A0A087Y525_POEFO Loading...

Metalloproteinase inhibitor 4

AlphaFold DB , UniProt , Accession A0A087Y525, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 224 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	48.9	Very low	55.2	Low	219 Å²	219	123.5 Å²	123.5	100%	1.079	68%	0.68	S	S	*	*				0	-27.7	0	-76	178.3	-120.7	0	0	113.5	L3	M1-L3 PolarHBondContact O-N 3.44Å
2	A	49.3	Very low	56.4	Low	78 Å²	78	116.1 Å²	116.1	65%	0.645	65%	0.652	S	S	*	*	H	α-helix	trans	-64.4	-36.7	178.6	0	0	0	0	0	115.3	S4 Q5	A2-S4 VanDerWaalsContact C-N 3.34Å; A2-S4 PolarHBondContact O-N 2.95Å; A2-Q5 PolarHBondContact O-N 3.2Å
3	L	46.5	Very low	57.1	Low	137 Å²	137	116.2 Å²	116.2	72%	0.717	65%	0.649	S	S	*	*	H	α-helix	trans	-67.8	-23.2	-177.8	-93.1	113.2	0	0	0	115.4	M1	M1-L3 PolarHBondContact O-N 3.44Å
4	S	49.8	Very low	58	Low	87 Å²	87	113.4 Å²	113.4	61%	0.608	64%	0.636	S	S	*	*	H	α-helix	trans	-84.3	-22.4	178.3	85.6	0	0	0	0	112.3	A2 S8	A2-S4 VanDerWaalsContact C-N 3.34Å; A2-S4 PolarHBondContact O-N 2.95Å; S4-S8 PolarHBondContact O-N 2.75Å
5	Q	51.9	Low	58.7	Low	150 Å²	150	111.1 Å²	111.1	70%	0.701	63%	0.626	S	S	*	*	H	α-helix	trans	-78	-37.3	-178	-161.9	152.4	3.5	0	0	111.3	A2 S8 A9	A2-Q5 PolarHBondContact O-N 3.2Å; Q5-S8 PolarHBondContact O-N 2.84Å; Q5-A9 PolarHBondContact O-N 2.68Å; Q5-A9 VanDerWaalsContact O-N 3.14Å
6	E	53.3	Low	59	Low	151 Å²	151	112.4 Å²	112.4	71%	0.706	63%	0.63	S	S	*	*	H	α-helix	trans	-68	-37.1	174.4	-64.1	-153.2	132.2	0	0	113	S8 A9 C10	E6-S8 PolarHBondContact O-N 2.88Å; E6-A9 PolarHBondContact O-N 3.14Å; E6-C10 PolarHBondContact O-N 3.41Å
7	R	58.1	Low	59.2	Low	183 Å²	183	112.6 Å²	112.6	69%	0.691	63%	0.629	S	S	*	*	H	α-helix	trans	-65.3	-38.4	176.3	-73.1	-176.3	174.3	-165.8	-1.6	112.4	L11	R7-L11 WeakPolarHBondContact O-CB 2.99Å; R7-L11 WeakPolarHBondContact O-CD1 3.49Å; R7-L11 WeakPolarHBondContact O-CG 3.35Å; R7-L11 PolarHBondContact O-N 2.93Å
8	S	59.8	Low	59.3	Low	84 Å²	84	113.3 Å²	113.3	59%	0.587	63%	0.63	S	S	*	*	H	α-helix	trans	-70	-38.1	178.2	-172	0	0	0	0	111.9	S4 Q5 E6 L11 G12	S4-S8 PolarHBondContact O-N 2.75Å; Q5-S8 PolarHBondContact O-N 2.84Å; E6-S8 PolarHBondContact O-N 2.88Å; S8-L11 PolarHBondContact O-N 2.94Å; S8-G12 PolarHBondContact O-N 2.81Å
