHBondContact O-N 3.26Å; L181-T183 PolarHBondContact O-N 2.95Å; L181-L184 PolarHBondContact O-N 3.02Å; L181-H185 PolarHBondContact O-N 3.3Å
182	A	98.7	Very high	98.1	Very high	1 Å²	1	19.1 Å²	19.1	1%	0.008	9%	0.091	C	C	.	.	H	α-helix	trans	-65.7	-20.4	178.9	0	0	0	0	0	113.9	L168 T178 I179 H180 V190 I225	L168-A182 HydrophobicContact CD1-CB 4.13Å; T178-A182 WeakPolarHBondContact O-CB 3.37Å; T178-A182 PolarHBondContact O-N 3.19Å; I179-A182 PolarHBondContact O-N 3.14Å; H180-A182 VanDerWaalsContact C-N 3.31Å; H180-A182 PolarHBondContact O-N 3.26Å; A182-V190 HydrophobicContact CB-CG1 4.41Å; A182-V190 HydrophobicContact CB-CG2 3.71Å; A182-I225 HydrophobicContact CB-CD1 4.26Å; A182-I225 HydrophobicContact CB-CG1 4.05Å; A182-I225 HydrophobicContact CB-CG2 4.03Å
183	T	98.3	Very high	98.2	Very high	26 Å²	26	18.4 Å²	18.4	16%	0.16	9%	0.086	C	C	.	.	H	α-helix	trans	-81.9	-16.7	170.3	66.2	0	0	0	0	114	I179 H180 L181 R221 R224 I225	I179-T183 WeakPolarHBondContact O-CG2 3.28Å; I179-T183 PolarHBondContact O-N 3.45Å; H180-T183 PolarHBondContact O-N 2.82Å; H180-T183 VanDerWaalsContact O-N 3.11Å; H180-T183 PolarHBondContact O-OG1 2.99Å; L181-T183 PolarHBondContact O-N 2.95Å; T183-R221 HydrophobicContact CG2-CB 3.9Å; T183-R221 WeakPolarHBondContact CG2-O 3.26Å; T183-R224 HydrophobicContact CG2-CB 3.87Å; T183-I225 HydrophobicContact CG2-CG1 4.11Å
184	L	98.3	Very high	98.4	Very high	89 Å²	89	18 Å²	18	47%	0.466	8%	0.084	S	C	.	.	H	α-helix	trans	-98.6	-28.3	-179.6	-60.7	179.7	0	0	0	112.4	E149 H180 L181	E149-L184 HydrophobicContact CG-CD1 4.48Å; H180-L184 PolarHBondContact O-N 3.3Å; L181-L184 PolarHBondContact O-N 3.02Å
185	H	98.4	Very high	98.4	Very high	48 Å²	48	18 Å²	18	22%	0.222	8%	0.084	C	C	.	.			trans	-135	135.4	-171.5	-57.5	-62.3	0	0	0	111.8	L152 L163 L181 V187	L152-H185 WeakPolarHBondContact CD2-CD2 3.32Å; L163-H185 HydrophobicContact CD1-CB 4.26Å; L163-H185 HydrophobicContact CD2-CB 4.01Å; L181-H185 PolarHBondContact O-N 3.3Å; H185-V187 HydrophobicContact CB-CG1 4.14Å; H185-V187 PolarHBondContact O-N 2.69Å
186	R	98.2	Very high	98.2	Very high	172 Å²	172	18.5 Å²	18.5	65%	0.649	9%	0.086	S	C	*	.			trans	-79.8	105.8	161.5	-167.4	172.8	-178.8	-117.6	-0.9	108.8	I226 S227	R186-I226 HydrophobicContact CB-CD1 3.86Å; R186-I226 HydrophobicContact CB-CG1 4.11Å; R186-I226 HydrophobicContact CG-CD1 4.13Å; R186-I226 HydrophobicContact CG-CG1 4.12Å; R186-S227 WeakPolarHBondContact CA-OG 3.24Å
187	V	98.5	Very high	98.1	Very high	4 Å²	4	19 Å²	19	2%	0.024	9%	0.089	C	C	.	.			trans	-100.7	173	175.1	-63.5	0	0	0	0	111.5	L163 I166 L168 H185 A189 V190 S227	L163-V187 HydrophobicContact CD2-CG1 4.1Å; L163-V187 CarbonylContact O-C 3.54Å; L163-V187 VanDerWaalsContact O-CA 3.28Å; L163-V187 WeakPolarHBondContact O-CA 3.49Å; I166-V187 WeakPolarHBondContact O-CB 3.26Å; L168-V187 HydrophobicContact CD1-CB 4.45Å; L168-V187 HydrophobicContact CD1-CG1 3.9Å; L168-V187 HydrophobicContact CD1-CG2 3.83Å; L168-V187 HydrophobicContact CG-CB 4.34Å; L168-V187 HydrophobicContact CG-CG1 3.99Å; L168-V187 HydrophobicContact CG-CG2 3.89Å; H185-V187 HydrophobicContact CB-CG1 4.14Å; H185-V187 PolarHBondContact O-N 2.69Å; V187-A189 VanDerWaalsContact CG2-O 3.32Å; V187-A189 WeakPolarHBondContact CG2-O 3.43Å; V187-A189 PolarHBondContact O-N 2.84Å; V187-V190 HydrophobicContact CG2-CG2 3.8Å; V187-S227 WeakPolarHBondContact CG2-OG 3.37Å; V187-S227 PolarHBondContact N-OG 2.86Å; V187-S227 PolarHBondContact O-OG 3.45Å
188	A	98.1	Very high	97.8	Very high	15 Å²	15	19 Å²	19	12%	0.124	9%	0.089	C	C	.	.	S	Bend	trans	-57	-49.4	179.7	0	0	0	0	0	112.1	L94 L163 N164 I166 V167 V287	L94-A188 HydrophobicContact CD2-CB 4.46Å; L163-A188 PolarHBondContact O-N 2.8Å; L163-A188 VanDerWaalsContact O-N 3.14Å; N164-A188 VanDerWaalsContact O-CB 3.25Å; N164-A188 WeakPolarHBondContact O-CB 3.42Å; I166-A188 WeakPolarHBondContact O-CB 3.47Å; I166-A188 PolarHBondContact O-N 3.02Å; V167-A188 HydrophobicContact CG2-CB 4.29Å; A188-V287 HydrophobicContact CB-CG1 3.82Å
189	A	98.7	Very high	97.2	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	167.3	172.1	0	0	0	0	0	111.2	V167 L168 V187 P228 L282 V287	V167-A189 WeakPolarHBondContact CA-O 3.15Å; V167-A189 HydrophobicContact CG1-CB 4.28Å; V167-A189 HydrophobicContact CG2-CB 4.3Å; L168-A189 PolarHBondContact N-O 3.26Å; V187-A189 VanDerWaalsContact CG2-O 3.32Å; V187-A189 WeakPolarHBondContact CG2-O 3.43Å; V187-A189 PolarHBondContact O-N 2.84Å; A189-P228 CarbonylContact C-O 3.55Å; A189-P228 VanDerWaalsContact CA-O 3.27Å; A189-P228 WeakPolarHBondContact CA-O 3.34Å; A189-L282 HydrophobicContact CB-CD1 3.96Å; A189-L282 HydrophobicContact CB-CD2 4.48Å; A189-V287 HydrophobicContact CB-CG2 3.78Å
190	V	98.9	Very high	96.5	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	131.4	173	-176.8	0	0	0	0	108.5	L168 T178 A182 V187 L192 P228 T229 L230	L168-V190 HydrophobicContact CB-CG2 4.49Å; L168-V190 CarbonylContact O-C 3.58Å; L168-V190 VanDerWaalsContact O-CA 3.31Å; L168-V190 WeakPolarHBondContact O-CA 3.04Å; T178-V190 HydrophobicContact CG2-CG1 3.75Å; A182-V190 HydrophobicContact CB-CG1 4.41Å; A182-V190 HydrophobicContact CB-CG2 3.71Å; V187-V190 HydrophobicContact CG2-CG2 3.8Å; V190-L192 HydrophobicContact CG1-CD2 3.77Å; V190-L192 HydrophobicContact CG1-CG 4.06Å; V190-P228 PolarHBondContact N-O 3.37Å; V190-T229 HydrophobicContact CB-CG2 4.02Å; V190-T229 HydrophobicContact CG1-CG2 4.14Å; V190-T229 CarbonylContact O-C 3.54Å; V190-T229 WeakPolarHBondContact O-CA 3.21Å; V190-L230 PolarHBondContact O-N 2.95Å
191	V	98.9	Very high	95.9	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	120.5	172	-177.5	0	0	0	0	108.7	V167 L168 Y169 G170 L230 I232 L279 L282	V167-V191 HydrophobicContact CG1-CG2 3.96Å; L168-V191 PolarHBondContact O-N 3.12Å; Y169-V191 WeakPolarHBondContact CA-O 3.36Å; Y169-V191 HydrophobicContact CD2-CB 3.57Å; Y169-V191 HydrophobicContact CD2-CG1 3.51Å; Y169-V191 HydrophobicContact CD2-CG2 4.22Å; Y169-V191 HydrophobicContact CE2-CB 4.2Å; Y169-V191 HydrophobicContact CE2-CG1 3.58Å; Y169-V191 HydrophobicContact CG-CB 4.18Å; Y169-V191 HydrophobicContact CG-CG1 4.4Å; G170-V191 PolarHBondContact N-O 2.93Å; V191-L230 WeakPolarHBondContact CA-O 3.16Å; V191-L230 HydrophobicContact CG2-CB 4.5Å; V191-L230 HydrophobicContact CG2-CD2 4.49Å; V191-I232 HydrophobicContact CG1-CD1 4.17Å; V191-L279 HydrophobicContact CG1-CD2 4.12Å; V191-L279 HydrophobicContact CG2-CD2 4.11Å; V191-L282 HydrophobicContact CG2-CD2 3.43Å; V191-L282 VanDerWaalsContact CG2-CD2 3.43Å
192	L	98.9	Very high	95.2	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	100.9	176.2	-58.4	-178.6	0	0	0	108.5	T175 T178 I179 V190 P195 T229 L230 I231 I232 I252	T175-L192 HydrophobicContact CG2-CB 4.44Å; T175-L192 HydrophobicContact CG2-CD2 4.32Å; T178-L192 HydrophobicContact CG2-CD2 3.78Å; I179-L192 HydrophobicContact CD1-CD1 3.91Å; I179-L192 HydrophobicContact CD1-CD2 4.11Å; I179-L192 HydrophobicContact CG1-CD1 4.1Å; I179-L192 HydrophobicContact CG1-CD2 3.73Å; V190-L192 HydrophobicContact CG1-CD2 3.77Å; V190-L192 HydrophobicContact CG1-CG 4.06Å; L192-P195 HydrophobicContact CB-CB 4.07Å; L192-P195 HydrophobicContact CB-CG 4.04Å; L192-T229 HydrophobicContact CD1-CG2 3.76Å; L192-T229 HydrophobicContact CG-CG2 3.97Å; L192-L230 PolarHBondContact N-O 2.74Å; L192-I231 HydrophobicContact CB-CG1 4.11Å; L192-I231 HydrophobicContact CD1-CG1 4.12Å; L192-I231 WeakPolarHBondContact O-CA 3.28Å; L192-I232 PolarHBondContact O-N 3.5Å; L192-I252 HydrophobicContact CD1-CD1 3.82Å
193	H	98.5	Very high	94.2	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	119.6	177.9	178.4	-169.4	0	0	0	109.9	Y169 G170 Q171 S172 I232 C269 E270 Y275	Y169-H193 HydrophobicContact CE1-CB 4.33Å; Y169-H193 AromaticContact CZ-ND1 3.96Å; Y169-H193 WeakPolarHBondContact OH-CB 3.42Å; Y169-H193 PolarHBondContact OH-ND1 2.64Å; G170-H193 PolarHBondContact O-N 2.79Å; Q171-H193 CarbonylContact C-O 3.48Å; Q171-H193 VanDerWaalsContact CA-O 3.26Å; Q171-H193 WeakPolarHBondContact CA-O 3.24Å; Q171-H193 HydrophobicContact CB-CB 4.29Å; Q171-H193 HydrophobicContact CG-CB 4.37Å; Q171-H193 PolarHBondContact NE2-CE1 2.86Å; S172-H193 PolarHBondContact N-O 3.5Å; H193-I232 CarbonylContact C-O 3.17Å; H193-I232 WeakPolarHBondContact CA-O 3.29Å; H193-C269 VanDerWaalsContact NE2-CB 3.27Å; H193-C269 WeakPolarHBondContact NE2-CB 3.49Å; H193-E270 IonicContact CE1-OE2 3.75Å; H193-Y275 AromaticContact CE1-CE2 3.93Å; H193-Y275 AromaticContact ND1-CE2 3.93Å
194	S	97.6	Very high	93.4	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.148	C	C	.	.	S	Bend	trans	49.4	53.1	-177.2	-54.2	0	0	0	0	113.1	S172 I232	S172-S194 WeakPolarHBondContact CA-O 3.36Å; S194-I232 PolarHBondContact N-O 3.25Å
195	P	98.1	Very high	92.3	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.156	C	C	.	.			trans	-74.6	146.8	-171.3	31.7	-38	0	0	0	114.5	T175 L192 I231 H233 I240 H244 A245 L248	T175-P195 HydrophobicContact CG2-CB 3.68Å; L192-P195 HydrophobicContact CB-CB 4.07Å; L192-P195 HydrophobicContact CB-CG 4.04Å; P195-I231 HydrophobicContact CG-CG2 4.07Å; P195-H233 WeakPolarHBondContact CD-ND1 3.46Å; P195-I240 WeakPolarHBondContact O-CG2 3.46Å; P195-H244 VanDerWaalsContact O-CB 3.29Å; P195-H244 WeakPolarHBondContact O-CB 3.01Å; P195-A245 HydrophobicContact CG-CB 4.18Å; P195-L248 HydrophobicContact CB-CD1 3.62Å; P195-L248 HydrophobicContact CG-CD1 3.86Å
196	L	94.5	Very high	91.2	Very high	11 Å²	11	37.8 Å²	37.8	6%	0.058	19%	0.188	C	C	.	.			trans	-93.7	142.9	167.2	60	162.7	0	0	0	112.4	S172 T175 V176 V202 F216 N218 I240	S172-L196 WeakPolarHBondContact O-CD2 3.45Å; T175-L196 WeakPolarHBondContact OG1-CD2 3.32Å; V176-L196 HydrophobicContact CG2-CD1 4.34Å; V176-L196 HydrophobicContact CG2-CD2 3.89Å; V176-L196 HydrophobicContact CG2-CG 4.25Å; L196-V202 HydrophobicContact CB-CG2 3.66Å; L196-V202 HydrophobicContact CD1-CG2 4.12Å; L196-F216 HydrophobicContact CD1-CB 4.13Å; L196-F216 HydrophobicContact CD1-CD2 4.41Å; L196-N218 VanDerWaalsContact O-CB 3.29Å; L196-N218 WeakPolarHBondContact O-CB 3.42Å; L196-N218 PolarHBondContact O-ND2 2.88Å; L196-I240 HydrophobicContact CB-CD1 4.13Å; L196-I240 HydrophobicContact CB-CG2 4.45Å; L196-I240 HydrophobicContact CD2-CD1 4.43Å
197	M	93.7	Very high	90	Very high	10 Å²	10	30.7 Å²	30.7	5%	0.049	16%	0.163	C	C	.	.	S	Bend	trans	-67.6	-46.2	165.4	-77.3	-171.7	-75.1	0	0	112.7	R201 N218 Y219 V243 H244 R247 L248	M197-R201 HydrophobicContact CB-CB 4.4Å; M197-R201 HydrophobicContact CE-CB 4.39Å; M197-N218 CarbonylContact O-C 3.5Å; M197-N218 WeakPolarHBondContact O-CA 3.3Å; M197-N218 WeakPolarHBondContact O-CB 3.47Å; M197-N218 PolarHBondContact O-N 3.43Å; M197-Y219 HydrophobicContact CG-CD2 4.11Å; M197-Y219 WeakPolarHBondContact O-CB 3.36Å; M197-Y219 PolarHBondContact O-N 2.95Å; M197-Y219 HydrophobicContact SD-CD2 3.87Å; M197-Y219 HydrophobicContact SD-CE2 4.19Å; M197-Y219 HydrophobicContact SD-CG 4.45Å; M197-V243 HydrophobicContact CE-CG1 4.45Å; M197-H244 HydrophobicContact CE-CB 4.35Å; M197-H244 HydrophobicContact CG-CB 4.2Å; M197-H244 PolarHBondContact N-ND1 2.57Å; M197-H244 VanDerWaalsContact N-ND1 3.18Å; M197-R247 HydrophobicContact CE-CB 4.37Å; M197-R247 HydrophobicContact CE-CG 4.28Å; M197-R247 HydrophobicContact CG-CB 4.23Å; M197-R247 HydrophobicContact SD-CB 3.39Å; M197-R247 WeakPolarHBondContact SD-CB 3.39Å; M197-R247 HydrophobicContact SD-CG 3.81Å; M197-L248 HydrophobicContact CG-CG 4.13Å
198	S	91.9	Very high	88.8	Confident	0 Å²	0	40 Å²	40	0%	0	20%	0.203	C	C	.	.			trans	-172	165.4	176.9	66.7	0	0	0	0	111.1	R201 V202 D214 F216	S198-R201 PolarHBondContact O-N 3.19Å; S198-R201 WeakPolarHBondContact OG-CB 3.41Å; S198-R201 WeakPolarHBondContact OG-CD 3.4Å; S198-R201 VanDerWaalsContact OG-CG 3.23Å; S198-R201 WeakPolarHBondContact OG-CG 3.24Å; S198-R201 PolarHBondContact OG-N 3.16Å; S198-V202 WeakPolarHBondContact O-CG2 3.28Å; S198-V202 PolarHBondContact O-N 3.17Å; S198-V202 VanDerWaalsContact O-N 3.16Å; S198-D214 VanDerWaalsContact CB-CG 3.45Å; S198-D214 WeakPolarHBondContact CB-OD1 3.16Å; S198-D214 WeakPolarHBondContact CB-OD2 3.25Å; S198-D214 VanDerWaalsContact OG-CG 3.28Å; S198-D214 PolarHBondContact OG-OD1 2.81Å; S198-D214 PolarHBondContact OG-OD2 3.04Å; S198-F216 WeakPolarHBondContact CA-O 3.27Å
199	G	86.3	Confident	87.7	Confident	16 Å²	16	48.1 Å²	48.1	17%	0.165	23%	0.23	C	C	.	.	H	α-helix	trans	-64.5	-43.8	-177.8	0	0	0	0	0	113.2	R201 V202 A203 D214 V215	G199-R201 VanDerWaalsContact C-N 3.28Å; G199-R201 PolarHBondContact O-N 2.99Å; G199-V202 PolarHBondContact O-N 3.18Å; G199-A203 PolarHBondContact O-N 2.8Å; G199-A203 VanDerWaalsContact O-N 3.11Å; G199-D214 PolarHBondContact N-OD1 3.44Å; G199-V215 PolarHBondContact N-O 3.44Å
200	L	84.6	Confident	86.3	Confident	14 Å²	14	52 Å²	52	7%	0.073	25%	0.251	C	S	.	.	H	α-helix	trans	-66.2	-31.8	177.2	-68.9	179.9	0	0	0	112.2	L13 V202 A203 F204 L207 D214	L13-L200 HydrophobicContact CD1-CD2 3.85Å; L200-V202 VanDerWaalsContact C-N 3.33Å; L200-A203 PolarHBondContact O-N 3.49Å; L200-F204 HydrophobicContact CD2-CD2 4.37Å; L200-F204 HydrophobicContact CD2-CE2 4.31Å; L200-F204 WeakPolarHBondContact O-CA 3.21Å; L200-F204 WeakPolarHBondContact O-CB 3.45Å; L200-F204 PolarHBondContact O-N 3.11Å; L200-L207 HydrophobicContact CB-CD2 3.79Å; L200-D214 VanDerWaalsContact CB-OD1 3.31Å; L200-D214 WeakPolarHBondContact CB-OD1 3.36Å; L200-D214 HydrophobicContact CD1-CB 3.77Å; L200-D214 HydrophobicContact CG-CB 4.17Å; L200-D214 WeakPolarHBondContact CG-OD1 3.35Å; L200-D214 PolarHBondContact N-OD1 2.91Å
201	R	86.4	Confident	85	Confident	17 Å²	17	53.5 Å²	53.5	6%	0.064	26%	0.257	C	S	.	.	H	α-helix	trans	-71.7	-29.2	177.4	-70.2	175.7	-178.2	-71.6	-2.1	112.4	M197 S198 G199 F204 P205 L207 K208 R209 N210 H244	M197-R201 HydrophobicContact CB-CB 4.4Å; M197-R201 HydrophobicContact CE-CB 4.39Å; S198-R201 PolarHBondContact O-N 3.19Å; S198-R201 WeakPolarHBondContact OG-CB 3.41Å; S198-R201 WeakPolarHBondContact OG-CD 3.4Å; S198-R201 VanDerWaalsContact OG-CG 3.23Å; S198-R201 WeakPolarHBondContact OG-CG 3.24Å; S198-R201 PolarHBondContact OG-N 3.16Å; G199-R201 VanDerWaalsContact C-N 3.28Å; G199-R201 PolarHBondContact O-N 2.99Å; R201-F204 CarbonylContact O-C 3.59Å; R201-P205 WeakPolarHBondContact O-CA 3.48Å; R201-L207 HydrophobicContact CG-CD2 4.45Å; R201-L207 PolarHBondContact NH1-O 2.91Å; R201-K208 PolarHBondContact NH2-O 3.22Å; R201-K208 VanDerWaalsContact NH2-O 3.09Å; R201-R209 PolarHBondContact NH2-O 3.46Å; R201-N210 PolarHBondContact NH2-OD1 3.35Å; R201-H244 VanDerWaalsContact C-CE1 3.48Å; R201-H244 PolarHBondContact O-NE2 3.12Å
202	V	83.7	Confident	83.6	Confident	49 Å²	49	59 Å²	59	30%	0.297	30%	0.295	S	S	.	.	H	α-helix	trans	-69.3	-48.2	171.4	174.3	0	0	0	0	109.9	L196 S198 G199 L200 F204 I240	L196-V202 HydrophobicContact CB-CG2 3.66Å; L196-V202 HydrophobicContact CD1-CG2 4.12Å; S198-V202 WeakPolarHBondContact O-CG2 3.28Å; S198-V202 PolarHBondContact O-N 3.17Å; S198-V202 VanDerWaalsContact O-N 3.16Å; G199-V202 PolarHBondContact O-N 3.18Å; L200-V202 VanDerWaalsContact C-N 3.33Å; V202-F204 PolarHBondContact O-N 2.94Å; V202-I240 HydrophobicContact CG2-CG1 4.46Å