9	A	62.3	Low	59.3	Low	64 Å²	64	114.4 Å²	114.4	53%	0.529	63%	0.634	S	S	.	*	H	α-helix	trans	-65.4	-43.8	174.2	0	0	0	0	0	112.3	Q5 E6 G12 L13	Q5-A9 PolarHBondContact O-N 2.68Å; Q5-A9 VanDerWaalsContact O-N 3.14Å; E6-A9 PolarHBondContact O-N 3.14Å; A9-G12 PolarHBondContact O-N 2.8Å; A9-L13 PolarHBondContact O-N 3.48Å
10	C	64.2	Low	59.3	Low	88 Å²	88	111.4 Å²	111.4	60%	0.595	63%	0.63	S	S	*	*	H	α-helix	trans	-61.5	-43.1	174.9	-96.6	0	0	0	0	112.5	E6 L13 V14	E6-C10 PolarHBondContact O-N 3.41Å; C10-L13 PolarHBondContact O-N 2.85Å; C10-V14 VanDerWaalsContact O-CG2 3.28Å; C10-V14 WeakPolarHBondContact O-CG2 3.34Å; C10-V14 PolarHBondContact O-N 3.43Å
11	L	63.6	Low	59.1	Low	118 Å²	118	109.9 Å²	109.9	62%	0.618	63%	0.632	S	S	*	*	H	α-helix	trans	-64.1	-41.3	176.5	-80.1	160.4	0	0	0	111.8	R7 S8 L13 V14 V15	R7-L11 WeakPolarHBondContact O-CB 2.99Å; R7-L11 WeakPolarHBondContact O-CD1 3.49Å; R7-L11 WeakPolarHBondContact O-CG 3.35Å; R7-L11 PolarHBondContact O-N 2.93Å; S8-L11 PolarHBondContact O-N 2.94Å; L11-L13 VanDerWaalsContact C-N 3.34Å; L11-L13 PolarHBondContact O-N 2.89Å; L11-V14 PolarHBondContact O-N 2.79Å; L11-V15 WeakPolarHBondContact O-CB 3.44Å; L11-V15 VanDerWaalsContact O-CG2 3.25Å; L11-V15 WeakPolarHBondContact O-CG2 3.47Å; L11-V15 PolarHBondContact O-N 3.2Å
12	G	68.7	Low	59.2	Low	34 Å²	34	102.4 Å²	102.4	35%	0.351	61%	0.611	S	S	.	*	H	α-helix	trans	-61.7	-41.2	174.9	0	0	0	0	0	112.6	S8 A9 V15 L16	S8-G12 PolarHBondContact O-N 2.81Å; A9-G12 PolarHBondContact O-N 2.8Å; G12-V15 PolarHBondContact O-N 2.87Å; G12-L16 WeakPolarHBondContact O-CB 3.33Å; G12-L16 PolarHBondContact O-N 2.94Å
13	L	65.6	Low	59.3	Low	117 Å²	117	105.6 Å²	105.6	61%	0.613	62%	0.616	S	S	*	*	H	α-helix	trans	-68.3	-39.4	178.9	-141.2	111.6	0	0	0	112.2	A9 C10 L11 L16 L17	A9-L13 PolarHBondContact O-N 3.48Å; C10-L13 PolarHBondContact O-N 2.85Å; L11-L13 VanDerWaalsContact C-N 3.34Å; L11-L13 PolarHBondContact O-N 2.89Å; L13-L16 PolarHBondContact O-N 3.34Å; L13-L17 HydrophobicContact CD2-CD1 4.15Å; L13-L17 WeakPolarHBondContact O-CB 3.25Å; L13-L17 WeakPolarHBondContact O-CG 3.28Å; L13-L17 PolarHBondContact O-N 2.92Å
14	V	70.3	Confident	59.3	Low	78 Å²	78	107.3 Å²	107.3	47%	0.473	62%	0.621	S	S	.	*	H	α-helix	trans	-66.5	-40.9	175.6	171	0	0	0	0	111.1	C10 L11 L17 L18	C10-V14 VanDerWaalsContact O-CG2 3.28Å; C10-V14 WeakPolarHBondContact O-CG2 3.34Å; C10-V14 PolarHBondContact O-N 3.43Å; L11-V14 PolarHBondContact O-N 2.79Å; V14-L17 PolarHBondContact O-N 3.23Å; V14-L18 HydrophobicContact CG1-CD1 3.82Å; V14-L18 HydrophobicContact CG1-CG 4.41Å; V14-L18 WeakPolarHBondContact O-CB 3.46Å; V14-L18 VanDerWaalsContact O-CG 3.25Å; V14-L18 WeakPolarHBondContact O-CG 3.18Å; V14-L18 PolarHBondContact O-N 3.48Å