203	A	78.7	Confident	82.3	Confident	66 Å²	66	60.2 Å²	60.2	55%	0.545	30%	0.302	S	S	.	.	H	α-helix	trans	-69.9	-30.9	-179.1	0	0	0	0	0	113.6	G199 L200	G199-A203 PolarHBondContact O-N 2.8Å; G199-A203 VanDerWaalsContact O-N 3.11Å; L200-A203 PolarHBondContact O-N 3.49Å
204	F	80.5	Confident	81.4	Confident	85 Å²	85	61.1 Å²	61.1	37%	0.373	31%	0.307	S	S	.	.			trans	-132.2	81.5	-177.9	-55.3	-75.6	0	0	0	110.6	L200 R201 V202 R206 L207	L200-F204 HydrophobicContact CD2-CD2 4.37Å; L200-F204 HydrophobicContact CD2-CE2 4.31Å; L200-F204 WeakPolarHBondContact O-CA 3.21Å; L200-F204 WeakPolarHBondContact O-CB 3.45Å; L200-F204 PolarHBondContact O-N 3.11Å; R201-F204 CarbonylContact O-C 3.59Å; V202-F204 PolarHBondContact O-N 2.94Å; F204-R206 PolarHBondContact O-N 3.37Å; F204-L207 HydrophobicContact CB-CB 4.46Å; F204-L207 VanDerWaalsContact O-CB 3.22Å; F204-L207 WeakPolarHBondContact O-CB 3.49Å; F204-L207 PolarHBondContact O-N 2.76Å
205	P	75.4	Confident	80.8	Confident	98 Å²	98	62 Å²	62	64%	0.636	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-25.4	-172	-28.5	35.9	0	0	0	115.6	R201 L207	R201-P205 WeakPolarHBondContact O-CA 3.48Å; P205-L207 VanDerWaalsContact C-N 3.28Å; P205-L207 PolarHBondContact O-N 2.77Å
206	R	75.3	Confident	80.2	Confident	237 Å²	237	62.3 Å²	62.3	89%	0.894	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	0.8	-179.5	-62	-176.7	-176.7	168.2	1	114	F204 K208	F204-R206 PolarHBondContact O-N 3.37Å; R206-K208 PolarHBondContact O-N 2.97Å
207	L	73.9	Confident	79.9	Confident	23 Å²	23	63.1 Å²	63.1	12%	0.12	32%	0.321	C	S	.	.			trans	-65.1	123.2	-177.5	-156.3	68.7	0	0	0	110.6	I9 L200 R201 F204 P205 Y211	I9-L207 HydrophobicContact CD1-CD1 4.15Å; L200-L207 HydrophobicContact CB-CD2 3.79Å; R201-L207 HydrophobicContact CG-CD2 4.45Å; R201-L207 PolarHBondContact NH1-O 2.91Å; F204-L207 HydrophobicContact CB-CB 4.46Å; F204-L207 VanDerWaalsContact O-CB 3.22Å; F204-L207 WeakPolarHBondContact O-CB 3.49Å; F204-L207 PolarHBondContact O-N 2.76Å; P205-L207 VanDerWaalsContact C-N 3.28Å; P205-L207 PolarHBondContact O-N 2.77Å; L207-Y211 HydrophobicContact CD1-CD2 4.1Å; L207-Y211 HydrophobicContact CD1-CE2 3.31Å; L207-Y211 HydrophobicContact CD2-CD2 3.7Å; L207-Y211 HydrophobicContact CD2-CE2 3.76Å; L207-Y211 HydrophobicContact CG-CD2 4.05Å; L207-Y211 HydrophobicContact CG-CE2 3.56Å
208	K	72.6	Confident	79.8	Confident	199 Å²	199	62.6 Å²	62.6	87%	0.865	32%	0.318	S	S	*	.			trans	-99	-38.2	177.4	-65.4	-177.1	-179.1	178.3	0	112.7	R201 R206	R201-K208 PolarHBondContact NH2-O 3.22Å; R201-K208 VanDerWaalsContact NH2-O 3.09Å; R206-K208 PolarHBondContact O-N 2.97Å
209	R	74.1	Confident	79.8	Confident	185 Å²	185	65.2 Å²	65.2	70%	0.698	33%	0.328	S	S	*	.	S	Bend	trans	-83.4	153.1	-175.9	-161.9	176	-179.2	139.2	0.7	112.2	R201 Y211	R201-R209 PolarHBondContact NH2-O 3.46Å; R209-Y211 HydrophobicContact CB-CE2 3.89Å; R209-Y211 WeakPolarHBondContact O-CD2 3.47Å; R209-Y211 WeakPolarHBondContact O-CE2 3.35Å
210	N	70.7	Confident	80.1	Confident	81 Å²	81	68.1 Å²	68.1	43%	0.433	34%	0.343	S	S	.	.			trans	-85.9	134.2	168.4	-59.6	-30.5	0	0	0	109.4	R201	R201-N210 PolarHBondContact NH2-OD1 3.35Å
211	Y	71.1	Confident	80.6	Confident	32 Å²	32	69.4 Å²	69.4	13%	0.125	35%	0.347	C	S	.	.			trans	-113.1	143.2	178.9	-66.1	-91.7	0	0	0	109.8	C6 I9 L207 R209 C213 D214	C6-Y211 HydrophobicContact CB-CD1 4.22Å; C6-Y211 HydrophobicContact CB-CE1 3.94Å; I9-Y211 HydrophobicContact CD1-CE1 4.01Å; I9-Y211 HydrophobicContact CD1-CE2 4.29Å; L207-Y211 HydrophobicContact CD1-CD2 4.1Å; L207-Y211 HydrophobicContact CD1-CE2 3.31Å; L207-Y211 HydrophobicContact CD2-CD2 3.7Å; L207-Y211 HydrophobicContact CD2-CE2 3.76Å; L207-Y211 HydrophobicContact CG-CD2 4.05Å; L207-Y211 HydrophobicContact CG-CE2 3.56Å; R209-Y211 HydrophobicContact CB-CE2 3.89Å; R209-Y211 WeakPolarHBondContact O-CD2 3.47Å; R209-Y211 WeakPolarHBondContact O-CE2 3.35Å; Y211-C213 PolarHBondContact O-N 2.88Å; Y211-D214 VanDerWaalsContact O-CB 3.28Å; Y211-D214 WeakPolarHBondContact O-CB 3.46Å; Y211-D214 PolarHBondContact O-N 3.11Å; Y211-D214 VanDerWaalsContact O-N 3.14Å
212	C	68.7	Low	81.1	Confident	117 Å²	117	68.6 Å²	68.6	79%	0.791	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-21.4	-179.5	57.5	0	0	0	0	113.3	D214	C212-D214 VanDerWaalsContact C-N 3.3Å
213	C	72.5	Confident	81.8	Confident	24 Å²	24	68.9 Å²	68.9	16%	0.162	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	4.8	176.7	-55.4	0	0	0	0	113.5	C14 Y211	C14-C213 PolarHBondContact SG-SG 2.99Å; Y211-C213 PolarHBondContact O-N 2.88Å
214	D	79.6	Confident	82.7	Confident	19 Å²	19	72.6 Å²	72.6	10%	0.102	35%	0.346	C	S	.	.			trans	-71	133.9	179.6	-157.2	-3.2	0	0	0	111	S198 G199 L200 Y211 C212	S198-D214 VanDerWaalsContact CB-CG 3.45Å; S198-D214 WeakPolarHBondContact CB-OD1 3.16Å; S198-D214 WeakPolarHBondContact CB-OD2 3.25Å; S198-D214 VanDerWaalsContact OG-CG 3.28Å; S198-D214 PolarHBondContact OG-OD1 2.81Å; S198-D214 PolarHBondContact OG-OD2 3.04Å; G199-D214 PolarHBondContact N-OD1 3.44Å; L200-D214 VanDerWaalsContact CB-OD1 3.31Å; L200-D214 WeakPolarHBondContact CB-OD1 3.36Å; L200-D214 HydrophobicContact CD1-CB 3.77Å; L200-D214 HydrophobicContact CG-CB 4.17Å; L200-D214 WeakPolarHBondContact CG-OD1 3.35Å; L200-D214 PolarHBondContact N-OD1 2.91Å; Y211-D214 VanDerWaalsContact O-CB 3.28Å; Y211-D214 WeakPolarHBondContact O-CB 3.46Å; Y211-D214 PolarHBondContact O-N 3.11Å; Y211-D214 VanDerWaalsContact O-N 3.14Å; C212-D214 VanDerWaalsContact C-N 3.3Å
215	V	83.7	Confident	83.6	Confident	19 Å²	19	68.6 Å²	68.6	12%	0.115	33%	0.329	C	S	.	.	S	Bend	trans	-101	155.2	177.7	-65.5	0	0	0	0	109.2	A23 G199 S217	A23-V215 HydrophobicContact CB-CB 4.35Å; A23-V215 HydrophobicContact CB-CG1 3.77Å; A23-V215 HydrophobicContact CB-CG2 3.89Å; G199-V215 PolarHBondContact N-O 3.44Å; V215-S217 VanDerWaalsContact C-N 3.28Å; V215-S217 PolarHBondContact O-N 3.48Å
216	F	86.3	Confident	84.6	Confident	6 Å²	6	68.5 Å²	68.5	3%	0.026	32%	0.322	C	S	.	.	S	Bend	trans	59	38.8	174.6	-47.7	-46.5	0	0	0	113.3	A27 F28 E141 L144 I173 V176 L196 S198 N218	A27-F216 HydrophobicContact CB-CE2 3.39Å; A27-F216 HydrophobicContact CB-CZ 3.78Å; F28-F216 HydrophobicContact CE1-CZ 4.44Å; F28-F216 HydrophobicContact CE2-CE1 4.2Å; F28-F216 AromaticContact CE2-CZ 3.78Å; F28-F216 HydrophobicContact CE2-CZ 3.78Å; F28-F216 AromaticContact CZ-CE1 3.74Å; F28-F216 HydrophobicContact CZ-CE1 3.74Å; F28-F216 AromaticContact CZ-CZ 3.6Å; F28-F216 HydrophobicContact CZ-CZ 3.6Å; E141-F216 HydrophobicContact CB-CD1 4.12Å; E141-F216 HydrophobicContact CB-CE1 3.68Å; E141-F216 HydrophobicContact CG-CD1 3.74Å; E141-F216 HydrophobicContact CG-CE1 3.83Å; E141-F216 WeakPolarHBondContact OE1-CA 3.42Å; E141-F216 PolarHBondContact OE1-N 2.86Å; L144-F216 HydrophobicContact CD1-CE1 4.01Å; I173-F216 HydrophobicContact CD1-CE2 4.19Å; I173-F216 HydrophobicContact CD1-CZ 4.08Å; V176-F216 HydrophobicContact CB-CB 4.44Å; V176-F216 HydrophobicContact CB-CD1 4.49Å; V176-F216 HydrophobicContact CG1-CB 3.92Å; V176-F216 HydrophobicContact CG1-CD1 3.76Å; V176-F216 HydrophobicContact CG1-CG 4.2Å; V176-F216 HydrophobicContact CG2-CB 3.64Å; V176-F216 HydrophobicContact CG2-CD1 4.3Å; V176-F216 HydrophobicContact CG2-CG 4.06Å; L196-F216 HydrophobicContact CD1-CB 4.13Å; L196-F216 HydrophobicContact CD1-CD2 4.41Å; S198-F216 WeakPolarHBondContact CA-O 3.27Å; F216-N218 PolarHBondContact O-N 3.29Å
217	S	88.1	Confident	85.7	Confident	28 Å²	28	57.2 Å²	57.2	20%	0.196	28%	0.279	C	S	.	.			trans	-68.6	61.9	-171.4	-71.6	0	0	0	0	114.3	V215 Y219 V220 R221	V215-S217 VanDerWaalsContact C-N 3.28Å; V215-S217 PolarHBondContact O-N 3.48Å; S217-Y219 PolarHBondContact O-N 2.91Å; S217-V220 PolarHBondContact O-N 3.03Å; S217-R221 PolarHBondContact O-N 3.48Å
218	N	92.7	Very high	86.8	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-55.6	-37.6	174	-73.6	-18	0	0	0	111.4	T175 V176 I179 L196 M197 F216 V220 R221 A222 L248	T175-N218 PolarHBondContact OG1-ND2 2.94Å; V176-N218 WeakPolarHBondContact CA-OD1 3.28Å; I179-N218 HydrophobicContact CD1-CB 3.65Å; I179-N218 HydrophobicContact CG2-CB 4.47Å; L196-N218 VanDerWaalsContact O-CB 3.29Å; L196-N218 WeakPolarHBondContact O-CB 3.42Å; L196-N218 PolarHBondContact O-ND2 2.88Å; M197-N218 CarbonylContact O-C 3.5Å; M197-N218 WeakPolarHBondContact O-CA 3.3Å; M197-N218 WeakPolarHBondContact O-CB 3.47Å; M197-N218 PolarHBondContact O-N 3.43Å; F216-N218 PolarHBondContact O-N 3.29Å; N218-V220 VanDerWaalsContact C-N 3.27Å; N218-V220 PolarHBondContact O-N 2.7Å; N218-R221 PolarHBondContact O-N 2.9Å; N218-A222 WeakPolarHBondContact O-CB 3.49Å; N218-A222 PolarHBondContact O-N 3.14Å; N218-L248 HydrophobicContact CB-CD2 4.33Å
219	Y	91.5	Very high	88.1	Confident	55 Å²	55	48.1 Å²	48.1	22%	0.216	24%	0.242	C	C	.	.	H	α-helix	trans	-54.3	-42.5	178.3	-171.3	-122.7	0	0	0	112.1	M197 S217 R247 R251	M197-Y219 HydrophobicContact CG-CD2 4.11Å; M197-Y219 WeakPolarHBondContact O-CB 3.36Å; M197-Y219 PolarHBondContact O-N 2.95Å; M197-Y219 HydrophobicContact SD-CD2 3.87Å; M197-Y219 HydrophobicContact SD-CE2 4.19Å; M197-Y219 HydrophobicContact SD-CG 4.45Å; S217-Y219 PolarHBondContact O-N 2.91Å; Y219-R247 HydrophobicContact CE2-CB 4.39Å; Y219-R251 VanDerWaalsContact CD2-NH1 3.35Å; Y219-R251 VanDerWaalsContact CE2-NH1 3.29Å; Y219-R251 WeakPolarHBondContact O-CD 3.37Å; Y219-R251 PolarHBondContact O-NE 2.87Å; Y219-R251 PolarHBondContact O-NH1 2.8Å
220	V	92.3	Very high	89.3	Confident	77 Å²	77	39.3 Å²	39.3	47%	0.467	21%	0.209	S	C	.	.	H	α-helix	trans	-73.8	-29.1	179	176.6	0	0	0	0	111.8	S217 N218	S217-V220 PolarHBondContact O-N 3.03Å; N218-V220 VanDerWaalsContact C-N 3.27Å; N218-V220 PolarHBondContact O-N 2.7Å
221	R	95.8	Very high	90.6	Very high	41 Å²	41	35.5 Å²	35.5	16%	0.155	19%	0.188	C	C	.	.	H	α-helix	trans	-86.6	-30.1	-176.3	-64.9	-173.9	-176.5	164.9	5.7	113.5	Y145 I179 T183 S217 N218 P223 R224	Y145-R221 VanDerWaalsContact OH-CZ 3.26Å; Y145-R221 PolarHBondContact OH-NH1 3.33Å; Y145-R221 PolarHBondContact OH-NH2 3.06Å; I179-R221 HydrophobicContact CG2-CB 3.75Å; T183-R221 HydrophobicContact CG2-CB 3.9Å; T183-R221 WeakPolarHBondContact CG2-O 3.26Å; S217-R221 PolarHBondContact O-N 3.48Å; N218-R221 PolarHBondContact O-N 2.9Å; R221-P223 VanDerWaalsContact C-N 3.34Å; R221-R224 WeakPolarHBondContact O-CB 3.41Å; R221-R224 PolarHBondContact O-N 3.11Å
222	A	97	Very high	91.9	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-47.7	-42.3	-175.1	0	0	0	0	0	115	N218 R224 I225 L248 R251 I252	N218-A222 WeakPolarHBondContact O-CB 3.49Å; N218-A222 PolarHBondContact O-N 3.14Å; A222-R224 PolarHBondContact O-N 3.31Å; A222-I225 PolarHBondContact O-N 3.5Å; A222-I225 VanDerWaalsContact O-N 3.12Å; A222-L248 HydrophobicContact CB-CD2 3.85Å; A222-R251 HydrophobicContact CB-CB 4.38Å; A222-R251 HydrophobicContact CB-CG 4.26Å; A222-I252 HydrophobicContact CB-CG1 3.82Å
223	P	97.6	Very high	93.3	Very high	55 Å²	55	28.4 Å²	28.4	36%	0.357	15%	0.145	S	C	.	.	G	3₁₀ helix	trans	-59.8	-17.9	177.6	-24.6	34	0	0	0	115.4	R221 R251 P253	R221-P223 VanDerWaalsContact C-N 3.34Å; P223-R251 WeakPolarHBondContact CA-O 3.3Å; P223-R251 HydrophobicContact CG-CG 3.63Å; P223-P253 WeakPolarHBondContact O-CG 3.35Å
224	R	97.9	Very high	94.5	Very high	144 Å²	144	27.2 Å²	27.2	54%	0.543	14%	0.137	S	C	.	.	G	3₁₀ helix	trans	-91.1	-3.5	-177.8	-57.8	-172.8	-63.7	-168.5	6.9	113.2	T183 R221 A222 I226	T183-R224 HydrophobicContact CG2-CB 3.87Å; R221-R224 WeakPolarHBondContact O-CB 3.41Å; R221-R224 PolarHBondContact O-N 3.11Å; A222-R224 PolarHBondContact O-N 3.31Å; R224-I226 PolarHBondContact O-N 3.02Å
225	I	98.3	Very high	95.3	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.146	C	C	.	.			trans	-79.8	116	178.8	-57.9	175	0	0	0	109	I179 A182 T183 A222 T229 I252 P253	I179-I225 HydrophobicContact CB-CD1 4.34Å; I179-I225 HydrophobicContact CG1-CD1 3.93Å; I179-I225 HydrophobicContact CG2-CD1 4.02Å; A182-I225 HydrophobicContact CB-CD1 4.26Å; A182-I225 HydrophobicContact CB-CG1 4.05Å; A182-I225 HydrophobicContact CB-CG2 4.03Å; T183-I225 HydrophobicContact CG2-CG1 4.11Å; A222-I225 PolarHBondContact O-N 3.5Å; A222-I225 VanDerWaalsContact O-N 3.12Å; I225-T229 WeakPolarHBondContact CG2-OG1 3.46Å; I225-I252 HydrophobicContact CB-CG2 4.18Å; I225-I252 HydrophobicContact CD1-CD1 4.01Å; I225-I252 HydrophobicContact CD1-CG1 4.17Å; I225-I252 HydrophobicContact CG2-CG2 4.26Å; I225-P253 WeakPolarHBondContact O-CD 3.34Å
226	I	96.8	Very high	95.8	Very high	96 Å²	96	33.9 Å²	33.9	49%	0.492	17%	0.169	S	C	.	.			trans	-101.1	-16.7	178.8	59.7	176.4	0	0	0	113.2	R186 R224 N254	R186-I226 HydrophobicContact CB-CD1 3.86Å; R186-I226 HydrophobicContact CB-CG1 4.11Å; R186-I226 HydrophobicContact CG-CD1 4.13Å; R186-I226 HydrophobicContact CG-CG1 4.12Å; R224-I226 PolarHBondContact O-N 3.02Å; I226-N254 PolarHBondContact O-ND2 3.42Å
227	S	98.4	Very high	96.1	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.17	C	C	.	.	S	Bend	trans	-70	147.7	177.6	-77.9	0	0	0	0	112.1	R186 V187 T229	R186-S227 WeakPolarHBondContact CA-OG 3.24Å; V187-S227 WeakPolarHBondContact CG2-OG 3.37Å; V187-S227 PolarHBondContact N-OG 2.86Å; V187-S227 PolarHBondContact O-OG 3.45Å; S227-T229 PolarHBondContact O-N 2.74Å; S227-T229 VanDerWaalsContact O-N 3.16Å; S227-T229 PolarHBondContact O-OG1 2.87Å
228	P	98.2	Very high	96.1	Very high	31 Å²	31	41.9 Å²	41.9	20%	0.201	20%	0.204	C	C	.	.			trans	-52.5	121.9	170.1	-23.7	33.6	0	0	0	110	A189 V190 N254 L256	A189-P228 CarbonylContact C-O 3.55Å; A189-P228 VanDerWaalsContact CA-O 3.27Å; A189-P228 WeakPolarHBondContact CA-O 3.34Å; V190-P228 PolarHBondContact N-O 3.37Å; P228-N254 WeakPolarHBondContact CA-O 3.35Å; P228-L256 HydrophobicContact CB-CD1 3.85Å; P228-L256 HydrophobicContact CB-CD2 4.02Å; P228-L256 HydrophobicContact CB-CG 3.93Å
229	T	98.7	Very high	95.9	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	116.3	-172.4	-57.2	0	0	0	0	111.7	V190 L192 I225 S227 I252 N254 T255 L256	V190-T229 HydrophobicContact CB-CG2 4.02Å; V190-T229 HydrophobicContact CG1-CG2 4.14Å; V190-T229 CarbonylContact O-C 3.54Å; V190-T229 WeakPolarHBondContact O-CA 3.21Å; L192-T229 HydrophobicContact CD1-CG2 3.76Å; L192-T229 HydrophobicContact CG-CG2 3.97Å; I225-T229 WeakPolarHBondContact CG2-OG1 3.46Å; S227-T229 PolarHBondContact O-N 2.74Å; S227-T229 VanDerWaalsContact O-N 3.16Å; S227-T229 PolarHBondContact O-OG1 2.87Å; T229-I252 HydrophobicContact CG2-CD1 3.87Å; T229-N254 PolarHBondContact N-O 2.87Å; T229-T255 CarbonylContact O-C 3.54Å; T229-T255 WeakPolarHBondContact O-CA 3.15Å; T229-L256 PolarHBondContact O-N 2.79Å