15	V	68.4	Low	59	Low	79 Å²	79	109.9 Å²	109.9	48%	0.479	63%	0.627	S	S	.	*	H	α-helix	trans	-65.6	-39.9	175.8	170.9	0	0	0	0	111.4	L11 G12 L18 L19	L11-V15 WeakPolarHBondContact O-CB 3.44Å; L11-V15 VanDerWaalsContact O-CG2 3.25Å; L11-V15 WeakPolarHBondContact O-CG2 3.47Å; L11-V15 PolarHBondContact O-N 3.2Å; G12-V15 PolarHBondContact O-N 2.87Å; V15-L18 PolarHBondContact O-N 3.29Å; V15-L19 HydrophobicContact CG1-CD1 3.78Å; V15-L19 WeakPolarHBondContact O-CB 3.28Å; V15-L19 WeakPolarHBondContact O-CG 3.49Å; V15-L19 PolarHBondContact O-N 2.86Å
16	L	63.3	Low	58.8	Low	132 Å²	132	109.4 Å²	109.4	69%	0.691	64%	0.635	S	S	*	*	H	α-helix	trans	-65.2	-39.2	174	-103.6	126.5	0	0	0	112.7	G12 L13 L19 G20	G12-L16 WeakPolarHBondContact O-CB 3.33Å; G12-L16 PolarHBondContact O-N 2.94Å; L13-L16 PolarHBondContact O-N 3.34Å; L16-L19 PolarHBondContact O-N 3.31Å; L16-G20 PolarHBondContact O-N 2.96Å
17	L	62.3	Low	58.9	Low	116 Å²	116	107.6 Å²	107.6	61%	0.607	63%	0.634	S	S	*	*	H	α-helix	trans	-66.8	-38.4	175	-80.9	162	0	0	0	112.2	L13 V14 A21	L13-L17 HydrophobicContact CD2-CD1 4.15Å; L13-L17 WeakPolarHBondContact O-CB 3.25Å; L13-L17 WeakPolarHBondContact O-CG 3.28Å; L13-L17 PolarHBondContact O-N 2.92Å; V14-L17 PolarHBondContact O-N 3.23Å; L17-A21 PolarHBondContact O-N 3.09Å
18	L	61.6	Low	58.9	Low	125 Å²	125	107.4 Å²	107.4	65%	0.654	64%	0.64	S	S	*	*	H	α-helix	trans	-71.3	-33.6	176.9	-72.5	167.9	0	0	0	112.6	V14 V15	V14-L18 HydrophobicContact CG1-CD1 3.82Å; V14-L18 HydrophobicContact CG1-CG 4.41Å; V14-L18 WeakPolarHBondContact O-CB 3.46Å; V14-L18 VanDerWaalsContact O-CG 3.25Å; V14-L18 WeakPolarHBondContact O-CG 3.18Å; V14-L18 PolarHBondContact O-N 3.48Å; V15-L18 PolarHBondContact O-N 3.29Å
19	L	59.3	Low	59.8	Low	133 Å²	133	105.5 Å²	105.5	70%	0.696	63%	0.634	S	S	*	*	H	α-helix	trans	-75.9	-31.3	175	-75.4	164	0	0	0	112.6	V15 L16	V15-L19 HydrophobicContact CG1-CD1 3.78Å; V15-L19 WeakPolarHBondContact O-CB 3.28Å; V15-L19 WeakPolarHBondContact O-CG 3.49Å; V15-L19 PolarHBondContact O-N 2.86Å; L16-L19 PolarHBondContact O-N 3.31Å