230	L	98.7	Very high	95.8	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	130.3	170.2	172.3	58.6	0	0	0	109.9	V190 V191 L192 I232 L256 E257 R278 L279 L282	V190-L230 PolarHBondContact O-N 2.95Å; V191-L230 WeakPolarHBondContact CA-O 3.16Å; V191-L230 HydrophobicContact CG2-CB 4.5Å; V191-L230 HydrophobicContact CG2-CD2 4.49Å; L192-L230 PolarHBondContact N-O 2.74Å; L230-I232 HydrophobicContact CD1-CG1 4.26Å; L230-I232 HydrophobicContact CD2-CD1 3.98Å; L230-I232 HydrophobicContact CD2-CG1 4.08Å; L230-I232 HydrophobicContact CG-CD1 4.36Å; L230-I232 HydrophobicContact CG-CG1 3.93Å; L230-L256 HydrophobicContact CB-CD1 4.31Å; L230-E257 VanDerWaalsContact CD1-O 3.22Å; L230-E257 WeakPolarHBondContact CD1-O 3.44Å; L230-R278 HydrophobicContact CD1-CG 4.01Å; L230-R278 HydrophobicContact CD2-CG 3.84Å; L230-L279 HydrophobicContact CD2-CD2 4.01Å; L230-L282 HydrophobicContact CD2-CB 4.39Å; L230-L282 HydrophobicContact CD2-CD2 4.01Å
231	I	98.8	Very high	95.8	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.005	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	129.6	169.9	-65.7	167.2	0	0	0	108.7	L192 P195 A245 L248 Y249 I252 P258 L259	L192-I231 HydrophobicContact CB-CG1 4.11Å; L192-I231 HydrophobicContact CD1-CG1 4.12Å; L192-I231 WeakPolarHBondContact O-CA 3.28Å; P195-I231 HydrophobicContact CG-CG2 4.07Å; I231-A245 HydrophobicContact CG2-CB 3.56Å; I231-L248 HydrophobicContact CD1-CB 4.2Å; I231-Y249 HydrophobicContact CD1-CD2 4.37Å; I231-I252 HydrophobicContact CD1-CD1 4.33Å; I231-P258 HydrophobicContact CB-CB 4.4Å; I231-P258 CarbonylContact O-C 3.58Å; I231-P258 WeakPolarHBondContact O-CA 3.49Å; I231-L259 PolarHBondContact O-N 3.19Å
232	I	98.7	Very high	95.7	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	130.1	174.8	-52.9	178.7	0	0	0	108.2	V191 L192 H193 S194 L230 L259 I261 Y275 L279	V191-I232 HydrophobicContact CG1-CD1 4.17Å; L192-I232 PolarHBondContact O-N 3.5Å; H193-I232 CarbonylContact C-O 3.17Å; H193-I232 WeakPolarHBondContact CA-O 3.29Å; S194-I232 PolarHBondContact N-O 3.25Å; L230-I232 HydrophobicContact CD1-CG1 4.26Å; L230-I232 HydrophobicContact CD2-CD1 3.98Å; L230-I232 HydrophobicContact CD2-CG1 4.08Å; L230-I232 HydrophobicContact CG-CD1 4.36Å; L230-I232 HydrophobicContact CG-CG1 3.93Å; I232-L259 CarbonylContact C-O 3.57Å; I232-L259 VanDerWaalsContact CA-O 3.28Å; I232-L259 WeakPolarHBondContact CA-O 3.43Å; I232-L259 HydrophobicContact CG1-CB 4.27Å; I232-L259 HydrophobicContact CG2-CB 4.31Å; I232-L259 HydrophobicContact CG2-CD2 3.98Å; I232-L259 HydrophobicContact CG2-CG 4.28Å; I232-I261 HydrophobicContact CG2-CD1 4.09Å; I232-I261 HydrophobicContact CG2-CG1 4.48Å; I232-Y275 HydrophobicContact CD1-CD2 4.1Å; I232-Y275 HydrophobicContact CD1-CE2 3.91Å; I232-Y275 HydrophobicContact CG2-CD2 3.92Å; I232-Y275 HydrophobicContact CG2-CE2 4.26Å; I232-L279 HydrophobicContact CD1-CD2 3.98Å; I232-L279 HydrophobicContact CD1-CG 4.19Å
233	H	98.3	Very high	95.5	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	139.5	-178.8	-148.4	115.9	0	0	0	111.9	P195 D237 I240 A245 L259 F260 I261	P195-H233 WeakPolarHBondContact CD-ND1 3.46Å; H233-D237 IonicContact CD2-OD2 2.72Å; H233-D237 IonicContact CE1-OD2 2.77Å; H233-D237 IonicContact NE2-OD2 3.85Å; H233-D237 PolarHBondContact NE2-OD2 3.33Å; H233-I240 PolarHBondContact CE1-O 3.25Å; H233-I240 PolarHBondContact NE2-O 3.37Å; H233-A245 HydrophobicContact CB-CB 3.77Å; H233-A245 WeakPolarHBondContact ND1-CB 3.48Å; H233-L259 PolarHBondContact N-O 2.53Å; H233-F260 HydrophobicContact CB-CD1 3.98Å; H233-F260 HydrophobicContact CB-CE1 3.93Å; H233-F260 CarbonylContact O-C 3.57Å; H233-F260 VanDerWaalsContact O-CA 3.25Å; H233-F260 WeakPolarHBondContact O-CA 3.35Å; H233-I261 PolarHBondContact O-N 3.01Å
234	G	96.9	Very high	95.5	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	137.9	172.9	0	0	0	0	0	112.9	E236 D237 A264 C269	G234-E236 VanDerWaalsContact C-N 3.25Å; G234-E236 PolarHBondContact O-N 3.06Å; G234-D237 PolarHBondContact O-N 3.46Å; G234-A264 CarbonylContact C-O 3.59Å; G234-A264 WeakPolarHBondContact CA-O 3.03Å; G234-C269 PolarHBondContact N-SG 3.25Å; G234-C269 VanDerWaalsContact N-SG 3.35Å
235	T	95.9	Very high	95.4	Very high	48 Å²	48	40.3 Å²	40.3	29%	0.294	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-18.4	-178.9	62.5	0	0	0	0	113.9	F260 I261 R262 G263 A264	T235-F260 HydrophobicContact CG2-CB 4.12Å; T235-I261 PolarHBondContact N-O 3.11Å; T235-I261 PolarHBondContact OG1-O 2.89Å; T235-R262 HydrophobicContact CG2-CG 4.32Å; T235-R262 WeakPolarHBondContact OG1-CA 3.49Å; T235-G263 PolarHBondContact OG1-N 3.36Å; T235-A264 PolarHBondContact N-O 3.47Å
236	E	95.3	Very high	95.3	Very high	129 Å²	129	43.1 Å²	43.1	60%	0.603	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-109.9	27	179.8	-60.6	-175.1	-167.2	0	0	110.9	G234 E238 A264	G234-E236 VanDerWaalsContact C-N 3.25Å; G234-E236 PolarHBondContact O-N 3.06Å; E236-E238 PolarHBondContact O-N 3.23Å; E236-A264 CarbonylContact C-O 3.48Å; E236-A264 WeakPolarHBondContact CA-O 3.39Å; E236-A264 PolarHBondContact N-O 3.04Å
237	D	93.1	Very high	95.3	Very high	9 Å²	9	44.1 Å²	44.1	5%	0.048	21%	0.212	C	C	.	.			trans	-68.2	101.9	176.4	-172.3	-17.3	0	0	0	111.5	H233 G234 I239 I240 H266	H233-D237 IonicContact CD2-OD2 2.72Å; H233-D237 IonicContact CE1-OD2 2.77Å; H233-D237 IonicContact NE2-OD2 3.85Å; H233-D237 PolarHBondContact NE2-OD2 3.33Å; G234-D237 PolarHBondContact O-N 3.46Å; D237-I239 VanDerWaalsContact C-N 3.32Å; D237-I239 WeakPolarHBondContact OD1-CA 3.4Å; D237-I239 PolarHBondContact OD1-N 3.02Å; D237-I240 WeakPolarHBondContact CB-O 3.4Å; D237-I240 PolarHBondContact OD1-N 3.48Å; D237-I240 VanDerWaalsContact OD2-O 3.09Å; D237-H266 VanDerWaalsContact CG-ND1 3.31Å; D237-H266 VanDerWaalsContact OD1-CB 3.24Å; D237-H266 WeakPolarHBondContact OD1-CB 3.41Å; D237-H266 IonicContact OD1-CG 3.71Å; D237-H266 IonicContact OD1-ND1 3.63Å; D237-H266 PolarHBondContact OD1-ND1 2.86Å; D237-H266 VanDerWaalsContact OD1-ND1 3.17Å; D237-H266 IonicContact OD2-CE1 3.61Å; D237-H266 IonicContact OD2-CG 3.92Å; D237-H266 IonicContact OD2-ND1 2.88Å; D237-H266 PolarHBondContact OD2-ND1 3.11Å
238	E	88.3	Confident	95.3	Very high	193 Å²	193	44.1 Å²	44.1	90%	0.902	21%	0.212	S	C	*	.	S	Bend	trans	-80	-8.2	178.3	-60.2	-174.1	156.2	0	0	113.9	E236	E236-E238 PolarHBondContact O-N 3.23Å
239	I	86.9	Confident	95.2	Very high	104 Å²	104	46.3 Å²	46.3	53%	0.533	22%	0.217	S	C	.	.	S	Bend	trans	-96.5	-46.5	-178.8	-53.6	-58.7	0	0	0	110.4	D237 H266	D237-I239 VanDerWaalsContact C-N 3.32Å; D237-I239 WeakPolarHBondContact OD1-CA 3.4Å; D237-I239 PolarHBondContact OD1-N 3.02Å; I239-H266 HydrophobicContact CB-CB 3.98Å; I239-H266 HydrophobicContact CG1-CB 3.74Å
240	I	89.7	Confident	95.1	Very high	6 Å²	6	52.5 Å²	52.5	3%	0.031	25%	0.246	C	C	.	.	S	Bend	trans	-129.5	101.6	177.7	-53.6	-173.8	0	0	0	107.4	P195 L196 V202 H233 D237 R242 H244 H266	P195-I240 WeakPolarHBondContact O-CG2 3.46Å; L196-I240 HydrophobicContact CB-CD1 4.13Å; L196-I240 HydrophobicContact CB-CG2 4.45Å; L196-I240 HydrophobicContact CD2-CD1 4.43Å; V202-I240 HydrophobicContact CG2-CG1 4.46Å; H233-I240 PolarHBondContact CE1-O 3.25Å; H233-I240 PolarHBondContact NE2-O 3.37Å; D237-I240 WeakPolarHBondContact CB-O 3.4Å; D237-I240 PolarHBondContact OD1-N 3.48Å; D237-I240 VanDerWaalsContact OD2-O 3.09Å; I240-R242 PolarHBondContact O-N 3.28Å; I240-H244 HydrophobicContact CG2-CB 3.75Å; I240-H266 VanDerWaalsContact CD1-CE1 3.45Å; I240-H266 WeakPolarHBondContact CD1-CE1 3.21Å
241	D	92.2	Very high	95	Very high	77 Å²	77	56.3 Å²	56.3	41%	0.412	26%	0.26	S	S	.	.			trans	-54.8	139.2	-179.7	-175.8	-77.6	0	0	0	111.5	V243 H244	D241-V243 PolarHBondContact O-N 2.86Å; D241-V243 WeakPolarHBondContact OD1-CB 3.23Å; D241-V243 WeakPolarHBondContact OD1-CG2 3.5Å; D241-V243 PolarHBondContact OD1-N 2.96Å; D241-H244 WeakPolarHBondContact O-CB 3.5Å; D241-H244 PolarHBondContact O-CD2 3.05Å; D241-H244 PolarHBondContact O-N 3.35Å
242	R	94.1	Very high	95	Very high	89 Å²	89	56.5 Å²	56.5	34%	0.336	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51	-24	180	65.4	-179.6	178.5	85.6	-0.8	114.5	I240 H244 A245 Q246 F260	I240-R242 PolarHBondContact O-N 3.28Å; R242-H244 PolarHBondContact O-N 2.78Å; R242-A245 PolarHBondContact O-N 3.22Å; R242-A245 VanDerWaalsContact O-N 3.15Å; R242-Q246 WeakPolarHBondContact O-CG 3.44Å; R242-Q246 PolarHBondContact O-N 2.95Å; R242-F260 HydrophobicContact CB-CD1 4.47Å; R242-F260 HydrophobicContact CB-CE1 4.25Å
243	V	93.9	Very high	94.8	Very high	58 Å²	58	60 Å²	60	35%	0.352	28%	0.284	S	S	.	.	H	α-helix	trans	-54.8	-32	173	168.8	0	0	0	0	111	M197 D241 Q246 R247	M197-V243 HydrophobicContact CE-CG1 4.45Å; D241-V243 PolarHBondContact O-N 2.86Å; D241-V243 WeakPolarHBondContact OD1-CB 3.23Å; D241-V243 WeakPolarHBondContact OD1-CG2 3.5Å; D241-V243 PolarHBondContact OD1-N 2.96Å; V243-Q246 PolarHBondContact O-N 2.81Å; V243-R247 HydrophobicContact CG1-CG 3.92Å; V243-R247 WeakPolarHBondContact O-CB 3.38Å; V243-R247 WeakPolarHBondContact O-CG 3.36Å; V243-R247 PolarHBondContact O-N 3.49Å
244	H	96	Very high	94.6	Very high	6 Å²	6	62.8 Å²	62.8	3%	0.028	30%	0.299	C	S	.	.	H	α-helix	trans	-61.2	-50.4	176.1	-74.4	-131.5	0	0	0	112.1	P195 M197 R201 I240 D241 R242 R247 L248	P195-H244 VanDerWaalsContact O-CB 3.29Å; P195-H244 WeakPolarHBondContact O-CB 3.01Å; M197-H244 HydrophobicContact CE-CB 4.35Å; M197-H244 HydrophobicContact CG-CB 4.2Å; M197-H244 PolarHBondContact N-ND1 2.57Å; M197-H244 VanDerWaalsContact N-ND1 3.18Å; R201-H244 VanDerWaalsContact C-CE1 3.48Å; R201-H244 PolarHBondContact O-NE2 3.12Å; I240-H244 HydrophobicContact CG2-CB 3.75Å; D241-H244 WeakPolarHBondContact O-CB 3.5Å; D241-H244 PolarHBondContact O-CD2 3.05Å; D241-H244 PolarHBondContact O-N 3.35Å; R242-H244 PolarHBondContact O-N 2.78Å; H244-R247 PolarHBondContact O-N 3.38Å; H244-L248 WeakPolarHBondContact O-CB 3.36Å; H244-L248 VanDerWaalsContact O-CG 3.32Å; H244-L248 WeakPolarHBondContact O-CG 3.35Å; H244-L248 PolarHBondContact O-N 2.84Å
245	A	96.9	Very high	94.6	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-61	-43.8	173.9	0	0	0	0	0	112.2	P195 I231 H233 R242 R247 L248 Y249 F260	P195-A245 HydrophobicContact CG-CB 4.18Å; I231-A245 HydrophobicContact CG2-CB 3.56Å; H233-A245 HydrophobicContact CB-CB 3.77Å; H233-A245 WeakPolarHBondContact ND1-CB 3.48Å; R242-A245 PolarHBondContact O-N 3.22Å; R242-A245 VanDerWaalsContact O-N 3.15Å; A245-R247 PolarHBondContact O-N 2.8Å; A245-L248 PolarHBondContact O-N 2.91Å; A245-Y249 WeakPolarHBondContact O-CB 3.16Å; A245-Y249 PolarHBondContact O-N 3.14Å; A245-F260 HydrophobicContact CB-CE1 3.86Å; A245-F260 HydrophobicContact CB-CZ 3.95Å
246	Q	96.6	Very high	94.7	Very high	58 Å²	58	63.6 Å²	63.6	27%	0.271	30%	0.303	S	S	.	.	H	α-helix	trans	-61.1	-45.6	179.8	-68.4	180	-29	0	0	112.2	R242 V243 L248 Y249 E250 F260	R242-Q246 WeakPolarHBondContact O-CG 3.44Å; R242-Q246 PolarHBondContact O-N 2.95Å; V243-Q246 PolarHBondContact O-N 2.81Å; Q246-L248 VanDerWaalsContact C-N 3.34Å; Q246-L248 PolarHBondContact O-N 2.99Å; Q246-Y249 WeakPolarHBondContact O-CB 3.41Å; Q246-Y249 PolarHBondContact O-N 3.2Å; Q246-E250 WeakPolarHBondContact O-CG 3.36Å; Q246-E250 PolarHBondContact O-N 3.17Å; Q246-F260 HydrophobicContact CG-CE1 3.97Å; Q246-F260 HydrophobicContact CG-CZ 3.62Å
247	R	95.8	Very high	94.6	Very high	118 Å²	118	59 Å²	59	45%	0.445	28%	0.282	S	S	.	.	H	α-helix	trans	-69.3	-31	178.4	-68.2	-56	-168.5	168.3	1.5	113.5	M197 Y219 V243 H244 A245 E250 R251	M197-R247 HydrophobicContact CE-CB 4.37Å; M197-R247 HydrophobicContact CE-CG 4.28Å; M197-R247 HydrophobicContact CG-CB 4.23Å; M197-R247 HydrophobicContact SD-CB 3.39Å; M197-R247 WeakPolarHBondContact SD-CB 3.39Å; M197-R247 HydrophobicContact SD-CG 3.81Å; Y219-R247 HydrophobicContact CE2-CB 4.39Å; V243-R247 HydrophobicContact CG1-CG 3.92Å; V243-R247 WeakPolarHBondContact O-CB 3.38Å; V243-R247 WeakPolarHBondContact O-CG 3.36Å; V243-R247 PolarHBondContact O-N 3.49Å; H244-R247 PolarHBondContact O-N 3.38Å; A245-R247 PolarHBondContact O-N 2.8Å; R247-E250 VanDerWaalsContact CD-OE2 3.27Å; R247-E250 WeakPolarHBondContact CD-OE2 3.31Å; R247-E250 IonicContact CZ-OE2 3.87Å; R247-E250 IonicContact NE-OE2 3.96Å; R247-E250 IonicContact NH1-OE2 3.05Å; R247-E250 PolarHBondContact NH1-OE2 2.71Å; R247-R251 VanDerWaalsContact O-CB 3.27Å; R247-R251 WeakPolarHBondContact O-CB 3.3Å
248	L	97.5	Very high	94.8	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-71	-41.9	171.7	-73.1	170.3	0	0	0	110.9	P195 M197 N218 A222 I231 H244 A245 Q246 E250 R251 I252	P195-L248 HydrophobicContact CB-CD1 3.62Å; P195-L248 HydrophobicContact CG-CD1 3.86Å; M197-L248 HydrophobicContact CG-CG 4.13Å; N218-L248 HydrophobicContact CB-CD2 4.33Å; A222-L248 HydrophobicContact CB-CD2 3.85Å; I231-L248 HydrophobicContact CD1-CB 4.2Å; H244-L248 WeakPolarHBondContact O-CB 3.36Å; H244-L248 VanDerWaalsContact O-CG 3.32Å; H244-L248 WeakPolarHBondContact O-CG 3.35Å; H244-L248 PolarHBondContact O-N 2.84Å; A245-L248 PolarHBondContact O-N 2.91Å; Q246-L248 VanDerWaalsContact C-N 3.34Å; Q246-L248 PolarHBondContact O-N 2.99Å; L248-E250 PolarHBondContact O-N 3.37Å; L248-R251 PolarHBondContact O-N 3.18Å; L248-I252 WeakPolarHBondContact O-CG1 3.46Å; L248-I252 PolarHBondContact O-N 2.95Å
249	Y	97.4	Very high	95.3	Very high	76 Å²	76	49.8 Å²	49.8	30%	0.298	24%	0.238	S	C	.	.	H	α-helix	trans	-57	-47.6	174.9	178.6	-98.2	0	0	0	111.8	I231 A245 Q246 R251 T255 L256 P258	I231-Y249 HydrophobicContact CD1-CD2 4.37Å; A245-Y249 WeakPolarHBondContact O-CB 3.16Å; A245-Y249 PolarHBondContact O-N 3.14Å; Q246-Y249 WeakPolarHBondContact O-CB 3.41Å; Q246-Y249 PolarHBondContact O-N 3.2Å; Y249-R251 PolarHBondContact O-N 2.79Å; Y249-T255 HydrophobicContact CD2-CG2 3.65Å; Y249-T255 VanDerWaalsContact CE2-CB 3.43Å; Y249-T255 HydrophobicContact CE2-CG2 3.96Å; Y249-T255 VanDerWaalsContact CE2-OG1 3.31Å; Y249-T255 WeakPolarHBondContact CE2-OG1 3.28Å; Y249-T255 HydrophobicContact CG-CG2 4.33Å; Y249-T255 WeakPolarHBondContact O-CG2 3.5Å; Y249-L256 WeakPolarHBondContact CE2-O 3.17Å; Y249-P258 HydrophobicContact CD2-CB 4.08Å; Y249-P258 HydrophobicContact CD2-CG 3.93Å; Y249-P258 HydrophobicContact CE2-CB 4.23Å; Y249-P258 HydrophobicContact CE2-CG 3.72Å
250	E	96.8	Very high	95.8	Very high	131 Å²	131	46.5 Å²	46.5	61%	0.612	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-21.3	175.8	-72.9	169.4	-174.6	0	0	113.9	Q246 R247 L248	Q246-E250 WeakPolarHBondContact O-CG 3.36Å; Q246-E250 PolarHBondContact O-N 3.17Å; R247-E250 VanDerWaalsContact CD-OE2 3.27Å; R247-E250 WeakPolarHBondContact CD-OE2 3.31Å; R247-E250 IonicContact CZ-OE2 3.87Å; R247-E250 IonicContact NE-OE2 3.96Å; R247-E250 IonicContact NH1-OE2 3.05Å; R247-E250 PolarHBondContact NH1-OE2 2.71Å; L248-E250 PolarHBondContact O-N 3.37Å
251	R	96.1	Very high	96.2	Very high	79 Å²	79	46.4 Å²	46.4	30%	0.298	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.8	-17.5	-166	-164.5	159.2	-165.8	-164.2	2.6	114.2	Y219 A222 P223 R247 L248 Y249	Y219-R251 VanDerWaalsContact CD2-NH1 3.35Å; Y219-R251 VanDerWaalsContact CE2-NH1 3.29Å; Y219-R251 WeakPolarHBondContact O-CD 3.37Å; Y219-R251 PolarHBondContact O-NE 2.87Å; Y219-R251 PolarHBondContact O-NH1 2.8Å; A222-R251 HydrophobicContact CB-CB 4.38Å; A222-R251 HydrophobicContact CB-CG 4.26Å; P223-R251 WeakPolarHBondContact CA-O 3.3Å; P223-R251 HydrophobicContact CG-CG 3.63Å; R247-R251 VanDerWaalsContact O-CB 3.27Å; R247-R251 WeakPolarHBondContact O-CB 3.3Å; L248-R251 PolarHBondContact O-N 3.18Å; Y249-R251 PolarHBondContact O-N 2.79Å
252	I	97.9	Very high	96.4	Very high	6 Å²	6	53 Å²	53	3%	0.031	24%	0.239	C	C	.	.			trans	-84.9	123.6	175.3	-66.7	170.4	0	0	0	108	L192 A222 I225 T229 I231 L248 N254 T255	L192-I252 HydrophobicContact CD1-CD1 3.82Å; A222-I252 HydrophobicContact CB-CG1 3.82Å; I225-I252 HydrophobicContact CB-CG2 4.18Å; I225-I252 HydrophobicContact CD1-CD1 4.01Å; I225-I252 HydrophobicContact CD1-CG1 4.17Å; I225-I252 HydrophobicContact CG2-CG2 4.26Å; T229-I252 HydrophobicContact CG2-CD1 3.87Å; I231-I252 HydrophobicContact CD1-CD1 4.33Å; L248-I252 WeakPolarHBondContact O-CG1 3.46Å; L248-I252 PolarHBondContact O-N 2.95Å; I252-N254 VanDerWaalsContact C-N 3.33Å; I252-N254 PolarHBondContact O-N 2.79Å; I252-T255 HydrophobicContact CB-CG2 3.64Å; I252-T255 HydrophobicContact CG2-CG2 3.83Å; I252-T255 WeakPolarHBondContact O-CG2 3.46Å
253	P	95.5	Very high	96.4	Very high	72 Å²	72	49.9 Å²	49.9	47%	0.468	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-35.7	-176.4	-26.3	33.5	0	0	0	114.8	P223 I225	P223-P253 WeakPolarHBondContact O-CG 3.35Å; I225-P253 WeakPolarHBondContact O-CD 3.34Å
254	N	94.3	Very high	96.6	Very high	60 Å²	60	47.1 Å²	47.1	32%	0.321	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.9	60.3	-172.6	-169	16.4	0	0	0	111.9	I226 P228 T229 I252	I226-N254 PolarHBondContact O-ND2 3.42Å; P228-N254 WeakPolarHBondContact CA-O 3.35Å; T229-N254 PolarHBondContact N-O 2.87Å; I252-N254 VanDerWaalsContact C-N 3.33Å; I252-N254 PolarHBondContact O-N 2.79Å
255	T	97	Very high	96.3	Very high	37 Å²	37	47.5 Å²	47.5	23%	0.227	22%	0.223	C	C	.	.	B	Isolated β-bridge	trans	-80.3	138	175.5	53	0	0	0	0	112.2	T229 Y249 I252	T229-T255 CarbonylContact O-C 3.54Å; T229-T255 WeakPolarHBondContact O-CA 3.15Å; Y249-T255 HydrophobicContact CD2-CG2 3.65Å; Y249-T255 VanDerWaalsContact CE2-CB 3.43Å; Y249-T255 HydrophobicContact CE2-CG2 3.96Å; Y249-T255 VanDerWaalsContact CE2-OG1 3.31Å; Y249-T255 WeakPolarHBondContact CE2-OG1 3.28Å; Y249-T255 HydrophobicContact CG-CG2 4.33Å; Y249-T255 WeakPolarHBondContact O-CG2 3.5Å; I252-T255 HydrophobicContact CB-CG2 3.64Å; I252-T255 HydrophobicContact CG2-CG2 3.83Å; I252-T255 WeakPolarHBondContact O-CG2 3.46Å
256	L	96.9	Very high	96.1	Very high	27 Å²	27	48.2 Å²	48.2	14%	0.141	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-81.4	170.5	163.6	-62	171.2	0	0	0	110	P228 T229 L230 Y249 P258 L282	P228-L256 HydrophobicContact CB-CD1 3.85Å; P228-L256 HydrophobicContact CB-CD2 4.02Å; P228-L256 HydrophobicContact CB-CG 3.93Å; T229-L256 PolarHBondContact O-N 2.79Å; L230-L256 HydrophobicContact CB-CD1 4.31Å; Y249-L256 WeakPolarHBondContact CE2-O 3.17Å; L256-P258 WeakPolarHBondContact O-CD 3.27Å; L256-L282 HydrophobicContact CD1-CD1 3.31Å
257	E	94.4	Very high	95.9	Very high	34 Å²	34	48.3 Å²	48.3	16%	0.159	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-60.7	120.1	176.5	-165.2	-176.2	143.1	0	0	110.9	L230 R278 F308 S309 L312	L230-E257 VanDerWaalsContact CD1-O 3.22Å; L230-E257 WeakPolarHBondContact CD1-O 3.44Å; E257-R278 PolarHBondContact O-NE 3.31Å; E257-R278 PolarHBondContact O-NH2 2.96Å; E257-F308 WeakPolarHBondContact OE1-CA 3.21Å; E257-F308 VanDerWaalsContact OE1-CD1 3.27Å; E257-F308 WeakPolarHBondContact OE1-CD1 3.44Å; E257-S309 VanDerWaalsContact CD-N 3.29Å; E257-S309 PolarHBondContact OE1-N 2.84Å; E257-S309 WeakPolarHBondContact OE2-CA 3.17Å; E257-S309 WeakPolarHBondContact OE2-CB 3.31Å; E257-S309 PolarHBondContact OE2-N 2.77Å; E257-S309 PolarHBondContact OE2-OG 3.41Å; E257-L312 HydrophobicContact CB-CD2 4.49Å; E257-L312 HydrophobicContact CG-CD2 4.41Å; E257-L312 WeakPolarHBondContact OE1-CD2 3.36Å
258	P	97.6	Very high	95.8	Very high	5 Å²	5	44.9 Å²	44.9	3%	0.032	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-78.5	157.7	-173.6	33.8	-34.7	0	0	0	111	I231 Y249 L256 F260 I306	I231-P258 HydrophobicContact CB-CB 4.4Å; I231-P258 CarbonylContact O-C 3.58Å; I231-P258 WeakPolarHBondContact O-CA 3.49Å; Y249-P258 HydrophobicContact CD2-CB 4.08Å; Y249-P258 HydrophobicContact CD2-CG 3.93Å; Y249-P258 HydrophobicContact CE2-CB 4.23Å; Y249-P258 HydrophobicContact CE2-CG 3.72Å; L256-P258 WeakPolarHBondContact O-CD 3.27Å; P258-F260 HydrophobicContact CB-CD2 4.31Å; P258-F260 HydrophobicContact CB-CE2 3.93Å; P258-F260 HydrophobicContact CG-CD2 4.41Å; P258-F260 HydrophobicContact CG-CE2 4.04Å; P258-I306 HydrophobicContact CG-CD1 4.43Å
259	L	97.9	Very high	95.6	Very high	2 Å²	2	44.9 Å²	44.9	1%	0.01	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	110.8	173.6	175.6	65.8	0	0	0	110.2	I231 I232 H233 I261 E274 R278 F308	I231-L259 PolarHBondContact O-N 3.19Å; I232-L259 CarbonylContact C-O 3.57Å; I232-L259 VanDerWaalsContact CA-O 3.28Å; I232-L259 WeakPolarHBondContact CA-O 3.43Å; I232-L259 HydrophobicContact CG1-CB 4.27Å; I232-L259 HydrophobicContact CG2-CB 4.31Å; I232-L259 HydrophobicContact CG2-CD2 3.98Å; I232-L259 HydrophobicContact CG2-CG 4.28Å; H233-L259 PolarHBondContact N-O 2.53Å; L259-I261 HydrophobicContact CD1-CG1 4.18Å; L259-I261 HydrophobicContact CD2-CD1 3.86Å; L259-I261 HydrophobicContact CD2-CG1 3.79Å; L259-I261 HydrophobicContact CG-CD1 4.3Å; L259-I261 HydrophobicContact CG-CG1 3.67Å; L259-E274 HydrophobicContact CD1-CB 4.13Å; L259-E274 HydrophobicContact CD2-CB 4.38Å; L259-E274 WeakPolarHBondContact CD2-O 3.16Å; L259-R278 HydrophobicContact CB-CB 4.46Å; L259-R278 HydrophobicContact CB-CG 4.03Å; L259-R278 HydrophobicContact CD2-CB 3.73Å; L259-R278 HydrophobicContact CD2-CG 4.17Å; L259-F308 HydrophobicContact CD1-CE1 4.12Å; L259-F308 HydrophobicContact CD1-CZ 4.06Å
260	F	97.9	Very high	95.4	Very high	35 Å²	35	42.3 Å²	42.3	15%	0.154	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	108.5	168.4	-71.7	-90.1	0	0	0	109.5	H233 T235 R242 A245 Q246 P258 R262 I306	H233-F260 HydrophobicContact CB-CD1 3.98Å; H233-F260 HydrophobicContact CB-CE1 3.93Å; H233-F260 CarbonylContact O-C 3.57Å; H233-F260 VanDerWaalsContact O-CA 3.25Å; H233-F260 WeakPolarHBondContact O-CA 3.35Å; T235-F260 HydrophobicContact CG2-CB 4.12Å; R242-F260 HydrophobicContact CB-CD1 4.47Å; R242-F260 HydrophobicContact CB-CE1 4.25Å; A245-F260 HydrophobicContact CB-CE1 3.86Å; A245-F260 HydrophobicContact CB-CZ 3.95Å; Q246-F260 HydrophobicContact CG-CE1 3.97Å; Q246-F260 HydrophobicContact CG-CZ 3.62Å; P258-F260 HydrophobicContact CB-CD2 4.31Å; P258-F260 HydrophobicContact CB-CE2 3.93Å; P258-F260 HydrophobicContact CG-CD2 4.41Å; P258-F260 HydrophobicContact CG-CE2 4.04Å; F260-R262 PolarHBondContact O-N 3.22Å; F260-I306 HydrophobicContact CD2-CD1 3.27Å; F260-I306 HydrophobicContact CE2-CD1 3.48Å; F260-I306 VanDerWaalsContact CE2-CD1 3.48Å; F260-I306 HydrophobicContact CG-CD1 4.25Å
261	I	97.3	Very high	95.2	Very high	4 Å²	4	39.2 Å²	39.2	2%	0.021	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	113	-172.7	-53.5	-178.3	0	0	0	109.2	I232 H233 T235 L259 G263 A264 C269 Y272 Y275	I232-I261 HydrophobicContact CG2-CD1 4.09Å; I232-I261 HydrophobicContact CG2-CG1 4.48Å; H233-I261 PolarHBondContact O-N 3.01Å; T235-I261 PolarHBondContact N-O 3.11Å; T235-I261 PolarHBondContact OG1-O 2.89Å; L259-I261 HydrophobicContact CD1-CG1 4.18Å; L259-I261 HydrophobicContact CD2-CD1 3.86Å; L259-I261 HydrophobicContact CD2-CG1 3.79Å; L259-I261 HydrophobicContact CG-CD1 4.3Å; L259-I261 HydrophobicContact CG-CG1 3.67Å; I261-G263 PolarHBondContact O-N 2.95Å; I261-A264 HydrophobicContact CB-CB 3.8Å; I261-A264 HydrophobicContact CG2-CB 3.65Å; I261-A264 PolarHBondContact O-N 3.04Å; I261-C269 HydrophobicContact CD1-CB 3.81Å; I261-C269 WeakPolarHBondContact CD1-O 3.28Å; I261-Y272 HydrophobicContact CG2-CD1 3.55Å; I261-Y272 HydrophobicContact CG2-CD2 3.92Å; I261-Y272 HydrophobicContact CG2-CE1 4.16Å; I261-Y272 HydrophobicContact CG2-CG 3.43Å; I261-Y272 VanDerWaalsContact CG2-CG 3.43Å; I261-Y275 HydrophobicContact CD1-CD2 4.36Å
262	R	96.7	Very high	95.1	Very high	217 Å²	217	38.8 Å²	38.8	82%	0.819	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.9	125.2	-178.7	-68.8	-176.1	115.8	-113	1.9	110.5	T235 F260 A264	T235-R262 HydrophobicContact CG2-CG 4.32Å; T235-R262 WeakPolarHBondContact OG1-CA 3.49Å; F260-R262 PolarHBondContact O-N 3.22Å; R262-A264 VanDerWaalsContact C-N 3.3Å; R262-A264 PolarHBondContact O-N 3.09Å
263	G	94.9	Very high	94.9	Very high	23 Å²	23	40.2 Å²	40.2	24%	0.237	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	86	-10.3	178.9	0	0	0	0	0	115.2	T235 I261 Y272	T235-G263 PolarHBondContact OG1-N 3.36Å; I261-G263 PolarHBondContact O-N 2.95Å; G263-Y272 PolarHBondContact O-OH 2.91Å
264	A	96.2	Very high	94.9	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.193	C	C	.	.			trans	-78.1	141.8	174.7	0	0	0	0	0	110.7	G234 T235 E236 I261 R262 Y272	G234-A264 CarbonylContact C-O 3.59Å; G234-A264 WeakPolarHBondContact CA-O 3.03Å; T235-A264 PolarHBondContact N-O 3.47Å; E236-A264 CarbonylContact C-O 3.48Å; E236-A264 WeakPolarHBondContact CA-O 3.39Å; E236-A264 PolarHBondContact N-O 3.04Å; I261-A264 HydrophobicContact CB-CB 3.8Å; I261-A264 HydrophobicContact CG2-CB 3.65Å; I261-A264 PolarHBondContact O-N 3.04Å; R262-A264 VanDerWaalsContact C-N 3.3Å; R262-A264 PolarHBondContact O-N 3.09Å; A264-Y272 HydrophobicContact CB-CD2 3.79Å; A264-Y272 HydrophobicContact CB-CE2 3.44Å; A264-Y272 VanDerWaalsContact CB-CE2 3.44Å; A264-Y272 PolarHBondContact N-OH 3.43Å
265	G	91.5	Very high	95	Very high	13 Å²	13	37 Å²	37	13%	0.134	18%	0.179	C	C	.	.			trans	-91.6	-152.1	167.4	0	0	0	0	0	113.4	D268	G265-D268 VanDerWaalsContact C-OD1 3.25Å; G265-D268 VanDerWaalsContact CA-OD1 3.3Å; G265-D268 WeakPolarHBondContact CA-OD1 3.38Å; G265-D268 PolarHBondContact N-OD1 3.15Å; G265-D268 PolarHBondContact N-OD2 3.21Å
266	H	92.4	Very high	94.9	Very high	15 Å²	15	36.5 Å²	36.5	7%	0.069	18%	0.175	C	C	.	.	S	Bend	trans	-74.8	-37.5	-171.5	-165.5	58	0	0	0	114.6	S172 D237 I239 I240	S172-H266 VanDerWaalsContact CB-NE2 3.31Å; S172-H266 WeakPolarHBondContact CB-NE2 3.17Å; S172-H266 PolarHBondContact OG-CE1 3.09Å; S172-H266 PolarHBondContact OG-NE2 2.96Å; D237-H266 VanDerWaalsContact CG-ND1 3.31Å; D237-H266 VanDerWaalsContact OD1-CB 3.24Å; D237-H266 WeakPolarHBondContact OD1-CB 3.41Å; D237-H266 IonicContact OD1-CG 3.71Å; D237-H266 IonicContact OD1-ND1 3.63Å; D237-H266 PolarHBondContact OD1-ND1 2.86Å; D237-H266 VanDerWaalsContact OD1-ND1 3.17Å; D237-H266 IonicContact OD2-CE1 3.61Å; D237-H266 IonicContact OD2-CG 3.92Å; D237-H266 IonicContact OD2-ND1 2.88Å; D237-H266 PolarHBondContact OD2-ND1 3.11Å; I239-H266 HydrophobicContact CB-CB 3.98Å; I239-H266 HydrophobicContact CG1-CB 3.74Å; I240-H266 VanDerWaalsContact CD1-CE1 3.45Å; I240-H266 WeakPolarHBondContact CD1-CE1 3.21Å
267	N	91.9	Very high	94.9	Very high	60 Å²	60	35.8 Å²	35.8	32%	0.321	17%	0.171	S	C	.	.	S	Bend	trans	-125.4	25.1	-165.7	-63.5	-48.6	0	0	0	112.4
268	D	93.2	Very high	95.1	Very high	47 Å²	47	34.2 Å²	34.2	25%	0.251	16%	0.164	S	C	.	.			trans	-140	6.1	-175.9	63.8	-0.2	0	0	0	113.3	G265 E270 L271 Y272	G265-D268 VanDerWaalsContact C-OD1 3.25Å; G265-D268 VanDerWaalsContact CA-OD1 3.3Å; G265-D268 WeakPolarHBondContact CA-OD1 3.38Å; G265-D268 PolarHBondContact N-OD1 3.15Å; G265-D268 PolarHBondContact N-OD2 3.21Å; D268-E270 PolarHBondContact O-N 3.28Å; D268-L271 HydrophobicContact CB-CD1 3.7Å; D268-L271 HydrophobicContact CB-CG 4.02Å; D268-L271 VanDerWaalsContact O-CB 3.3Å; D268-L271 WeakPolarHBondContact O-CB 3.32Å; D268-L271 WeakPolarHBondContact O-CG 3.48Å; D268-L271 PolarHBondContact O-N 3.08Å; D268-Y272 VanDerWaalsContact O-CD2 3.26Å; D268-Y272 WeakPolarHBondContact O-CD2 3.45Å
269	C	94.1	Very high	95.1	Very high	0 Å²	0	34 Å²	34	0%	0	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-55.6	-38.9	177.4	-78.7	0	0	0	0	111.6	H193 G234 I261 L271 Y272 Y275	H193-C269 VanDerWaalsContact NE2-CB 3.27Å; H193-C269 WeakPolarHBondContact NE2-CB 3.49Å; G234-C269 PolarHBondContact N-SG 3.25Å; G234-C269 VanDerWaalsContact N-SG 3.35Å; I261-C269 HydrophobicContact CD1-CB 3.81Å; I261-C269 WeakPolarHBondContact CD1-O 3.28Å; C269-L271 PolarHBondContact O-N 3.4Å; C269-Y272 PolarHBondContact O-N 3.33Å; C269-Y272 VanDerWaalsContact O-N 3.16Å; C269-Y275 HydrophobicContact CB-CD2 4.18Å; C269-Y275 VanDerWaalsContact O-CB 3.26Å; C269-Y275 WeakPolarHBondContact O-CB 3.26Å
270	E	93.2	Very high	94.9	Very high	22 Å²	22	35.7 Å²	35.7	10%	0.103	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-65.9	-13.6	177.6	66.1	-89.4	-153.1	0	0	114.6	F112 H193 D268 Y272 Y275 Y382	F112-E270 HydrophobicContact CE2-CB 4.36Å; H193-E270 IonicContact CE1-OE2 3.75Å; D268-E270 PolarHBondContact O-N 3.28Å; E270-Y272 VanDerWaalsContact C-N 3.27Å; E270-Y275 HydrophobicContact CB-CD1 4.08Å; E270-Y275 HydrophobicContact CB-CE1 4.06Å; E270-Y275 HydrophobicContact CB-CG 4.41Å; E270-Y382 HydrophobicContact CG-CD1 4.49Å
271	L	92	Very high	94.9	Very high	65 Å²	65	35.1 Å²	35.1	34%	0.34	17%	0.167	S	C	.	.	G	3₁₀ helix	trans	-79.2	-14	175.5	-46.1	-175.5	0	0	0	112.2	D268 C269 R383	D268-L271 HydrophobicContact CB-CD1 3.7Å; D268-L271 HydrophobicContact CB-CG 4.02Å; D268-L271 VanDerWaalsContact O-CB 3.3Å; D268-L271 WeakPolarHBondContact O-CB 3.32Å; D268-L271 WeakPolarHBondContact O-CG 3.48Å; D268-L271 PolarHBondContact O-N 3.08Å; C269-L271 PolarHBondContact O-N 3.4Å; L271-R383 WeakPolarHBondContact CD2-O 3.44Å
272	Y	94.4	Very high	94.8	Very high	70 Å²	70	34.9 Å²	34.9	28%	0.275	17%	0.166	S	C	.	.	S	Bend	trans	-93.1	135.7	-179.5	-68.2	-104.3	0	0	0	110.4	I261 G263 A264 D268 C269 E270 E274 Y275	I261-Y272 HydrophobicContact CG2-CD1 3.55Å; I261-Y272 HydrophobicContact CG2-CD2 3.92Å; I261-Y272 HydrophobicContact CG2-CE1 4.16Å; I261-Y272 HydrophobicContact CG2-CG 3.43Å; I261-Y272 VanDerWaalsContact CG2-CG 3.43Å; G263-Y272 PolarHBondContact O-OH 2.91Å; A264-Y272 HydrophobicContact CB-CD2 3.79Å; A264-Y272 HydrophobicContact CB-CE2 3.44Å; A264-Y272 VanDerWaalsContact CB-CE2 3.44Å; A264-Y272 PolarHBondContact N-OH 3.43Å; D268-Y272 VanDerWaalsContact O-CD2 3.26Å; D268-Y272 WeakPolarHBondContact O-CD2 3.45Å; C269-Y272 PolarHBondContact O-N 3.33Å; C269-Y272 VanDerWaalsContact O-N 3.16Å; E270-Y272 VanDerWaalsContact C-N 3.27Å; Y272-E274 PolarHBondContact O-N 3.31Å; Y272-E274 VanDerWaalsContact O-N 3.14Å; Y272-Y275 VanDerWaalsContact O-CB 3.3Å; Y272-Y275 WeakPolarHBondContact O-CB 3.25Å; Y272-Y275 PolarHBondContact O-N 3.41Å; Y272-Y275 VanDerWaalsContact O-N 3.12Å
273	E	94.1	Very high	94.8	Very high	36 Å²	36	24.8 Å²	24.8	17%	0.168	13%	0.128	C	C	.	.	H	α-helix	trans	-58.9	-30.8	-178.3	64.3	179	-169.7	0	0	112.1	Y275 L276 I277 R320	E273-Y275 PolarHBondContact O-N 3.23Å; E273-L276 PolarHBondContact O-N 2.68Å; E273-I277 HydrophobicContact CB-CD1 4.45Å; E273-I277 HydrophobicContact CG-CD1 4.4Å; E273-I277 WeakPolarHBondContact O-CG1 3.49Å; E273-I277 PolarHBondContact O-N 3.15Å; E273-I277 VanDerWaalsContact O-N 3.11Å; E273-R320 IonicContact OE1-CZ 3.91Å; E273-R320 IonicContact OE1-NH1 3.66Å