20	G	58.2	Low	61.2	Low	54 Å²	54	103.9 Å²	103.9	56%	0.557	62%	0.619	S	S	*	*	H	α-helix	trans	-76.3	-21.9	177.2	0	0	0	0	0	114.6	L16 G22	L16-G20 PolarHBondContact O-N 2.96Å; G20-G22 VanDerWaalsContact C-N 3.32Å; G20-G22 PolarHBondContact O-N 3.21Å
21	A	56.4	Low	62.6	Low	81 Å²	81	105 Å²	105	67%	0.669	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.7	-5.9	-179.7	0	0	0	0	0	114.3	L17	L17-A21 PolarHBondContact O-N 3.09Å
22	G	51.3	Low	64	Low	62 Å²	62	101.7 Å²	101.7	64%	0.639	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.4	1.1	-176.3	0	0	0	0	0	115.5	G20 E24	G20-G22 VanDerWaalsContact C-N 3.32Å; G20-G22 PolarHBondContact O-N 3.21Å; G22-E24 VanDerWaalsContact C-N 3.25Å; G22-E24 PolarHBondContact O-N 3.48Å
23	L	50.1	Low	65.1	Low	145 Å²	145	107.3 Å²	107.3	76%	0.759	63%	0.63	S	S	*	*			trans	-88.5	72.8	170	-67.8	168.8	0	0	0	108.1	D25	L23-D25 VanDerWaalsContact C-N 3.29Å; L23-D25 PolarHBondContact O-N 3.06Å
24	E	46.3	Very low	66.3	Low	173 Å²	173	103.6 Å²	103.6	81%	0.808	61%	0.613	S	S	*	*			trans	-62.4	104.6	153	-68	-175.9	144.2	0	0	105.3	G22 V26	G22-E24 VanDerWaalsContact C-N 3.25Å; G22-E24 PolarHBondContact O-N 3.48Å; E24-V26 VanDerWaalsContact C-N 3.32Å; E24-V26 PolarHBondContact O-N 3.17Å
25	D	44.5	Very low	67.6	Low	140 Å²	140	101.4 Å²	101.4	75%	0.749	60%	0.602	S	S	*	*			trans	-51.5	104.2	167.9	-73.8	-44.2	0	0	0	106.8	L23 V27	L23-D25 VanDerWaalsContact C-N 3.29Å; L23-D25 PolarHBondContact O-N 3.06Å; D25-V27 HydrophobicContact CB-CG2 3.93Å; D25-V27 PolarHBondContact O-N 2.8Å
26	V	47.4	Very low	68.9	Low	141 Å²	141	97.7 Å²	97.7	86%	0.855	58%	0.579	S	S	*	*			trans	-70.1	79.9	163.9	-167.1	0	0	0	0	104.3	E24 E28	E24-V26 VanDerWaalsContact C-N 3.32Å; E24-V26 PolarHBondContact O-N 3.17Å; V26-E28 VanDerWaalsContact C-N 3.34Å; V26-E28 PolarHBondContact O-N 2.86Å
27	V	55.9	Low	70.6	Confident	113 Å²	113	92.1 Å²	92.1	69%	0.685	55%	0.55	S	S	*	*			trans	-62.5	104.8	174.1	-179.4	0	0	0	0	105.3	D25 G29	D25-V27 HydrophobicContact CB-CG2 3.93Å; D25-V27 PolarHBondContact O-N 2.8Å; V27-G29 PolarHBondContact O-N 3.07Å
28	E	56.5	Low	72.3	Confident	178 Å²	178	86.7 Å²	86.7	83%	0.832	52%	0.522	S	S	*	.			trans	-55.9	111.3	177.2	-158.1	171.3	-175.5	0	0	107.9	V26	V26-E28 VanDerWaalsContact C-N 3.34Å; V26-E28 PolarHBondContact O-N 2.86Å