274	E	94.5	Very high	94.7	Very high	58 Å²	58	27.5 Å²	27.5	27%	0.271	14%	0.135	S	C	.	.	H	α-helix	trans	-63.1	-29.8	-178.6	-60.5	92.3	149.7	0	0	113.4	L259 Y272 R278 F316	L259-E274 HydrophobicContact CD1-CB 4.13Å; L259-E274 HydrophobicContact CD2-CB 4.38Å; L259-E274 WeakPolarHBondContact CD2-O 3.16Å; Y272-E274 PolarHBondContact O-N 3.31Å; Y272-E274 VanDerWaalsContact O-N 3.14Å; E274-R278 WeakPolarHBondContact O-CB 3.26Å; E274-R278 PolarHBondContact O-N 2.74Å; E274-F316 HydrophobicContact CB-CE1 3.75Å; E274-F316 HydrophobicContact CB-CZ 4.11Å; E274-F316 HydrophobicContact CG-CE1 3.73Å; E274-F316 HydrophobicContact CG-CZ 4.42Å
275	Y	96.5	Very high	94.5	Very high	7 Å²	7	29.6 Å²	29.6	3%	0.027	15%	0.148	C	C	.	.	H	α-helix	trans	-60.3	-51.7	175.9	176.9	-87.8	0	0	0	111.2	Y169 H193 I232 I261 C269 E270 Y272 E273 L279	Y169-Y275 WeakPolarHBondContact CE2-OH 3.38Å; Y169-Y275 PolarHBondContact OH-OH 3.04Å; H193-Y275 AromaticContact CE1-CE2 3.93Å; H193-Y275 AromaticContact ND1-CE2 3.93Å; I232-Y275 HydrophobicContact CD1-CD2 4.1Å; I232-Y275 HydrophobicContact CD1-CE2 3.91Å; I232-Y275 HydrophobicContact CG2-CD2 3.92Å; I232-Y275 HydrophobicContact CG2-CE2 4.26Å; I261-Y275 HydrophobicContact CD1-CD2 4.36Å; C269-Y275 HydrophobicContact CB-CD2 4.18Å; C269-Y275 VanDerWaalsContact O-CB 3.26Å; C269-Y275 WeakPolarHBondContact O-CB 3.26Å; E270-Y275 HydrophobicContact CB-CD1 4.08Å; E270-Y275 HydrophobicContact CB-CE1 4.06Å; E270-Y275 HydrophobicContact CB-CG 4.41Å; Y272-Y275 VanDerWaalsContact O-CB 3.3Å; Y272-Y275 WeakPolarHBondContact O-CB 3.25Å; Y272-Y275 PolarHBondContact O-N 3.41Å; Y272-Y275 VanDerWaalsContact O-N 3.12Å; E273-Y275 PolarHBondContact O-N 3.23Å; Y275-L279 HydrophobicContact CD1-CD1 3.98Å; Y275-L279 HydrophobicContact CE1-CD1 3.34Å; Y275-L279 HydrophobicContact CE2-CD1 4.34Å; Y275-L279 WeakPolarHBondContact O-CG 3.34Å; Y275-L279 PolarHBondContact O-N 3.22Å
276	L	96.3	Very high	94.7	Very high	26 Å²	26	31 Å²	31	14%	0.136	15%	0.15	C	C	.	.	H	α-helix	trans	-67.8	-46.7	-179.2	-177.3	65.1	0	0	0	110.9	K119 L120 E273 R278 L279 E280	K119-L276 HydrophobicContact CB-CD1 3.84Å; K119-L276 HydrophobicContact CB-CD2 4.26Å; K119-L276 HydrophobicContact CD-CD1 4.23Å; K119-L276 HydrophobicContact CD-CD2 3.83Å; K119-L276 HydrophobicContact CG-CD2 4.38Å; L120-L276 HydrophobicContact CD2-CD1 3.83Å; L120-L276 HydrophobicContact CG-CD1 4.28Å; E273-L276 PolarHBondContact O-N 2.68Å; L276-R278 VanDerWaalsContact C-N 3.25Å; L276-R278 PolarHBondContact O-N 2.61Å; L276-L279 PolarHBondContact O-N 3.23Å; L276-E280 HydrophobicContact CD1-CG 4.44Å; L276-E280 HydrophobicContact CG-CG 4.27Å; L276-E280 WeakPolarHBondContact O-CG 3.44Å; L276-E280 PolarHBondContact O-N 3.28Å
277	I	96.2	Very high	94.7	Very high	13 Å²	13	32 Å²	32	7%	0.067	16%	0.158	C	C	.	.	H	α-helix	trans	-56.7	-41.4	-179.6	-66.8	168.8	0	0	0	111.2	E273 E280 Y281 Y315 F316 N319	E273-I277 HydrophobicContact CB-CD1 4.45Å; E273-I277 HydrophobicContact CG-CD1 4.4Å; E273-I277 WeakPolarHBondContact O-CG1 3.49Å; E273-I277 PolarHBondContact O-N 3.15Å; E273-I277 VanDerWaalsContact O-N 3.11Å; I277-E280 PolarHBondContact O-N 3.14Å; I277-Y281 PolarHBondContact O-N 3.18Å; I277-Y315 HydrophobicContact CG2-CD1 3.66Å; I277-Y315 HydrophobicContact CG2-CE1 3.83Å; I277-Y315 WeakPolarHBondContact O-CE1 3.49Å; I277-F316 HydrophobicContact CB-CD1 4.09Å; I277-F316 HydrophobicContact CB-CE1 3.77Å; I277-F316 HydrophobicContact CB-CZ 4.23Å; I277-F316 HydrophobicContact CD1-CD1 3.87Å; I277-F316 HydrophobicContact CD1-CE1 4.06Å; I277-F316 HydrophobicContact CG2-CD1 3.49Å; I277-F316 VanDerWaalsContact CG2-CD1 3.49Å; I277-F316 HydrophobicContact CG2-CD2 4.15Å; I277-F316 HydrophobicContact CG2-CE1 3.56Å; I277-F316 HydrophobicContact CG2-CE2 4.21Å; I277-F316 HydrophobicContact CG2-CG 3.79Å; I277-F316 HydrophobicContact CG2-CZ 3.91Å; I277-N319 HydrophobicContact CD1-CB 4.26Å; I277-N319 HydrophobicContact CG1-CB 4.19Å
278	R	97.4	Very high	94.2	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-66.8	-38.6	178.3	179.7	65.6	-169.3	89.9	-13.2	112.3	L230 E257 L259 E274 L276 Y281 L282 E286	L230-R278 HydrophobicContact CD1-CG 4.01Å; L230-R278 HydrophobicContact CD2-CG 3.84Å; E257-R278 PolarHBondContact O-NE 3.31Å; E257-R278 PolarHBondContact O-NH2 2.96Å; L259-R278 HydrophobicContact CB-CB 4.46Å; L259-R278 HydrophobicContact CB-CG 4.03Å; L259-R278 HydrophobicContact CD2-CB 3.73Å; L259-R278 HydrophobicContact CD2-CG 4.17Å; E274-R278 WeakPolarHBondContact O-CB 3.26Å; E274-R278 PolarHBondContact O-N 2.74Å; L276-R278 VanDerWaalsContact C-N 3.25Å; L276-R278 PolarHBondContact O-N 2.61Å; R278-Y281 PolarHBondContact O-N 2.94Å; R278-L282 PolarHBondContact O-N 2.77Å; R278-E286 IonicContact CZ-OE1 2.73Å; R278-E286 IonicContact CZ-OE2 3.74Å; R278-E286 VanDerWaalsContact CZ-OE2 3.28Å; R278-E286 IonicContact NH1-OE1 3.37Å; R278-E286 IonicContact NH1-OE2 3.2Å; R278-E286 PolarHBondContact NH1-OE2 2.97Å; R278-E286 IonicContact NH2-OE1 2.92Å; R278-E286 PolarHBondContact NH2-OE1 3.02Å; R278-E286 IonicContact NH2-OE2 3.64Å; R278-E286 PolarHBondContact NH2-OE2 3.25Å
279	L	97.7	Very high	93.2	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-70.5	-37.2	176.9	-70.5	176	0	0	0	112.1	L116 L120 V191 L230 I232 Y275 L276 Y281 L282 V283	L116-L279 HydrophobicContact CD1-CD1 3.88Å; L120-L279 HydrophobicContact CD1-CB 3.88Å; L120-L279 HydrophobicContact CD1-CD1 4.36Å; L120-L279 HydrophobicContact CD2-CB 3.99Å; V191-L279 HydrophobicContact CG1-CD2 4.12Å; V191-L279 HydrophobicContact CG2-CD2 4.11Å; L230-L279 HydrophobicContact CD2-CD2 4.01Å; I232-L279 HydrophobicContact CD1-CD2 3.98Å; I232-L279 HydrophobicContact CD1-CG 4.19Å; Y275-L279 HydrophobicContact CD1-CD1 3.98Å; Y275-L279 HydrophobicContact CE1-CD1 3.34Å; Y275-L279 HydrophobicContact CE2-CD1 4.34Å; Y275-L279 WeakPolarHBondContact O-CG 3.34Å; Y275-L279 PolarHBondContact O-N 3.22Å; L276-L279 PolarHBondContact O-N 3.23Å; L279-Y281 VanDerWaalsContact C-N 3.31Å; L279-Y281 PolarHBondContact O-N 2.64Å; L279-L282 HydrophobicContact CD2-CD2 4.31Å; L279-L282 WeakPolarHBondContact O-CB 3.44Å; L279-L282 PolarHBondContact O-N 2.93Å; L279-V283 WeakPolarHBondContact O-CG2 3.46Å; L279-V283 PolarHBondContact O-N 2.72Å
280	E	95.7	Very high	91.2	Very high	38 Å²	38	38.5 Å²	38.5	18%	0.178	21%	0.205	C	C	.	.	H	α-helix	trans	-61.2	-42.4	172.2	-66.4	174.6	147	0	0	110.9	L120 L276 I277 L282 V283 H284 Y315 N319	L120-E280 HydrophobicContact CD2-CB 4.2Å; L120-E280 HydrophobicContact CD2-CG 3.54Å; L276-E280 HydrophobicContact CD1-CG 4.44Å; L276-E280 HydrophobicContact CG-CG 4.27Å; L276-E280 WeakPolarHBondContact O-CG 3.44Å; L276-E280 PolarHBondContact O-N 3.28Å; I277-E280 PolarHBondContact O-N 3.14Å; E280-L282 PolarHBondContact O-N 2.93Å; E280-V283 PolarHBondContact O-N 3.38Å; E280-H284 WeakPolarHBondContact O-CB 3.33Å; E280-H284 PolarHBondContact O-CD2 2.97Å; E280-H284 VanDerWaalsContact O-CD2 3.26Å; E280-H284 PolarHBondContact O-N 3.48Å; E280-Y315 HydrophobicContact CB-CE1 4.01Å; E280-Y315 WeakPolarHBondContact CB-OH 3.43Å; E280-Y315 PolarHBondContact OE2-OH 2.98Å; E280-N319 PolarHBondContact OE2-ND2 2.97Å
281	Y	95.8	Very high	89	Confident	23 Å²	23	39.6 Å²	39.6	9%	0.09	22%	0.222	C	C	.	.	H	α-helix	trans	-62.4	-42.2	174.8	-169.4	-95.4	0	0	0	112	I277 R278 L279 V285 E286 L312 Y315	I277-Y281 PolarHBondContact O-N 3.18Å; R278-Y281 PolarHBondContact O-N 2.94Å; L279-Y281 VanDerWaalsContact C-N 3.31Å; L279-Y281 PolarHBondContact O-N 2.64Å; Y281-V285 HydrophobicContact CD1-CB 4.45Å; Y281-V285 HydrophobicContact CD2-CB 4Å; Y281-V285 HydrophobicContact CD2-CG1 4.38Å; Y281-V285 HydrophobicContact CD2-CG2 3.72Å; Y281-V285 HydrophobicContact CE1-CB 4.41Å; Y281-V285 HydrophobicContact CE1-CG1 4.34Å; Y281-V285 HydrophobicContact CE2-CB 3.97Å; Y281-V285 HydrophobicContact CE2-CG1 3.83Å; Y281-V285 HydrophobicContact CE2-CG2 3.92Å; Y281-V285 HydrophobicContact CG-CB 4.26Å; Y281-V285 HydrophobicContact CG-CG2 4.3Å; Y281-V285 WeakPolarHBondContact O-CA 3.42Å; Y281-V285 VanDerWaalsContact O-CB 3.24Å; Y281-V285 WeakPolarHBondContact O-CB 3.45Å; Y281-V285 PolarHBondContact O-N 2.97Å; Y281-E286 HydrophobicContact CD1-CG 3.78Å; Y281-E286 HydrophobicContact CE1-CG 3.66Å; Y281-E286 PolarHBondContact O-N 3.01Å; Y281-E286 VanDerWaalsContact O-N 3.11Å; Y281-L312 HydrophobicContact CD1-CD1 3.9Å; Y281-L312 HydrophobicContact CD2-CD1 3.94Å; Y281-L312 HydrophobicContact CE1-CB 4.39Å; Y281-L312 HydrophobicContact CE1-CD1 4.43Å; Y281-L312 HydrophobicContact CE2-CD1 4.46Å; Y281-L312 HydrophobicContact CG-CD1 3.61Å; Y281-Y315 AromaticContact CD2-CD1 3.9Å; Y281-Y315 HydrophobicContact CD2-CD1 3.9Å; Y281-Y315 AromaticContact CD2-CD2 3.85Å; Y281-Y315 HydrophobicContact CD2-CD2 3.85Å; Y281-Y315 AromaticContact CD2-CG 3.52Å; Y281-Y315 HydrophobicContact CD2-CG 3.52Å; Y281-Y315 HydrophobicContact CE2-CG 4.26Å; Y281-Y315 HydrophobicContact CG-CD1 4.42Å; Y281-Y315 HydrophobicContact CG-CG 4.45Å
282	L	96.3	Very high	86.6	Confident	0 Å²	0	41 Å²	41	0%	0	23%	0.234	C	C	.	.	I	π-helix	trans	-56.4	-54.7	174	174.3	69.7	0	0	0	110.9	A189 V191 L230 L256 R278 L279 E280 E286 V287	A189-L282 HydrophobicContact CB-CD1 3.96Å; A189-L282 HydrophobicContact CB-CD2 4.48Å; V191-L282 HydrophobicContact CG2-CD2 3.43Å; V191-L282 VanDerWaalsContact CG2-CD2 3.43Å; L230-L282 HydrophobicContact CD2-CB 4.39Å; L230-L282 HydrophobicContact CD2-CD2 4.01Å; L256-L282 HydrophobicContact CD1-CD1 3.31Å; R278-L282 PolarHBondContact O-N 2.77Å; L279-L282 HydrophobicContact CD2-CD2 4.31Å; L279-L282 WeakPolarHBondContact O-CB 3.44Å; L279-L282 PolarHBondContact O-N 2.93Å; E280-L282 PolarHBondContact O-N 2.93Å; L282-E286 VanDerWaalsContact CA-OE2 3.31Å; L282-E286 WeakPolarHBondContact CA-OE2 3.46Å; L282-E286 HydrophobicContact CD1-CB 4.3Å; L282-E286 WeakPolarHBondContact CD1-OE2 3.36Å; L282-E286 PolarHBondContact O-N 3.3Å; L282-V287 HydrophobicContact CD1-CG2 3.93Å; L282-V287 HydrophobicContact CG-CG2 4.21Å; L282-V287 WeakPolarHBondContact O-CB 3.33Å; L282-V287 WeakPolarHBondContact O-CG2 3.18Å; L282-V287 PolarHBondContact O-N 3.19Å
283	V	95.6	Very high	83.6	Confident	5 Å²	5	42.6 Å²	42.6	3%	0.03	25%	0.253	C	S	.	.	I	π-helix	trans	-65.8	-51.6	-173.9	169.9	0	0	0	0	111.3	L94 F96 L120 V122 L279 E280 D288	L94-V283 HydrophobicContact CD1-CG1 4.06Å; L94-V283 HydrophobicContact CD1-CG2 4.47Å; F96-V283 HydrophobicContact CE1-CG2 3.85Å; F96-V283 HydrophobicContact CZ-CG2 3.58Å; L120-V283 HydrophobicContact CD1-CG2 4.34Å; V122-V283 HydrophobicContact CG1-CG1 3.83Å; V122-V283 HydrophobicContact CG1-CG2 4.16Å; L279-V283 WeakPolarHBondContact O-CG2 3.46Å; L279-V283 PolarHBondContact O-N 2.72Å; E280-V283 PolarHBondContact O-N 3.38Å; V283-D288 VanDerWaalsContact O-CB 3.28Å; V283-D288 WeakPolarHBondContact O-CB 3.46Å; V283-D288 PolarHBondContact O-N 3.35Å
284	H	93.7	Very high	80.6	Confident	79 Å²	79	48.7 Å²	48.7	37%	0.366	29%	0.286	S	S	.	.	I	π-helix	trans	-94	-13	-167.3	-57.6	-56.6	0	0	0	114.6	L120 E280	L120-H284 PolarHBondContact O-CE1 3.12Å; L120-H284 PolarHBondContact O-NE2 3.16Å; E280-H284 WeakPolarHBondContact O-CB 3.33Å; E280-H284 PolarHBondContact O-CD2 2.97Å; E280-H284 VanDerWaalsContact O-CD2 3.26Å; E280-H284 PolarHBondContact O-N 3.48Å
285	V	92.9	Very high	77.7	Confident	45 Å²	45	54.4 Å²	54.4	27%	0.273	31%	0.313	S	S	.	.	I	π-helix	trans	-119.7	-50.5	-178.5	-173.1	0	0	0	0	111.6	Y281 G289 Y315	Y281-V285 HydrophobicContact CD1-CB 4.45Å; Y281-V285 HydrophobicContact CD2-CB 4Å; Y281-V285 HydrophobicContact CD2-CG1 4.38Å; Y281-V285 HydrophobicContact CD2-CG2 3.72Å; Y281-V285 HydrophobicContact CE1-CB 4.41Å; Y281-V285 HydrophobicContact CE1-CG1 4.34Å; Y281-V285 HydrophobicContact CE2-CB 3.97Å; Y281-V285 HydrophobicContact CE2-CG1 3.83Å; Y281-V285 HydrophobicContact CE2-CG2 3.92Å; Y281-V285 HydrophobicContact CG-CB 4.26Å; Y281-V285 HydrophobicContact CG-CG2 4.3Å; Y281-V285 WeakPolarHBondContact O-CA 3.42Å; Y281-V285 VanDerWaalsContact O-CB 3.24Å; Y281-V285 WeakPolarHBondContact O-CB 3.45Å; Y281-V285 PolarHBondContact O-N 2.97Å; V285-G289 WeakPolarHBondContact O-CA 3.29Å; V285-Y315 HydrophobicContact CG2-CD2 4.49Å; V285-Y315 HydrophobicContact CG2-CE2 4.46Å
286	E	94	Very high	74.7	Confident	41 Å²	41	59.2 Å²	59.2	19%	0.192	35%	0.348	C	S	.	.	I	π-helix	trans	-81.7	-33.9	-174.2	-62	174.7	139.8	0	0	112.7	R278 Y281 L282	R278-E286 IonicContact CZ-OE1 2.73Å; R278-E286 IonicContact CZ-OE2 3.74Å; R278-E286 VanDerWaalsContact CZ-OE2 3.28Å; R278-E286 IonicContact NH1-OE1 3.37Å; R278-E286 IonicContact NH1-OE2 3.2Å; R278-E286 PolarHBondContact NH1-OE2 2.97Å; R278-E286 IonicContact NH2-OE1 2.92Å; R278-E286 PolarHBondContact NH2-OE1 3.02Å; R278-E286 IonicContact NH2-OE2 3.64Å; R278-E286 PolarHBondContact NH2-OE2 3.25Å; Y281-E286 HydrophobicContact CD1-CG 3.78Å; Y281-E286 HydrophobicContact CE1-CG 3.66Å; Y281-E286 PolarHBondContact O-N 3.01Å; Y281-E286 VanDerWaalsContact O-N 3.11Å; L282-E286 VanDerWaalsContact CA-OE2 3.31Å; L282-E286 WeakPolarHBondContact CA-OE2 3.46Å; L282-E286 HydrophobicContact CD1-CB 4.3Å; L282-E286 WeakPolarHBondContact CD1-OE2 3.36Å; L282-E286 PolarHBondContact O-N 3.3Å
287	V	92.6	Very high	71.7	Confident	37 Å²	37	65.7 Å²	65.7	22%	0.224	38%	0.377	C	S	.	.	I	π-helix	trans	-102	-55.3	-176.9	-177.9	0	0	0	0	113.1	L94 A188 A189 L282	L94-V287 HydrophobicContact CD1-CB 4.03Å; L94-V287 HydrophobicContact CD1-CG1 3.57Å; L94-V287 HydrophobicContact CD2-CG1 3.82Å; L94-V287 HydrophobicContact CG-CG1 4.35Å; A188-V287 HydrophobicContact CB-CG1 3.82Å; A189-V287 HydrophobicContact CB-CG2 3.78Å; L282-V287 HydrophobicContact CD1-CG2 3.93Å; L282-V287 HydrophobicContact CG-CG2 4.21Å; L282-V287 WeakPolarHBondContact O-CB 3.33Å; L282-V287 WeakPolarHBondContact O-CG2 3.18Å; L282-V287 PolarHBondContact O-N 3.19Å
288	D	82	Confident	68.4	Low	74 Å²	74	73.7 Å²	73.7	40%	0.396	41%	0.414	S	S	.	.	S	Bend	trans	-91.5	-6.1	-178.9	-163.4	41.3	0	0	0	113.7	K93 V283	K93-D288 VanDerWaalsContact CD-OD1 3.26Å; K93-D288 WeakPolarHBondContact CD-OD1 3.34Å; K93-D288 IonicContact NZ-OD1 2.91Å; K93-D288 PolarHBondContact NZ-OD1 3.44Å; K93-D288 IonicContact NZ-OD2 2.72Å; K93-D288 PolarHBondContact NZ-OD2 2.84Å; V283-D288 VanDerWaalsContact O-CB 3.28Å; V283-D288 WeakPolarHBondContact O-CB 3.46Å; V283-D288 PolarHBondContact O-N 3.35Å
289	G	72.6	Confident	65	Low	20 Å²	20	78.7 Å²	78.7	21%	0.206	45%	0.449	C	S	.	.	S	Bend	trans	-76.3	173.4	176.7	0	0	0	0	0	113.3	V285 G291	V285-G289 WeakPolarHBondContact O-CA 3.29Å; G289-G291 PolarHBondContact O-N 3.11Å
290	P	50.8	Low	61.7	Low	149 Å²	149	85.2 Å²	85.2	97%	0.968	48%	0.484	S	S	*	.	S	Bend	trans	-65.3	16.4	178.8	25.6	-32.9	0	0	0	115.4
291	G	47.2	Very low	58.5	Low	45 Å²	45	88.5 Å²	88.5	46%	0.464	51%	0.511	S	S	.	.			trans	77.1	142.5	-175.5	0	0	0	0	0	112.4	G289	G289-G291 PolarHBondContact O-N 3.11Å
292	V	42.2	Very low	55.3	Low	95 Å²	95	90.7 Å²	90.7	58%	0.576	53%	0.527	S	S	*	.			trans	-81.1	129.7	160.4	-178.4	0	0	0	0	106.6	N294	V292-N294 PolarHBondContact O-N 3.02Å
293	P	31.8	Very low	52.1	Low	104 Å²	104	95.4 Å²	95.4	68%	0.675	55%	0.552	S	S	*	*			trans	-55.6	130.2	173.7	-22.8	32.3	0	0	0	110	H295	P293-H295 VanDerWaalsContact C-N 3.35Å; P293-H295 PolarHBondContact O-N 3.45Å
294	N	31.2	Very low	49.2	Very low	163 Å²	163	104.8 Å²	104.8	87%	0.872	59%	0.587	S	S	*	*			trans	-56.8	95	174.1	-81.7	-20.4	0	0	0	109.5	V292 S296	V292-N294 PolarHBondContact O-N 3.02Å; N294-S296 VanDerWaalsContact C-N 3.31Å; N294-S296 PolarHBondContact O-N 3.14Å
295	H	32.6	Very low	46.2	Very low	178 Å²	178	105.9 Å²	105.9	82%	0.824	60%	0.596	S	S	*	*			trans	-71.1	97.1	158.6	-86.8	-70.7	0	0	0	107	P293 Q297	P293-H295 VanDerWaalsContact C-N 3.35Å; P293-H295 PolarHBondContact O-N 3.45Å; H295-Q297 PolarHBondContact O-N 3.5Å
296	S	33.7	Very low	43.5	Very low	109 Å²	109	107.8 Å²	107.8	76%	0.762	60%	0.604	S	S	*	*			trans	-45.4	126	162.3	47.3	0	0	0	0	109.2	N294 E298	N294-S296 VanDerWaalsContact C-N 3.31Å; N294-S296 PolarHBondContact O-N 3.14Å; S296-E298 PolarHBondContact O-N 3.23Å; S296-E298 VanDerWaalsContact O-N 3.1Å
297	Q	33.3	Very low	41.3	Very low	162 Å²	162	116.6 Å²	116.6	76%	0.757	64%	0.635	S	S	*	*			trans	-51.7	109.4	-174.8	-64.1	-178.5	-10.9	0	0	112.1	H295 S299	H295-Q297 PolarHBondContact O-N 3.5Å; Q297-S299 PolarHBondContact O-N 2.9Å
298	E	27.1	Very low	39.9	Very low	180 Å²	180	118.4 Å²	118.4	84%	0.841	64%	0.64	S	S	*	*			trans	-72.5	102.7	149.6	-84.7	-176.5	167.8	0	0	107.4	S296 N300	S296-E298 PolarHBondContact O-N 3.23Å; S296-E298 VanDerWaalsContact O-N 3.1Å; E298-N300 PolarHBondContact O-N 3.14Å; E298-N300 VanDerWaalsContact O-N 3.11Å
299	S	27	Very low	39.6	Very low	105 Å²	105	117.2 Å²	117.2	73%	0.734	64%	0.637	S	S	*	*			trans	-67.1	98.4	170.6	41.9	0	0	0	0	109.1	Q297	Q297-S299 PolarHBondContact O-N 2.9Å
300	N	27.4	Very low	39.8	Very low	137 Å²	137	122.2 Å²	122.2	73%	0.733	66%	0.659	S	S	*	*			trans	-134.4	99.2	157.3	-95.1	-32.5	0	0	0	109.2	E298 T302	E298-N300 PolarHBondContact O-N 3.14Å; E298-N300 VanDerWaalsContact O-N 3.11Å; N300-T302 PolarHBondContact O-N 2.9Å; N300-T302 VanDerWaalsContact O-N 3.13Å
301	S	28.7	Very low	41	Very low	108 Å²	108	116.7 Å²	116.7	76%	0.755	63%	0.63	S	S	*	*			trans	-66.5	103	172.4	63.3	0	0	0	0	109.5	R421	S301-R421 PolarHBondContact O-NH2 3.43Å; S301-R421 VanDerWaalsContact O-NH2 3.12Å
302	T	28.2	Very low	42.5	Very low	69 Å²	69	114.6 Å²	114.6	42%	0.423	61%	0.607	S	S	.	*			trans	-160.9	136.5	145.5	9.7	0	0	0	0	113	N300 R304 R421	N300-T302 PolarHBondContact O-N 2.9Å; N300-T302 VanDerWaalsContact O-N 3.13Å; T302-R304 PolarHBondContact O-N 3.2Å; T302-R421 VanDerWaalsContact CG2-NE 3.27Å; T302-R421 PolarHBondContact OG1-NH2 2.61Å
303	N	28.9	Very low	44.3	Very low	99 Å²	99	113.8 Å²	113.8	53%	0.529	60%	0.6	S	S	.	*			trans	28.6	84.8	154.5	-78.6	-18	0	0	0	116.3
304	R	34.9	Very low	46.7	Very low	202 Å²	202	116.3 Å²	116.3	76%	0.762	60%	0.6	S	S	*	*			trans	-103.7	104	163.2	-64.1	-172.7	-164	167.8	5	109.3	T302 I306	T302-R304 PolarHBondContact O-N 3.2Å; R304-I306 PolarHBondContact O-N 3.39Å
305	N	30.6	Very low	48.9	Very low	102 Å²	102	110.6 Å²	110.6	55%	0.545	57%	0.567	S	S	.	*			trans	-53.7	122.2	144.1	-81.1	-31.7	0	0	0	106.1	R307 I424	N305-R307 PolarHBondContact O-N 2.98Å; N305-I424 WeakPolarHBondContact ND2-CD1 3.44Å
306	I	38	Very low	51.1	Low	85 Å²	85	103.1 Å²	103.1	44%	0.436	53%	0.532	S	S	.	.			trans	-63.9	96.4	-173.6	-58.3	173.2	0	0	0	107.9	P258 F260 R304	P258-I306 HydrophobicContact CG-CD1 4.43Å; F260-I306 HydrophobicContact CD2-CD1 3.27Å; F260-I306 HydrophobicContact CE2-CD1 3.48Å; F260-I306 VanDerWaalsContact CE2-CD1 3.48Å; F260-I306 HydrophobicContact CG-CD1 4.25Å; R304-I306 PolarHBondContact O-N 3.39Å
307	R	47.4	Very low	53.3	Low	226 Å²	226	101 Å²	101	85%	0.853	52%	0.516	S	S	*	.	P	Polyproline II helix	trans	-92.5	137.4	169	-81.7	-174.4	174.7	177.3	-0.3	108	N305	N305-R307 PolarHBondContact O-N 2.98Å
308	F	63.1	Low	55.5	Low	75 Å²	75	102.7 Å²	102.7	33%	0.329	52%	0.516	S	S	.	.	P	Polyproline II helix	trans	-61.2	141.1	177.8	-69.9	-72.1	0	0	0	111.3	E257 L259 L312 L313 F316	E257-F308 WeakPolarHBondContact OE1-CA 3.21Å; E257-F308 VanDerWaalsContact OE1-CD1 3.27Å; E257-F308 WeakPolarHBondContact OE1-CD1 3.44Å; L259-F308 HydrophobicContact CD1-CE1 4.12Å; L259-F308 HydrophobicContact CD1-CZ 4.06Å; F308-L312 HydrophobicContact CD1-CD2 3.69Å; F308-L312 HydrophobicContact CD1-CG 4.02Å; F308-L312 HydrophobicContact CE1-CD2 4.2Å; F308-L313 HydrophobicContact CB-CB 4.12Å; F308-L313 HydrophobicContact CB-CD1 4.46Å; F308-F316 HydrophobicContact CD1-CD2 4.37Å; F308-F316 AromaticContact CD1-CE2 3.96Å; F308-F316 HydrophobicContact CD1-CE2 3.96Å; F308-F316 HydrophobicContact CE1-CD2 4.42Å; F308-F316 AromaticContact CE1-CE2 3.67Å; F308-F316 HydrophobicContact CE1-CE2 3.67Å; F308-F316 HydrophobicContact CE1-CZ 4.1Å; F308-F316 HydrophobicContact CZ-CE2 4.08Å; F308-F316 HydrophobicContact CZ-CZ 4.19Å
309	S	75.2	Confident	57.9	Low	48 Å²	48	96 Å²	96	34%	0.336	49%	0.486	S	S	.	.	P	Polyproline II helix	trans	-59.2	153.1	170.2	62.8	0	0	0	0	110.4	E257 G311 L312 L313	E257-S309 VanDerWaalsContact CD-N 3.29Å; E257-S309 PolarHBondContact OE1-N 2.84Å; E257-S309 WeakPolarHBondContact OE2-CA 3.17Å; E257-S309 WeakPolarHBondContact OE2-CB 3.31Å; E257-S309 PolarHBondContact OE2-N 2.77Å; E257-S309 PolarHBondContact OE2-OG 3.41Å; S309-G311 PolarHBondContact O-N 3.32Å; S309-L312 PolarHBondContact O-N 2.76Å; S309-L312 WeakPolarHBondContact OG-CB 3.47Å; S309-L312 PolarHBondContact OG-N 2.7Å; S309-L313 VanDerWaalsContact O-CB 3.29Å; S309-L313 WeakPolarHBondContact O-CB 3.27Å; S309-L313 PolarHBondContact O-N 3.23Å
310	N	76.6	Confident	59.8	Low	126 Å²	126	97.7 Å²	97.7	67%	0.674	48%	0.476	S	S	*	.	H	α-helix	trans	-57.2	-33.9	179.6	-76.5	-26.8	0	0	0	112.8	K314	N310-K314 WeakPolarHBondContact O-CB 3.35Å; N310-K314 WeakPolarHBondContact O-CG 3.46Å; N310-K314 PolarHBondContact O-N 2.93Å
311	G	77	Confident	61.3	Low	33 Å²	33	98 Å²	98	34%	0.34	47%	0.471	S	S	.	.	H	α-helix	trans	-67.4	-51.7	176.9	0	0	0	0	0	111.8	S309 K314 Y315	S309-G311 PolarHBondContact O-N 3.32Å; G311-K314 PolarHBondContact O-N 2.84Å; G311-Y315 PolarHBondContact O-N 3.14Å
312	L	78.3	Confident	62.3	Low	0 Å²	0	96.2 Å²	96.2	0%	0	46%	0.458	C	S	.	.	H	α-helix	trans	-64.4	-42.7	178.2	-175.8	52.1	0	0	0	111.3	E257 Y281 F308 S309 K314 Y315 F316	E257-L312 HydrophobicContact CB-CD2 4.49Å; E257-L312 HydrophobicContact CG-CD2 4.41Å; E257-L312 WeakPolarHBondContact OE1-CD2 3.36Å; Y281-L312 HydrophobicContact CD1-CD1 3.9Å; Y281-L312 HydrophobicContact CD2-CD1 3.94Å; Y281-L312 HydrophobicContact CE1-CB 4.39Å; Y281-L312 HydrophobicContact CE1-CD1 4.43Å; Y281-L312 HydrophobicContact CE2-CD1 4.46Å; Y281-L312 HydrophobicContact CG-CD1 3.61Å; F308-L312 HydrophobicContact CD1-CD2 3.69Å; F308-L312 HydrophobicContact CD1-CG 4.02Å; F308-L312 HydrophobicContact CE1-CD2 4.2Å; S309-L312 PolarHBondContact O-N 2.76Å; S309-L312 WeakPolarHBondContact OG-CB 3.47Å; S309-L312 PolarHBondContact OG-N 2.7Å; L312-K314 VanDerWaalsContact C-N 3.35Å; L312-K314 PolarHBondContact O-N 2.94Å; L312-Y315 WeakPolarHBondContact O-CB 3.45Å; L312-Y315 PolarHBondContact O-N 3.18Å; L312-Y315 VanDerWaalsContact O-N 3.11Å; L312-F316 HydrophobicContact CD1-CD2 3.57Å; L312-F316 HydrophobicContact CD1-CE2 3.41Å; L312-F316 VanDerWaalsContact CD1-CE2 3.41Å; L312-F316 HydrophobicContact CD2-CE2 3.98Å; L312-F316 HydrophobicContact CG-CD2 3.6Å; L312-F316 HydrophobicContact CG-CE2 3.5Å; L312-F316 VanDerWaalsContact CG-CE2 3.5Å; L312-F316 WeakPolarHBondContact O-CB 3.45Å; L312-F316 VanDerWaalsContact O-CD2 3.26Å; L312-F316 WeakPolarHBondContact O-CD2 3.46Å; L312-F316 PolarHBondContact O-N 3.45Å
313	L	80.5	Confident	63	Low	79 Å²	79	96 Å²	96	41%	0.414	46%	0.46	S	S	.	.	H	α-helix	trans	-60.5	-40.9	176.2	-174.4	65	0	0	0	112.5	F308 S309 C317	F308-L313 HydrophobicContact CB-CB 4.12Å; F308-L313 HydrophobicContact CB-CD1 4.46Å; S309-L313 VanDerWaalsContact O-CB 3.29Å; S309-L313 WeakPolarHBondContact O-CB 3.27Å; S309-L313 PolarHBondContact O-N 3.23Å; L313-C317 WeakPolarHBondContact O-CB 3.28Å; L313-C317 PolarHBondContact O-N 2.76Å; L313-C317 PolarHBondContact O-SG 3.44Å
314	K	80.3	Confident	63.6	Low	156 Å²	156	97 Å²	97	68%	0.678	46%	0.461	S	S	*	.	H	α-helix	trans	-64.1	-41.7	173.9	-78.2	173.7	-177.3	-178.8	0	111.3	N310 G311 L312 C317 R318	N310-K314 WeakPolarHBondContact O-CB 3.35Å; N310-K314 WeakPolarHBondContact O-CG 3.46Å; N310-K314 PolarHBondContact O-N 2.93Å; G311-K314 PolarHBondContact O-N 2.84Å; L312-K314 VanDerWaalsContact C-N 3.35Å; L312-K314 PolarHBondContact O-N 2.94Å; K314-C317 PolarHBondContact O-N 2.98Å; K314-R318 WeakPolarHBondContact O-CB 3.1Å; K314-R318 PolarHBondContact O-N 3.03Å
315	Y	77.7	Confident	63.4	Low	44 Å²	44	92.2 Å²	92.2	17%	0.173	45%	0.451	C	S	.	.	H	α-helix	trans	-62.1	-49	176.2	-169.9	-94.6	0	0	0	111.6	I277 E280 Y281 V285 G311 L312 C317 R318 N319	I277-Y315 HydrophobicContact CG2-CD1 3.66Å; I277-Y315 HydrophobicContact CG2-CE1 3.83Å; I277-Y315 WeakPolarHBondContact O-CE1 3.49Å; E280-Y315 HydrophobicContact CB-CE1 4.01Å; E280-Y315 WeakPolarHBondContact CB-OH 3.43Å; E280-Y315 PolarHBondContact OE2-OH 2.98Å; Y281-Y315 AromaticContact CD2-CD1 3.9Å; Y281-Y315 HydrophobicContact CD2-CD1 3.9Å; Y281-Y315 AromaticContact CD2-CD2 3.85Å; Y281-Y315 HydrophobicContact CD2-CD2 3.85Å; Y281-Y315 AromaticContact CD2-CG 3.52Å; Y281-Y315 HydrophobicContact CD2-CG 3.52Å; Y281-Y315 HydrophobicContact CE2-CG 4.26Å; Y281-Y315 HydrophobicContact CG-CD1 4.42Å; Y281-Y315 HydrophobicContact CG-CG 4.45Å; V285-Y315 HydrophobicContact CG2-CD2 4.49Å; V285-Y315 HydrophobicContact CG2-CE2 4.46Å; G311-Y315 PolarHBondContact O-N 3.14Å; L312-Y315 WeakPolarHBondContact O-CB 3.45Å; L312-Y315 PolarHBondContact O-N 3.18Å; L312-Y315 VanDerWaalsContact O-N 3.11Å; Y315-C317 PolarHBondContact O-N 3.19Å; Y315-R318 WeakPolarHBondContact O-CB 3.45Å; Y315-R318 PolarHBondContact O-N 3.3Å; Y315-R318 VanDerWaalsContact O-N 3.16Å; Y315-N319 WeakPolarHBondContact CE1-ND2 3.39Å; Y315-N319 VanDerWaalsContact CZ-ND2 3.27Å; Y315-N319 PolarHBondContact O-N 2.77Å; Y315-N319 PolarHBondContact OH-ND2 3.21Å
316	F	79.2	Confident	63.3	Low	20 Å²	20	92.8 Å²	92.8	9%	0.088	45%	0.454	C	S	.	.	H	α-helix	trans	-53.5	-51.4	172.1	-92.5	-76.9	0	0	0	112.4	E274 I277 F308 L312 R318 N319 R320	E274-F316 HydrophobicContact CB-CE1 3.75Å; E274-F316 HydrophobicContact CB-CZ 4.11Å; E274-F316 HydrophobicContact CG-CE1 3.73Å; E274-F316 HydrophobicContact CG-CZ 4.42Å; I277-F316 HydrophobicContact CB-CD1 4.09Å; I277-F316 HydrophobicContact CB-CE1 3.77Å; I277-F316 HydrophobicContact CB-CZ 4.23Å; I277-F316 HydrophobicContact CD1-CD1 3.87Å; I277-F316 HydrophobicContact CD1-CE1 4.06Å; I277-F316 HydrophobicContact CG2-CD1 3.49Å; I277-F316 VanDerWaalsContact CG2-CD1 3.49Å; I277-F316 HydrophobicContact CG2-CD2 4.15Å; I277-F316 HydrophobicContact CG2-CE1 3.56Å; I277-F316 HydrophobicContact CG2-CE2 4.21Å; I277-F316 HydrophobicContact CG2-CG 3.79Å; I277-F316 HydrophobicContact CG2-CZ 3.91Å; F308-F316 HydrophobicContact CD1-CD2 4.37Å; F308-F316 AromaticContact CD1-CE2 3.96Å; F308-F316 HydrophobicContact CD1-CE2 3.96Å; F308-F316 HydrophobicContact CE1-CD2 4.42Å; F308-F316 AromaticContact CE1-CE2 3.67Å; F308-F316 HydrophobicContact CE1-CE2 3.67Å; F308-F316 HydrophobicContact CE1-CZ 4.1Å; F308-F316 HydrophobicContact CZ-CE2 4.08Å; F308-F316 HydrophobicContact CZ-CZ 4.19Å; L312-F316 HydrophobicContact CD1-CD2 3.57Å; L312-F316 HydrophobicContact CD1-CE2 3.41Å; L312-F316 VanDerWaalsContact CD1-CE2 3.41Å; L312-F316 HydrophobicContact CD2-CE2 3.98Å; L312-F316 HydrophobicContact CG-CD2 3.6Å; L312-F316 HydrophobicContact CG-CE2 3.5Å; L312-F316 VanDerWaalsContact CG-CE2 3.5Å; L312-F316 WeakPolarHBondContact O-CB 3.45Å; L312-F316 VanDerWaalsContact O-CD2 3.26Å; L312-F316 WeakPolarHBondContact O-CD2 3.46Å; L312-F316 PolarHBondContact O-N 3.45Å; F316-R318 VanDerWaalsContact C-N 3.26Å; F316-R318 PolarHBondContact O-N 2.77Å; F316-N319 PolarHBondContact O-N 2.64Å; F316-R320 WeakPolarHBondContact O-CB 3.47Å; F316-R320 PolarHBondContact O-N 3.45Å
317	C	81	Confident	62.8	Low	66 Å²	66	92.7 Å²	92.7	45%	0.446	46%	0.461	S	S	.	.	H	α-helix	trans	-59.9	-36.8	179.1	-71.3	0	0	0	0	112.6	L313 K314 Y315 K321	L313-C317 WeakPolarHBondContact O-CB 3.28Å; L313-C317 PolarHBondContact O-N 2.76Å; L313-C317 PolarHBondContact O-SG 3.44Å; K314-C317 PolarHBondContact O-N 2.98Å; Y315-C317 PolarHBondContact O-N 3.19Å; C317-K321 WeakPolarHBondContact O-CG 3.45Å; C317-K321 PolarHBondContact O-N 2.73Å
318	R	79.6	Confident	61.9	Low	196 Å²	196	88.7 Å²	88.7	74%	0.74	45%	0.449	S	S	*	.	H	α-helix	trans	-68.7	-47.9	178.5	-177.2	178.7	174.8	173.3	-2.1	111.4	K314 Y315 F316 K321 S322	K314-R318 WeakPolarHBondContact O-CB 3.1Å; K314-R318 PolarHBondContact O-N 3.03Å; Y315-R318 WeakPolarHBondContact O-CB 3.45Å; Y315-R318 PolarHBondContact O-N 3.3Å; Y315-R318 VanDerWaalsContact O-N 3.16Å; F316-R318 VanDerWaalsContact C-N 3.26Å; F316-R318 PolarHBondContact O-N 2.77Å; R318-K321 PolarHBondContact O-N 2.78Å; R318-S322 PolarHBondContact O-N 3.44Å
319	N	75.6	Confident	60.1	Low	39 Å²	39	92.8 Å²	92.8	21%	0.209	47%	0.47	C	S	.	.	H	α-helix	trans	-73	-31.2	-177.7	-72.9	1.5	0	0	0	112.3	I277 E280 Y315 F316 K321 S322 S323	I277-N319 HydrophobicContact CD1-CB 4.26Å; I277-N319 HydrophobicContact CG1-CB 4.19Å; E280-N319 PolarHBondContact OE2-ND2 2.97Å; Y315-N319 WeakPolarHBondContact CE1-ND2 3.39Å; Y315-N319 VanDerWaalsContact CZ-ND2 3.27Å; Y315-N319 PolarHBondContact O-N 2.77Å; Y315-N319 PolarHBondContact OH-ND2 3.21Å; F316-N319 PolarHBondContact O-N 2.64Å; N319-K321 PolarHBondContact O-N 2.9Å; N319-S322 WeakPolarHBondContact O-CB 3.48Å; N319-S322 PolarHBondContact O-N 2.72Å; N319-S323 PolarHBondContact O-N 2.91Å
320	R	68.7	Low	57.7	Low	141 Å²	141	97.5 Å²	97.5	53%	0.532	49%	0.489	S	S	.	.	H	α-helix	trans	-62.2	-42.4	172.9	-163.3	-178.4	-174.9	118.6	0.1	112.8	E273 F316 S322 S323 E324	E273-R320 IonicContact OE1-CZ 3.91Å; E273-R320 IonicContact OE1-NH1 3.66Å; F316-R320 WeakPolarHBondContact O-CB 3.47Å; F316-R320 PolarHBondContact O-N 3.45Å; R320-S322 VanDerWaalsContact C-N 3.3Å; R320-S322 PolarHBondContact O-N 2.61Å; R320-S323 WeakPolarHBondContact O-CB 3.46Å; R320-S323 PolarHBondContact O-N 2.73Å; R320-E324 PolarHBondContact O-N 3.38Å
321	K	58.4	Low	55.2	Low	145 Å²	145	96 Å²	96	63%	0.63	49%	0.489	S	S	*	.	H	α-helix	trans	-66.2	-30.7	176.5	-73.4	-179.3	-179.5	-178.1	0	113	C317 R318 N319 S323 E324 N325	C317-K321 WeakPolarHBondContact O-CG 3.45Å; C317-K321 PolarHBondContact O-N 2.73Å; R318-K321 PolarHBondContact O-N 2.78Å; N319-K321 PolarHBondContact O-N 2.9Å; K321-S323 VanDerWaalsContact C-N 3.35Å; K321-E324 PolarHBondContact O-N 3.48Å; K321-N325 PolarHBondContact O-N 3.46Å; K321-N325 VanDerWaalsContact O-N 3.16Å