29	G	80.6	Confident	74	Confident	44 Å²	44	83.4 Å²	83.4	45%	0.454	50%	0.504	S	S	.	.			trans	-79.2	-170.4	-178	0	0	0	0	0	112.4	V27 S31	V27-G29 PolarHBondContact O-N 3.07Å; G29-S31 PolarHBondContact O-N 3.34Å
30	C	91.8	Very high	75.8	Confident	31 Å²	31	78.4 Å²	78.4	21%	0.209	48%	0.477	C	S	.	.			trans	-63.1	128.6	168	176.7	0	0	0	0	110	S99 S100 C102	C30-S99 VanDerWaalsContact CB-O 3.32Å; C30-S99 WeakPolarHBondContact CB-O 3.21Å; C30-S100 PolarHBondContact N-O 3.06Å; C30-C102 HydrophobicContact CB-CB 3.9Å; C30-C102 WeakPolarHBondContact CB-SG 3.04Å; C30-C102 WeakPolarHBondContact SG-CA 3.4Å; C30-C102 WeakPolarHBondContact SG-CB 3.05Å; C30-C102 CovalentContact SG-SG 2.03Å; C30-C102 PolarHBondContact SG-SG 2.69Å
31	S	93.4	Very high	77.7	Confident	110 Å²	110	76 Å²	76	77%	0.769	45%	0.451	S	S	*	.			trans	-119.5	126.9	172.9	-174	0	0	0	0	109.8	G29	G29-S31 PolarHBondContact O-N 3.34Å
32	C	92.7	Very high	79.7	Confident	50 Å²	50	73.8 Å²	73.8	34%	0.338	43%	0.431	S	S	.	.			trans	-110.6	144.8	-176.9	-60.3	0	0	0	0	110.8	P34 C131	C32-P34 WeakPolarHBondContact O-CD 3.49Å; C32-C131 WeakPolarHBondContact CA-SG 3.29Å; C32-C131 HydrophobicContact CB-CB 3.66Å; C32-C131 WeakPolarHBondContact CB-SG 3.29Å; C32-C131 WeakPolarHBondContact SG-CA 3.41Å; C32-C131 WeakPolarHBondContact SG-CB 3.3Å; C32-C131 PolarHBondContact SG-N 3.29Å; C32-C131 CovalentContact SG-SG 2.04Å; C32-C131 PolarHBondContact SG-SG 2.98Å
33	H	91.8	Very high	81.9	Confident	152 Å²	152	75 Å²	75	70%	0.704	43%	0.43	S	S	*	.			trans	-74.4	121.3	171.2	-171.7	75	0	0	0	110.2	S35	H33-S35 PolarHBondContact O-N 3.02Å; H33-S35 VanDerWaalsContact O-N 3.11Å; H33-S35 PolarHBondContact O-OG 3.12Å
34	P	91.3	Very high	84.1	Confident	38 Å²	38	68.3 Å²	68.3	25%	0.247	40%	0.395	C	S	.	.			trans	-53.4	118.3	176.2	-31.9	41.1	0	0	0	111.8	C32 Y164 L187	C32-P34 WeakPolarHBondContact O-CD 3.49Å; P34-Y164 VanDerWaalsContact CB-OH 3.24Å; P34-Y164 WeakPolarHBondContact CB-OH 3.38Å; P34-Y164 VanDerWaalsContact CG-OH 3.27Å; P34-Y164 WeakPolarHBondContact CG-OH 3.38Å; P34-L187 HydrophobicContact CB-CD1 3.58Å; P34-L187 HydrophobicContact CB-CD2 4.18Å; P34-L187 HydrophobicContact CG-CD1 3.89Å
35	S	95.7	Very high	86.5	Confident	33 Å²	33	62.5 Å²	62.5	23%	0.231	37%	0.368	C	S	.	.			trans	-138.9	134.6	-175.2	-60.2	0	0	0	0	110.1	H33	H33-S35 PolarHBondContact O-N 3.02Å; H33-S35 VanDerWaalsContact O-N 3.11Å; H33-S35 PolarHBondContact O-OG 3.12Å