322	S	50.2	Low	52.6	Low	70 Å²	70	98.7 Å²	98.7	49%	0.49	50%	0.502	S	S	.	.	H	α-helix	trans	-66.4	-38	174.9	-168.2	0	0	0	0	111.9	R318 N319 R320 N325 N326	R318-S322 PolarHBondContact O-N 3.44Å; N319-S322 WeakPolarHBondContact O-CB 3.48Å; N319-S322 PolarHBondContact O-N 2.72Å; R320-S322 VanDerWaalsContact C-N 3.3Å; R320-S322 PolarHBondContact O-N 2.61Å; S322-N325 PolarHBondContact O-N 3.05Å; S322-N326 PolarHBondContact O-N 3.06Å
323	S	42.1	Very low	49.9	Very low	64 Å²	64	105.7 Å²	105.7	45%	0.448	54%	0.538	S	S	.	.	H	α-helix	trans	-64.8	-39.4	176.6	-166.7	0	0	0	0	112.1	N319 R320 K321	N319-S323 PolarHBondContact O-N 2.91Å; R320-S323 WeakPolarHBondContact O-CB 3.46Å; R320-S323 PolarHBondContact O-N 2.73Å; K321-S323 VanDerWaalsContact C-N 3.35Å
324	E	40.7	Very low	47.1	Very low	121 Å²	121	110.7 Å²	110.7	57%	0.565	56%	0.559	S	S	*	*	H	α-helix	trans	-70.3	-34.3	175.9	-73.8	-176.7	169.7	0	0	113.3	R320 K321 N326 S327	R320-E324 PolarHBondContact O-N 3.38Å; K321-E324 PolarHBondContact O-N 3.48Å; E324-N326 VanDerWaalsContact C-N 3.35Å; E324-N326 PolarHBondContact O-N 3.02Å; E324-S327 PolarHBondContact O-N 3.14Å; E324-S327 PolarHBondContact O-OG 2.67Å
325	N	31.7	Very low	44.2	Very low	101 Å²	101	110.6 Å²	110.6	54%	0.54	57%	0.565	S	S	.	*	H	α-helix	trans	-71.2	-26.3	179.3	-81.9	-15.9	0	0	0	113.6	K321 S322 S327 K328	K321-N325 PolarHBondContact O-N 3.46Å; K321-N325 VanDerWaalsContact O-N 3.16Å; S322-N325 PolarHBondContact O-N 3.05Å; N325-S327 PolarHBondContact O-N 2.77Å; N325-K328 PolarHBondContact O-N 3.23Å; N325-K328 VanDerWaalsContact O-N 3.16Å
326	N	29	Very low	41.6	Very low	114 Å²	114	113.3 Å²	113.3	61%	0.61	59%	0.59	S	S	*	*	H	α-helix	trans	-70.5	-17.1	171.9	-83.3	-4.5	0	0	0	113.4	S322 E324	S322-N326 PolarHBondContact O-N 3.06Å; E324-N326 VanDerWaalsContact C-N 3.35Å; E324-N326 PolarHBondContact O-N 3.02Å
327	S	27.3	Very low	38.8	Very low	83 Å²	83	123.9 Å²	123.9	58%	0.58	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.7	-16.5	171.5	71.8	0	0	0	0	113.5	E324 N325	E324-S327 PolarHBondContact O-N 3.14Å; E324-S327 PolarHBondContact O-OG 2.67Å; N325-S327 PolarHBondContact O-N 2.77Å
328	K	28.2	Very low	36	Very low	142 Å²	142	130.5 Å²	130.5	62%	0.617	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.8	-23	177.8	-75.3	-177.3	178.1	172.5	0	113.6	N325 I330 S331	N325-K328 PolarHBondContact O-N 3.23Å; N325-K328 VanDerWaalsContact O-N 3.16Å; K328-I330 VanDerWaalsContact C-N 3.28Å; K328-I330 PolarHBondContact O-N 2.83Å; K328-S331 PolarHBondContact O-N 2.94Å; K328-S331 PolarHBondContact O-OG 3.16Å
329	Q	25.6	Very low	33.3	Very low	161 Å²	161	126.2 Å²	126.2	75%	0.752	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.7	-6.4	-178.6	-131.7	177.8	8.6	0	0	114.7
330	I	24.1	Very low	30.9	Very low	147 Å²	147	134.1 Å²	134.1	75%	0.754	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.2	-8.6	170.1	-62.2	176.2	0	0	0	111.6	K328	K328-I330 VanDerWaalsContact C-N 3.28Å; K328-I330 PolarHBondContact O-N 2.83Å
331	S	24.9	Very low	28.6	Very low	94 Å²	94	132.7 Å²	132.7	66%	0.657	70%	0.695	S	S	*	*	S	Bend	trans	-91.1	2.6	-178.8	69.5	0	0	0	0	115.2	K328	K328-S331 PolarHBondContact O-N 2.94Å; K328-S331 PolarHBondContact O-OG 3.16Å
332	S	22.1	Very low	27	Very low	89 Å²	89	131 Å²	131	62%	0.622	70%	0.699	S	S	*	*			trans	-109.3	52.7	176	66.5	0	0	0	0	112.6
333	I	21.6	Very low	25.7	Very low	147 Å²	147	136.6 Å²	136.6	75%	0.754	71%	0.714	S	S	*	*			trans	-93.4	98.5	151.3	-64.1	175.5	0	0	0	105.6	I335	I333-I335 PolarHBondContact O-N 3.48Å; I333-I335 VanDerWaalsContact O-N 3.08Å
334	Q	20.9	Very low	24.9	Very low	184 Å²	184	141.3 Å²	141.3	86%	0.86	74%	0.735	S	S	*	*			trans	-65.1	104.2	175.1	-72.7	-174.5	-42.8	0	0	109.5	S336	Q334-S336 PolarHBondContact O-N 2.93Å; Q334-S336 VanDerWaalsContact O-N 3.17Å
335	I	20.4	Very low	24	Very low	154 Å²	154	144.1 Å²	144.1	79%	0.79	75%	0.748	S	S	*	*			trans	-77.5	98.7	160.5	-60.4	176.4	0	0	0	106.6	I333 R337	I333-I335 PolarHBondContact O-N 3.48Å; I333-I335 VanDerWaalsContact O-N 3.08Å; I335-R337 PolarHBondContact O-N 3.37Å; I335-R337 VanDerWaalsContact O-N 3.13Å
336	S	22.4	Very low	23.5	Very low	102 Å²	102	146 Å²	146	71%	0.713	76%	0.757	S	S	*	*			trans	-62.8	110.1	173.4	-166.2	0	0	0	0	109.7	Q334 K338	Q334-S336 PolarHBondContact O-N 2.93Å; Q334-S336 VanDerWaalsContact O-N 3.17Å; S336-K338 PolarHBondContact O-N 2.93Å
337	R	20.9	Very low	23.4	Very low	241 Å²	241	148.8 Å²	148.8	91%	0.909	77%	0.766	S	S	*	*			trans	-76.9	102.5	165	-74.7	179.2	174.8	164.1	-1.7	107.9	I335	I335-R337 PolarHBondContact O-N 3.37Å; I335-R337 VanDerWaalsContact O-N 3.13Å
338	K	22.6	Very low	23.1	Very low	206 Å²	206	154.3 Å²	154.3	90%	0.896	78%	0.78	S	S	*	*			trans	-124.4	102.3	157.7	-99.9	-174.5	176.5	-179.5	0	109.8	S336	S336-K338 PolarHBondContact O-N 2.93Å
339	S	22.2	Very low	22.9	Very low	106 Å²	106	156.4 Å²	156.4	74%	0.741	79%	0.792	S	S	*	*			trans	-113.3	132.8	158.9	60.2	0	0	0	0	108.8
340	K	24.5	Very low	22.8	Very low	205 Å²	205	153.9 Å²	153.9	89%	0.891	79%	0.791	S	S	*	*			trans	91.2	106.7	161	-61.5	-173	177	-179	0	117.9
341	S	21.2	Very low	22.6	Very low	110 Å²	110	154 Å²	154	77%	0.769	79%	0.794	S	S	*	*			trans	-59.1	167.3	161.4	54.1	0	0	0	0	112.7
342	P	25.5	Very low	22.6	Very low	111 Å²	111	155.7 Å²	155.7	72%	0.721	80%	0.8	S	S	*	*				-140.4	150.4	84	32.6	-14.9	0	0	0	115.3
343	K	21.1	Very low	22.4	Very low	186 Å²	186	157.1 Å²	157.1	81%	0.809	81%	0.809	S	S	*	*			trans	60.6	109.2	148.2	-64.2	176.6	178.4	-172.1	0	118.2
344	D	26.5	Very low	22.5	Very low	164 Å²	164	157.5 Å²	157.5	88%	0.877	81%	0.811	S	S	*	*				-169.1	150.2	102.1	-86.5	-23.5	0	0	0	111.1
345	E	20.9	Very low	22.6	Very low	180 Å²	180	153.6 Å²	153.6	84%	0.841	80%	0.804	S	S	*	*			trans	-82.1	168	-167.4	-64.3	176.7	138.2	0	0	113.9
346	L	22.5	Very low	22.6	Very low	139 Å²	139	153.5 Å²	153.5	73%	0.728	81%	0.805	S	S	*	*			trans	74.4	98.9	162.5	-97.9	81.4	0	0	0	118.6
347	H	27	Very low	22.8	Very low	174 Å²	174	153.9 Å²	153.9	81%	0.806	81%	0.814	S	S	*	*				-175.4	129.9	95.2	-104.5	-79.7	0	0	0	111
348	K	21.1	Very low	22.9	Very low	199 Å²	199	147 Å²	147	87%	0.865	80%	0.803	S	S	*	*			trans	-62	139.9	167	-66.1	170.6	174.4	176.5	0	109.4
349	Q	22.1	Very low	23	Very low	186 Å²	186	143.4 Å²	143.4	87%	0.869	79%	0.793	S	S	*	*				168.4	148.4	104.9	-142.1	158.8	7.1	0	0	113.2
350	S	24.1	Very low	23	Very low	107 Å²	107	145 Å²	145	75%	0.748	80%	0.803	S	S	*	*			trans	77.3	103.7	162.8	58.7	0	0	0	0	119.7
351	D	20.9	Very low	23.1	Very low	151 Å²	151	142.3 Å²	142.3	81%	0.807	79%	0.793	S	S	*	*			trans	-56.1	133.2	164.5	-52.5	-71.3	0	0	0	113
352	V	23.6	Very low	23.3	Very low	129 Å²	129	146 Å²	146	78%	0.782	80%	0.798	S	S	*	*			trans	-124.9	96.9	152.5	178.8	0	0	0	0	106.8	I354	V352-I354 HydrophobicContact CG1-CG1 4.36Å; V352-I354 PolarHBondContact O-N 3.15Å
353	C	19.4	Very low	23.2	Very low	119 Å²	119	148.5 Å²	148.5	80%	0.804	80%	0.798	S	S	*	*			trans	-65.7	115.7	167.9	-68.6	0	0	0	0	109.2
354	I	22.8	Very low	23.3	Very low	155 Å²	155	145.8 Å²	145.8	80%	0.795	80%	0.797	S	S	*	*			trans	-114.1	106	153.6	-60.8	-178.2	0	0	0	106.6	V352	V352-I354 HydrophobicContact CG1-CG1 4.36Å; V352-I354 PolarHBondContact O-N 3.15Å
355	S	22.1	Very low	23.3	Very low	102 Å²	102	143.8 Å²	143.8	71%	0.713	79%	0.786	S	S	*	*			trans	-65.2	126.4	176.2	46.2	0	0	0	0	112.2
356	D	21.2	Very low	23.4	Very low	152 Å²	152	141 Å²	141	81%	0.813	78%	0.781	S	S	*	*			trans	26.5	92.4	138	-62.6	-27.4	0	0	0	118.3	S358	D356-S358 PolarHBondContact O-N 3.48Å
357	A	27	Very low	24	Very low	109 Å²	109	137.7 Å²	137.7	90%	0.901	77%	0.769	S	S	*	*			trans	-89.1	85.9	146.4	0	0	0	0	0	108.1
358	S	22.8	Very low	24.3	Very low	97 Å²	97	135.5 Å²	135.5	68%	0.678	76%	0.762	S	S	*	*			trans	-71.6	135.1	172.9	51.4	0	0	0	0	111.3	D356	D356-S358 PolarHBondContact O-N 3.48Å
359	N	23.7	Very low	25.2	Very low	131 Å²	131	127.9 Å²	127.9	70%	0.701	73%	0.733	S	S	*	*			trans	55.2	82.5	151.4	-69.5	-17.7	0	0	0	119.2
360	C	23.6	Very low	26	Very low	140 Å²	140	121.4 Å²	121.4	95%	0.946	71%	0.707	S	S	*	*			trans	-92.7	86.3	144	-122.1	0	0	0	0	108.5	E362	C360-E362 PolarHBondContact O-N 2.92Å; C360-E362 VanDerWaalsContact O-N 3.07Å
361	H	25.6	Very low	26.7	Very low	148 Å²	148	122 Å²	122	69%	0.685	70%	0.699	S	S	*	*			trans	-62.1	107.7	166.6	-92.5	-74.4	0	0	0	108.6	K363	H361-K363 PolarHBondContact O-N 3.41Å
362	E	24.9	Very low	27.9	Very low	188 Å²	188	119.6 Å²	119.6	88%	0.879	68%	0.679	S	S	*	*			trans	-65.1	78.7	167.9	-159.7	174.1	-157.4	0	0	108.5	C360 T364	C360-E362 PolarHBondContact O-N 2.92Å; C360-E362 VanDerWaalsContact O-N 3.07Å; E362-T364 PolarHBondContact O-N 3.12Å
363	K	24.3	Very low	28.6	Very low	162 Å²	162	114.3 Å²	114.3	70%	0.704	65%	0.646	S	S	*	*			trans	-66.3	106.2	169.3	-77.6	-177.8	179.3	175.8	0	106.6	H361 L365	H361-K363 PolarHBondContact O-N 3.41Å; K363-L365 HydrophobicContact CB-CG 4.36Å; K363-L365 PolarHBondContact O-N 3.35Å
364	T	23.7	Very low	29.5	Very low	130 Å²	130	114 Å²	114	80%	0.798	63%	0.628	S	S	*	*			trans	-56.5	89.1	161.2	-39.9	0	0	0	0	107.7	E362 T366	E362-T364 PolarHBondContact O-N 3.12Å; T364-T366 PolarHBondContact O-N 3.19Å
365	L	25.8	Very low	30.2	Very low	122 Å²	122	114.9 Å²	114.9	64%	0.639	63%	0.626	S	S	*	*			trans	-73.1	98.4	-175.1	-80.7	159.6	0	0	0	108.9	K363 S367	K363-L365 HydrophobicContact CB-CG 4.36Å; K363-L365 PolarHBondContact O-N 3.35Å; L365-S367 VanDerWaalsContact C-N 3.31Å; L365-S367 PolarHBondContact O-N 2.84Å
366	T	24.3	Very low	31	Very low	120 Å²	120	116.8 Å²	116.8	74%	0.736	62%	0.617	S	S	*	*			trans	-69.5	85.7	170.3	53	0	0	0	0	109.4	T364 I368	T364-T366 PolarHBondContact O-N 3.19Å; T366-I368 PolarHBondContact O-N 3.13Å
367	S	33.4	Very low	31.7	Very low	70 Å²	70	111.1 Å²	111.1	49%	0.49	60%	0.595	S	S	.	*			trans	-72	123.4	169.6	178.1	0	0	0	0	109.9	L365	L365-S367 VanDerWaalsContact C-N 3.31Å; L365-S367 PolarHBondContact O-N 2.84Å
368	I	33.6	Very low	32.2	Very low	128 Å²	128	107.3 Å²	107.3	66%	0.656	56%	0.559	S	S	*	*			trans	-92.3	116	176.8	-62	169.3	0	0	0	107	T366 P370	T366-I368 PolarHBondContact O-N 3.13Å; I368-P370 WeakPolarHBondContact O-CD 3.47Å; I368-P370 VanDerWaalsContact O-N 3.12Å
369	T	40.1	Very low	32.9	Very low	40 Å²	40	107.9 Å²	107.9	25%	0.245	55%	0.551	C	S	.	*			trans	-49.9	120.9	169.7	-48.4	0	0	0	0	109.5	M371 M373 R374	T369-M371 PolarHBondContact O-N 2.91Å; T369-M373 HydrophobicContact CG2-CB 3.97Å; T369-M373 HydrophobicContact CG2-SD 4.49Å; T369-R374 HydrophobicContact CG2-CG 4.03Å; T369-R374 PolarHBondContact O-NE 3.42Å
370	P	39.8	Very low	33.3	Very low	50 Å²	50	102.7 Å²	102.7	33%	0.325	53%	0.528	S	S	.	.			trans	-52.3	137.3	-179.1	-29	35.5	0	0	0	111.4	I368 W372 M373 R374	I368-P370 WeakPolarHBondContact O-CD 3.47Å; I368-P370 VanDerWaalsContact O-N 3.12Å; P370-W372 PolarHBondContact O-N 3.11Å; P370-M373 HydrophobicContact CG-SD 4.44Å; P370-M373 WeakPolarHBondContact O-CB 3.43Å; P370-M373 PolarHBondContact O-N 3.35Å; P370-R374 PolarHBondContact O-N 3.06Å
371	M	38	Very low	33.8	Very low	119 Å²	119	98.9 Å²	98.9	59%	0.586	50%	0.503	S	S	*	.	H	α-helix	trans	-56.8	-29.1	-172.4	-167.3	-172.3	-63.4	0	0	113.3	T369 R374 K375	T369-M371 PolarHBondContact O-N 2.91Å; M371-R374 PolarHBondContact O-N 3.17Å; M371-K375 WeakPolarHBondContact O-CG 3.41Å; M371-K375 PolarHBondContact O-N 3Å
372	W	47	Very low	34.2	Very low	101 Å²	101	93.8 Å²	93.8	38%	0.383	48%	0.478	S	S	.	.	H	α-helix	trans	-71.2	-30.9	178.7	73.2	-95.6	0	0	0	113.2	Y55 P370 R376 L378	Y55-W372 HydrophobicContact CD2-CZ2 4.26Å; Y55-W372 HydrophobicContact CE2-CH2 4.21Å; Y55-W372 HydrophobicContact CE2-CZ2 4.36Å; P370-W372 PolarHBondContact O-N 3.11Å; W372-R376 WeakPolarHBondContact O-CG 3.39Å; W372-R376 PolarHBondContact O-N 2.94Å; W372-L378 HydrophobicContact CZ3-CD1 4.35Å
373	M	37.2	Very low	34.5	Very low	17 Å²	17	92.1 Å²	92.1	8%	0.084	46%	0.464	C	S	.	.	H	α-helix	trans	-69.9	-42.5	171.6	-76.3	175.8	159.3	0	0	110.1	L56 T369 P370 R376 G377 L378	L56-M373 HydrophobicContact CD2-CE 4.24Å; T369-M373 HydrophobicContact CG2-CB 3.97Å; T369-M373 HydrophobicContact CG2-SD 4.49Å; P370-M373 HydrophobicContact CG-SD 4.44Å; P370-M373 WeakPolarHBondContact O-CB 3.43Å; P370-M373 PolarHBondContact O-N 3.35Å; M373-R376 PolarHBondContact O-N 2.91Å; M373-R376 VanDerWaalsContact O-N 3.15Å; M373-G377 PolarHBondContact O-N 2.81Å; M373-L378 HydrophobicContact CB-CB 4.01Å; M373-L378 HydrophobicContact CG-CB 4.34Å; M373-L378 WeakPolarHBondContact O-CB 3.38Å; M373-L378 PolarHBondContact O-N 2.99Å
374	R	38.5	Very low	34.6	Very low	112 Å²	112	89.4 Å²	89.4	42%	0.423	45%	0.45	S	S	.	.	H	α-helix	trans	-60.7	-47.8	174.6	-64.9	-170.3	-89.4	156.5	-3.9	112.6	T369 P370 M371 R376 G377 H379	T369-R374 HydrophobicContact CG2-CG 4.03Å; T369-R374 PolarHBondContact O-NE 3.42Å; P370-R374 PolarHBondContact O-N 3.06Å; M371-R374 PolarHBondContact O-N 3.17Å; R374-R376 PolarHBondContact O-N 2.89Å; R374-G377 PolarHBondContact O-N 2.71Å; R374-H379 PolarHBondContact O-CE1 3.45Å; R374-H379 PolarHBondContact O-NE2 2.91Å
375	K	36.6	Very low	34.6	Very low	174 Å²	174	87.1 Å²	87.1	76%	0.757	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-15.9	177	-77.6	-175.3	177.8	-176	0	114.1	M371	M371-K375 WeakPolarHBondContact O-CG 3.41Å; M371-K375 PolarHBondContact O-N 3Å
376	R	40.7	Very low	34.7	Very low	143 Å²	143	85.5 Å²	85.5	54%	0.54	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.4	6.7	-176.7	-75.9	-176.2	167.7	152.5	-2.2	114.5	W372 M373 R374 L378	W372-R376 WeakPolarHBondContact O-CG 3.39Å; W372-R376 PolarHBondContact O-N 2.94Å; M373-R376 PolarHBondContact O-N 2.91Å; M373-R376 VanDerWaalsContact O-N 3.15Å; R374-R376 PolarHBondContact O-N 2.89Å; R376-L378 HydrophobicContact CB-CD1 3.96Å; R376-L378 HydrophobicContact CB-CG 4.36Å; R376-L378 PolarHBondContact O-N 2.95Å
377	G	35.6	Very low	35.1	Very low	33 Å²	33	86.5 Å²	86.5	34%	0.34	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.6	0.7	-175.9	0	0	0	0	0	114.4	M373 R374 H379	M373-G377 PolarHBondContact O-N 2.81Å; R374-G377 PolarHBondContact O-N 2.71Å; G377-H379 VanDerWaalsContact CA-CE1 3.42Å; G377-H379 WeakPolarHBondContact CA-CE1 3.34Å; G377-H379 PolarHBondContact O-N 2.79Å; G377-H379 PolarHBondContact O-ND1 3.49Å
378	L	36	Very low	34.9	Very low	29 Å²	29	87 Å²	87	15%	0.152	44%	0.439	C	S	.	.			trans	-83	42.2	-177.7	-69.6	159.6	0	0	0	112	A103 V104 W372 M373 R376 G380	A103-L378 HydrophobicContact CB-CD2 4.18Å; A103-L378 VanDerWaalsContact O-CD2 3.25Å; A103-L378 WeakPolarHBondContact O-CD2 3.22Å; V104-L378 HydrophobicContact CG2-CD2 4.22Å; W372-L378 HydrophobicContact CZ3-CD1 4.35Å; M373-L378 HydrophobicContact CB-CB 4.01Å; M373-L378 HydrophobicContact CG-CB 4.34Å; M373-L378 WeakPolarHBondContact O-CB 3.38Å; M373-L378 PolarHBondContact O-N 2.99Å; R376-L378 HydrophobicContact CB-CD1 3.96Å; R376-L378 HydrophobicContact CB-CG 4.36Å; R376-L378 PolarHBondContact O-N 2.95Å; L378-G380 PolarHBondContact O-N 3.47Å
379	H	38	Very low	35.2	Very low	109 Å²	109	92.6 Å²	92.6	51%	0.505	45%	0.452	S	S	.	.			trans	-76.3	-13.4	178.3	-38.7	92.9	0	0	0	112.8	R374 G377 S381	R374-H379 PolarHBondContact O-CE1 3.45Å; R374-H379 PolarHBondContact O-NE2 2.91Å; G377-H379 VanDerWaalsContact CA-CE1 3.42Å; G377-H379 WeakPolarHBondContact CA-CE1 3.34Å; G377-H379 PolarHBondContact O-N 2.79Å; G377-H379 PolarHBondContact O-ND1 3.49Å; H379-S381 PolarHBondContact O-N 2.91Å
380	G	33.2	Very low	34.9	Very low	22 Å²	22	96.1 Å²	96.1	23%	0.227	47%	0.473	C	S	.	.			trans	-80.8	38.9	178.8	0	0	0	0	0	113.5	L378 Y382	L378-G380 PolarHBondContact O-N 3.47Å; G380-Y382 VanDerWaalsContact C-N 3.27Å; G380-Y382 PolarHBondContact O-N 2.91Å
381	S	33.8	Very low	34.3	Very low	59 Å²	59	99.8 Å²	99.8	41%	0.413	49%	0.49	S	S	.	.			trans	-61.7	102.6	161.7	58.1	0	0	0	0	106.1	H379 R383	H379-S381 PolarHBondContact O-N 2.91Å; S381-R383 PolarHBondContact O-N 3.4Å
382	Y	34.5	Very low	34	Very low	41 Å²	41	103.9 Å²	103.9	16%	0.161	51%	0.505	C	S	.	.			trans	-35.9	104.1	179.1	-55.4	-74	0	0	0	110.6	L108 M109 F112 E270 G380	L108-Y382 VanDerWaalsContact O-CE2 3.26Å; L108-Y382 WeakPolarHBondContact O-CE2 2.87Å; M109-Y382 PolarHBondContact SD-OH 3.08Å; F112-Y382 HydrophobicContact CB-CD1 3.6Å; F112-Y382 HydrophobicContact CB-CD2 4.04Å; F112-Y382 HydrophobicContact CB-CE1 3.23Å; F112-Y382 HydrophobicContact CB-CE2 3.7Å; F112-Y382 HydrophobicContact CB-CG 3.97Å; F112-Y382 HydrophobicContact CD1-CE1 4.35Å; F112-Y382 AromaticContact CD2-CD1 3.6Å; F112-Y382 HydrophobicContact CD2-CD1 3.6Å; F112-Y382 AromaticContact CD2-CE1 3.33Å; F112-Y382 HydrophobicContact CD2-CE1 3.33Å; F112-Y382 HydrophobicContact CE2-CE1 4.24Å; F112-Y382 AromaticContact CG-CD1 3.94Å; F112-Y382 HydrophobicContact CG-CD1 3.94Å; F112-Y382 AromaticContact CG-CE1 3.39Å; F112-Y382 HydrophobicContact CG-CE1 3.39Å; F112-Y382 AromaticContact CG-CZ 3.78Å; E270-Y382 HydrophobicContact CG-CD1 4.49Å; G380-Y382 VanDerWaalsContact C-N 3.27Å; G380-Y382 PolarHBondContact O-N 2.91Å
383	R	29.8	Very low	33	Very low	153 Å²	153	109.4 Å²	109.4	58%	0.577	53%	0.525	S	S	*	.			trans	-127.8	106.7	172.1	-172.1	-179.6	-166.7	-174.7	5.5	107.4	L271 S381 V385	L271-R383 WeakPolarHBondContact CD2-O 3.44Å; S381-R383 PolarHBondContact O-N 3.4Å; R383-V385 HydrophobicContact CG-CG2 4.15Å; R383-V385 PolarHBondContact O-N 2.8Å
384	Y	26.2	Very low	32.4	Very low	106 Å²	106	119.3 Å²	119.3	42%	0.416	56%	0.562	S	S	.	*			trans	-64.6	105.5	157.2	-145.5	-94.1	0	0	0	107.2	S386	Y384-S386 PolarHBondContact O-N 3.15Å
385	V	25.4	Very low	31.7	Very low	82 Å²	82	120.6 Å²	120.6	50%	0.497	59%	0.587	S	S	.	*			trans	-76.6	103.7	166.4	-178.7	0	0	0	0	104.9	R383 N387	R383-V385 HydrophobicContact CG-CG2 4.15Å; R383-V385 PolarHBondContact O-N 2.8Å; V385-N387 PolarHBondContact O-N 2.65Å
386	S	27	Very low	31.1	Very low	88 Å²	88	120.9 Å²	120.9	62%	0.615	59%	0.588	S	S	*	*			trans	-56.8	137.5	166.9	63.3	0	0	0	0	108.2	Y384 S388	Y384-S386 PolarHBondContact O-N 3.15Å; S386-S388 PolarHBondContact O-N 3.47Å
387	N	31.9	Very low	30.1	Very low	141 Å²	141	125.5 Å²	125.5	75%	0.754	61%	0.605	S	S	*	*			trans	-63.7	72.6	-179.8	-92.8	-27.8	0	0	0	111.6	V385	V385-N387 PolarHBondContact O-N 2.65Å
388	S	29.2	Very low	29.7	Very low	80 Å²	80	131.7 Å²	131.7	56%	0.559	63%	0.629	S	S	*	*			trans	-92.5	112.2	161.6	160.7	0	0	0	0	106.8	S386 T390	S386-S388 PolarHBondContact O-N 3.47Å; S388-T390 PolarHBondContact O-N 3.21Å; S388-T390 PolarHBondContact OG-OG1 3.24Å
389	R	40.8	Very low	29.3	Very low	245 Å²	245	138.3 Å²	138.3	93%	0.925	66%	0.659	S	S	*	*	S	Bend	trans	-66.1	32.1	-175.9	-92.6	-175.3	172.2	179	0.1	114.9
390	T	32.6	Very low	28.6	Very low	114 Å²	114	138.4 Å²	138.4	70%	0.699	67%	0.671	S	S	*	*			trans	-131.4	64.4	-179.4	60.3	0	0	0	0	112.4	S388	S388-T390 PolarHBondContact O-N 3.21Å; S388-T390 PolarHBondContact OG-OG1 3.24Å
391	D	28.9	Very low	28.4	Very low	127 Å²	127	145.4 Å²	145.4	68%	0.679	70%	0.703	S	S	*	*			trans	-129.9	82.9	148.1	-150.4	-13.4	0	0	0	109.9	R393	D391-R393 PolarHBondContact O-N 2.88Å; D391-R393 WeakPolarHBondContact OD1-CG 3.44Å; D391-R393 IonicContact OD1-NE 3.85Å
392	K	30.8	Very low	28	Very low	205 Å²	205	147.4 Å²	147.4	89%	0.891	72%	0.717	S	S	*	*			trans	-76.7	70	171.6	-73.2	-178.8	178.8	172.9	0	109.1
393	R	27.1	Very low	27.5	Very low	218 Å²	218	151.5 Å²	151.5	82%	0.823	75%	0.746	S	S	*	*			trans	-106.9	83.5	162.8	-72.7	-176.3	-170.1	-165.7	3.2	110.2	D391	D391-R393 PolarHBondContact O-N 2.88Å; D391-R393 WeakPolarHBondContact OD1-CG 3.44Å; D391-R393 IonicContact OD1-NE 3.85Å
394	R	23	Very low	27.5	Very low	225 Å²	225	151.1 Å²	151.1	85%	0.849	76%	0.755	S	S	*	*			trans	70.7	54.8	139.8	-135.7	179	-164.2	-175.6	4.1	117.8	K396	R394-K396 PolarHBondContact O-N 2.84Å
395	C	24.5	Very low	27.5	Very low	139 Å²	139	151.1 Å²	151.1	94%	0.939	77%	0.768	S	S	*	*			trans	-74.8	108.2	147.2	-92.7	0	0	0	0	108.7	R397	C395-R397 PolarHBondContact O-N 2.87Å
396	K	23	Very low	28.2	Very low	179 Å²	179	153.1 Å²	153.1	78%	0.778	78%	0.783	S	S	*	*			trans	-62.3	128	170.9	-84.3	-179.8	175.5	177.9	0	109.1	R394 I398	R394-K396 PolarHBondContact O-N 2.84Å; K396-I398 PolarHBondContact O-N 2.97Å
397	R	20.1	Very low	28.4	Very low	240 Å²	240	155 Å²	155	91%	0.906	80%	0.796	S	S	*	*			trans	-52.1	115.4	173.3	-174	-175.4	-87.1	172.3	-9.9	110.1	C395	C395-R397 PolarHBondContact O-N 2.87Å
398	I	28	Very low	28.3	Very low	164 Å²	164	157.9 Å²	157.9	84%	0.841	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-101.5	135.7	161.5	-61.4	178.4	0	0	0	107.1	K396	K396-I398 PolarHBondContact O-N 2.97Å
399	H	27.4	Very low	28.7	Very low	168 Å²	168	160 Å²	160	78%	0.778	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-53.9	139.6	-163.3	-83.3	-96.6	0	0	0	115.2	L401	H399-L401 PolarHBondContact O-N 2.91Å
400	S	23.6	Very low	28.3	Very low	110 Å²	110	153.9 Å²	153.9	77%	0.769	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-53.5	117.5	160.5	50.9	0	0	0	0	110.7
401	L	27.7	Very low	28.1	Very low	170 Å²	170	155.8 Å²	155.8	89%	0.89	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-92.3	133.8	159.3	-80.6	164.6	0	0	0	108.5	H399	H399-L401 PolarHBondContact O-N 2.91Å
402	S	26.7	Very low	28.2	Very low	101 Å²	101	158.9 Å²	158.9	71%	0.706	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-70.4	142.9	-164.6	93.2	0	0	0	0	111.8
403	V	24.3	Very low	27.9	Very low	127 Å²	127	157.4 Å²	157.4	77%	0.77	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-80.9	120.1	167.9	178.6	0	0	0	0	107
404	N	29.7	Very low	28	Very low	144 Å²	144	156.6 Å²	156.6	77%	0.77	83%	0.831	S	S	*	*			trans	-107.3	123.4	157.8	-79.3	-26.2	0	0	0	108.4
405	P	26.6	Very low	28.1	Very low	107 Å²	107	149.9 Å²	149.9	70%	0.695	82%	0.824	S	S	*	*			trans	-91.9	-170.5	172.9	40.3	-34.1	0	0	0	110.2
406	P	38.4	Very low	28.2	Very low	124 Å²	124	148.5 Å²	148.5	81%	0.805	82%	0.815	S	S	*	*				-122.8	169.9	-70	37	-22.5	0	0	0	111.5
407	S	32.1	Very low	28.5	Very low	126 Å²	126	146.6 Å²	146.6	88%	0.881	82%	0.818	S	S	*	*			trans	-141.7	137	156	58.6	0	0	0	0	112
408	K	30.4	Very low	28.7	Very low	203 Å²	203	142.8 Å²	142.8	88%	0.883	82%	0.815	S	S	*	*			trans	-71.9	171.7	-172.8	-98.6	-177.2	179.7	-179.7	0	113.9
409	P	36.6	Very low	28.7	Very low	123 Å²	123	140.4 Å²	140.4	80%	0.799	81%	0.81	S	S	*	*			trans	-92.4	154.1	-157.9	37.1	-33	0	0	0	112.9
410	S	33.1	Very low	28.6	Very low	117 Å²	117	141.4 Å²	141.4	82%	0.818	82%	0.815	S	S	*	*			trans	-132.5	119.1	161.8	56.6	0	0	0	0	109.3
411	D	27	Very low	28.7	Very low	154 Å²	154	144.3 Å²	144.3	82%	0.824	81%	0.809	S	S	*	*			trans	-55.7	131.7	161.2	-66.3	-53.3	0	0	0	110
412	Q	31.9	Very low	28.7	Very low	193 Å²	193	140.3 Å²	140.3	90%	0.902	80%	0.8	S	S	*	*			trans	-169.3	120.8	139.7	-104.6	164.4	60	0	0	110.1
413	L	23.7	Very low	28.6	Very low	173 Å²	173	142.2 Å²	142.2	91%	0.906	80%	0.803	S	S	*	*			trans	-56.4	129.1	157.3	-95.1	76.3	0	0	0	108.5
414	E	30.2	Very low	28.6	Very low	201 Å²	201	140.2 Å²	140.2	94%	0.939	79%	0.786	S	S	*	*			trans	-156.9	151.6	141.4	-118.3	177.1	-161.4	0	0	111.6
415	A	25.9	Very low	28.2	Very low	85 Å²	85	142.4 Å²	142.4	70%	0.702	79%	0.789	S	S	*	*			trans	-80.5	155.6	-159.4	0	0	0	0	0	114.5
416	S	25.3	Very low	28.1	Very low	109 Å²	109	143.5 Å²	143.5	76%	0.762	79%	0.789	S	S	*	*			trans	52.7	89.4	147.4	62.2	0	0	0	0	118.7
417	V	28.6	Very low	27.4	Very low	139 Å²	139	146 Å²	146	84%	0.842	79%	0.79	S	S	*	*			trans	-138.8	114.8	134.3	-178.6	0	0	0	0	107.2	P419	V417-P419 WeakPolarHBondContact O-CD 3.48Å
418	I	26	Very low	27	Very low	161 Å²	161	145.9 Å²	145.9	83%	0.826	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-68.6	119.3	172.3	-62.9	171.5	0	0	0	106.6	E420	I418-E420 PolarHBondContact O-N 3.43Å
419	P	26.9	Very low	26.7	Very low	114 Å²	114	141.3 Å²	141.3	74%	0.74	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-69.9	133.2	-175.8	-13	27	0	0	0	110.5	V417	V417-P419 WeakPolarHBondContact O-CD 3.48Å
420	E	25.7	Very low	26.3	Very low	188 Å²	188	142.9 Å²	142.9	88%	0.879	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-53.9	141.5	168.5	-148.2	171.8	-165.1	0	0	110.4	I418 A422	I418-E420 PolarHBondContact O-N 3.43Å; E420-A422 PolarHBondContact O-N 3.4Å; E420-A422 VanDerWaalsContact O-N 3.14Å
421	R	24.9	Very low	26	Very low	172 Å²	172	145.7 Å²	145.7	65%	0.649	78%	0.777	S	S	*	*			trans	-51.6	115.8	-176.7	-92.7	174.9	172.1	171.4	-6.9	111.3	S301 T302 D423	S301-R421 PolarHBondContact O-NH2 3.43Å; S301-R421 VanDerWaalsContact O-NH2 3.12Å; T302-R421 VanDerWaalsContact CG2-NE 3.27Å; T302-R421 PolarHBondContact OG1-NH2 2.61Å; R421-D423 PolarHBondContact O-N 2.91Å
422	A	27.9	Very low	26.1	Very low	85 Å²	85	141.2 Å²	141.2	70%	0.702	77%	0.768	S	S	*	*			trans	-75.7	114.1	163.2	0	0	0	0	0	109.8	E420 I424	E420-A422 PolarHBondContact O-N 3.4Å; E420-A422 VanDerWaalsContact O-N 3.14Å; A422-I424 PolarHBondContact O-N 2.83Å
423	D	24.5	Very low	25.9	Very low	142 Å²	142	135.4 Å²	135.4	76%	0.759	76%	0.76	S	S	*	*			trans	-62.9	119.6	166.3	-82.5	-36.1	0	0	0	110	R421 K425	R421-D423 PolarHBondContact O-N 2.91Å; D423-K425 PolarHBondContact O-N 2.72Å
424	I	25.6	Very low	26.1	Very low	84 Å²	84	135.5 Å²	135.5	43%	0.431	76%	0.76	S	S	.	*			trans	-86.1	97.2	169.6	-57.2	179.1	0	0	0	107.4	N305 A422	N305-I424 WeakPolarHBondContact ND2-CD1 3.44Å; A422-I424 PolarHBondContact O-N 2.83Å
425	K	21.5	Very low	25.9	Very low	191 Å²	191	133.8 Å²	133.8	83%	0.83	76%	0.757	S	S	*	*			trans	-74.6	119.6	160.6	-96.9	-179.5	176	175.9	0	108.6	D423 E427	D423-K425 PolarHBondContact O-N 2.72Å; K425-E427 PolarHBondContact O-N 2.87Å
426	L	24.7	Very low	26	Very low	130 Å²	130	136.6 Å²	136.6	68%	0.681	76%	0.76	S	S	*	*			trans	-79.4	106.7	162.1	-69.1	166	0	0	0	106.9	C428	L426-C428 PolarHBondContact O-N 2.81Å
427	E	21.7	Very low	26	Very low	177 Å²	177	140.5 Å²	140.5	83%	0.827	77%	0.766	S	S	*	*			trans	-68.4	119.8	171.2	-83.6	-175.2	155.5	0	0	109.9	K425 V429	K425-E427 PolarHBondContact O-N 2.87Å; E427-V429 PolarHBondContact O-N 3.22Å
428	C	24.8	Very low	26	Very low	122 Å²	122	138.2 Å²	138.2	82%	0.824	76%	0.756	S	S	*	*			trans	-70.1	111.8	157.3	-71.3	0	0	0	0	107.1	L426 D430	L426-C428 PolarHBondContact O-N 2.81Å; C428-D430 VanDerWaalsContact C-N 3.29Å; C428-D430 PolarHBondContact O-N 2.93Å
429	V	24.6	Very low	26.2	Very low	107 Å²	107	138.5 Å²	138.5	65%	0.648	76%	0.76	S	S	*	*			trans	-74.4	93.9	163.4	-177.1	0	0	0	0	106.2	E427 H431	E427-V429 PolarHBondContact O-N 3.22Å; V429-H431 PolarHBondContact O-N 3.21Å; V429-H431 VanDerWaalsContact O-N 3.11Å
430	D	26.7	Very low	26.1	Very low	156 Å²	156	140.3 Å²	140.3	83%	0.834	76%	0.763	S	S	*	*			trans	-67.3	105.3	167.7	-122.6	-15.5	0	0	0	106.8	C428 G432	C428-D430 VanDerWaalsContact C-N 3.29Å; C428-D430 PolarHBondContact O-N 2.93Å; D430-G432 PolarHBondContact O-N 3.14Å
431	H	28.6	Very low	26.3	Very low	176 Å²	176	140.4 Å²	140.4	82%	0.815	76%	0.761	S	S	*	*			trans	-74.1	64.5	167.3	-75.9	-60.5	0	0	0	109	V429 G433	V429-H431 PolarHBondContact O-N 3.21Å; V429-H431 VanDerWaalsContact O-N 3.11Å; H431-G433 PolarHBondContact O-N 3.06Å; H431-G433 VanDerWaalsContact O-N 3.08Å
432	G	27.6	Very low	26.2	Very low	60 Å²	60	138.8 Å²	138.8	62%	0.619	77%	0.77	S	S	*	*			trans	-67.4	100.3	164	0	0	0	0	0	108.1	D430 L434	D430-G432 PolarHBondContact O-N 3.14Å; G432-L434 PolarHBondContact O-N 2.91Å; G432-L434 VanDerWaalsContact O-N 3.16Å
433	G	29	Very low	26.2	Very low	72 Å²	72	140.5 Å²	140.5	74%	0.742	78%	0.777	S	S	*	*			trans	-57.3	115.9	173.3	0	0	0	0	0	110.5	H431 L435	H431-G433 PolarHBondContact O-N 3.06Å; H431-G433 VanDerWaalsContact O-N 3.08Å; G433-L435 PolarHBondContact O-N 3.42Å
434	L	26.4	Very low	26.2	Very low	175 Å²	175	143 Å²	143	92%	0.916	78%	0.781	S	S	*	*			trans	-68.6	99.1	155	-108.1	90.2	0	0	0	107.9	G432	G432-L434 PolarHBondContact O-N 2.91Å; G432-L434 VanDerWaalsContact O-N 3.16Å
435	L	26.8	Very low	26	Very low	165 Å²	165	146.7 Å²	146.7	86%	0.864	80%	0.8	S	S	*	*			trans	-145.8	116.6	153.8	-63.8	175.8	0	0	0	102.4	G433	G433-L435 PolarHBondContact O-N 3.42Å
436	D	28.1	Very low	26.3	Very low	144 Å²	144	143.6 Å²	143.6	77%	0.77	79%	0.792	S	S	*	*			cis	-163.7	139.6	39.7	-159.3	-6.4	0	0	0	108.7	S438	D436-S438 PolarHBondContact O-N 3.11Å
437	E	26	Very low	26.2	Very low	191 Å²	191	143.9 Å²	143.9	89%	0.893	80%	0.799	S	S	*	*			trans	-73.1	97.9	168.4	-77.6	179.7	139.3	0	0	108.4
438	S	27.9	Very low	26.8	Very low	90 Å²	90	142.7 Å²	142.7	63%	0.629	80%	0.798	S	S	*	*			trans	-177.8	95.5	151	37.5	0	0	0	0	110.6	D436	D436-S438 PolarHBondContact O-N 3.11Å
439	D	30.4	Very low	27.2	Very low	168 Å²	168	148.5 Å²	148.5	90%	0.898	82%	0.819	S	S	*	*				-171.3	126.9	117.9	-103.1	-27.2	0	0	0	111.9
440	N	25.7	Very low	27.3	Very low	152 Å²	152	150.6 Å²	150.6	81%	0.813	83%	0.827	S	S	*	*			trans	-49.7	130.9	163.8	-88.4	-47	0	0	0	111.4
441	K	28.3	Very low	27.4	Very low	190 Å²	190	150.3 Å²	150.3	83%	0.826	83%	0.827	S	S	*	*				-178.7	119.2	119.5	-98.2	161.5	-174.8	176.5	0	111.8
442	T	23.5	Very low	27.3	Very low	137 Å²	137	148.9 Å²	148.9	84%	0.84	83%	0.828	S	S	*	*			trans	-25.1	127	152.2	36.2	0	0	0	0	115
443	S	28.7	Very low	27.3	Very low	122 Å²	122	154.1 Å²	154.1	85%	0.853	84%	0.84	S	S	*	*			trans	-153.2	99	147.9	-67.5	0	0	0	0	108.8
444	K	22.8	Very low	27.2	Very low	195 Å²	195	159.3 Å²	159.3	85%	0.848	85%	0.846	S	S	*	*			trans	-64.8	172.9	158.6	-76	179.3	171.9	178.5	0	109.6
445	L	22.6	Very low	27.2	Very low	160 Å²	160	158.2 Å²	158.2	84%	0.838	84%	0.841	S	S	*	*			trans	94.5	129.8	161	-70.5	149.4	0	0	0	113.5
446	I	26.8	Very low	27.2	Very low	127 Å²	127	157.7 Å²	157.7	65%	0.651	84%	0.84	S	S	*	*			cis	-153.9	138.8	15.1	-62.6	-168	0	0	0	109.6
447	T	23.5	Very low	27.2	Very low	135 Å²	135	158.8 Å²	158.8	83%	0.828	85%	0.845	S	S	*	*			trans	-69.1	116.4	156.2	41.4	0	0	0	0	110.3
448	N	33.8	Very low	27.3	Very low	152 Å²	152	156.1 Å²	156.1	81%	0.813	84%	0.841	S	S	*	*			trans	-93.5	140	160.5	-85.4	-19.3	0	0	0	109.2
449	I	33.4	Very low	27.2	Very low	245 Å²	245	162.1 Å²	162.1	100%	1.256	86%	0.86	S	S	*	*			trans	-42.7	0	-175	-63.7	163.6	0	0	0	113.7

Retrieved 449 of 449 residues in 151.6 ms (Link to these results)

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