36	H	97.4	Very high	89	Confident	0 Å²	0	56 Å²	56	0%	0	33%	0.333	C	S	.	.			trans	-63.2	147.7	174.1	-177.9	-90.4	0	0	0	109.8	Q38 Q39 L40 I160 W178 Q191 A192 W207	H36-Q38 WeakPolarHBondContact ND1-CB 3.5Å; H36-Q38 PolarHBondContact ND1-N 3.15Å; H36-Q38 VanDerWaalsContact ND1-N 3.11Å; H36-Q38 PolarHBondContact O-N 2.92Å; H36-Q39 WeakPolarHBondContact O-CA 3.27Å; H36-Q39 WeakPolarHBondContact O-CB 3.23Å; H36-Q39 PolarHBondContact O-N 2.81Å; H36-L40 PolarHBondContact O-N 2.79Å; H36-L40 VanDerWaalsContact O-N 3.16Å; H36-I160 HydrophobicContact CB-CD1 3.98Å; H36-I160 HydrophobicContact CB-CG2 4.03Å; H36-W178 HydrophobicContact CB-CD2 4.33Å; H36-W178 HydrophobicContact CB-CE3 4.18Å; H36-W178 HydrophobicContact CB-CH2 4.47Å; H36-W178 HydrophobicContact CB-CZ3 4.27Å; H36-Q191 PolarHBondContact NE2-O 2.71Å; H36-A192 WeakPolarHBondContact NE2-CA 3.35Å; H36-W207 AromaticContact CD2-CH2 3.79Å; H36-W207 AromaticContact CE1-CZ3 3.96Å; H36-W207 AromaticContact NE2-CH2 3.72Å; H36-W207 AromaticContact NE2-CZ3 3.71Å
37	P	97.7	Very high	91.4	Very high	15 Å²	15	49.2 Å²	49.2	10%	0.097	29%	0.292	C	S	.	.	H	α-helix	trans	-52.2	-32.6	-179.9	-31.2	37.1	0	0	0	114.6	F41 L133 A192	P37-F41 WeakPolarHBondContact O-CB 3.4Å; P37-F41 PolarHBondContact O-N 3.27Å; P37-L133 HydrophobicContact CB-CD1 4.03Å; P37-A192 HydrophobicContact CG-CB 4.45Å
38	Q	98.1	Very high	93.4	Very high	2 Å²	2	44 Å²	44	1%	0.009	26%	0.26	C	S	.	.	H	α-helix	trans	-63.8	-43.1	172.2	-176.6	173.4	-33.1	0	0	113.1	H36 F41 C42 Y152 G155 I160 C197	H36-Q38 WeakPolarHBondContact ND1-CB 3.5Å; H36-Q38 PolarHBondContact ND1-N 3.15Å; H36-Q38 VanDerWaalsContact ND1-N 3.11Å; H36-Q38 PolarHBondContact O-N 2.92Å; Q38-F41 WeakPolarHBondContact O-CB 3.43Å; Q38-F41 PolarHBondContact O-N 3.18Å; Q38-C42 WeakPolarHBondContact O-CB 3.5Å; Q38-C42 PolarHBondContact O-N 2.86Å; Q38-C42 PolarHBondContact O-SG 3.06Å; Q38-Y152 HydrophobicContact CB-CD1 3.48Å; Q38-Y152 VanDerWaalsContact CB-CD1 3.48Å; Q38-Y152 HydrophobicContact CB-CE1 3.79Å; Q38-Y152 HydrophobicContact CB-CG 4.14Å; Q38-Y152 HydrophobicContact CG-CD1 3.64Å; Q38-Y152 HydrophobicContact CG-CE1 4.42Å; Q38-Y152 HydrophobicContact CG-CG 4.15Å; Q38-G155 VanDerWaalsContact NE2-CA 3.32Å; Q38-G155 PolarHBondContact NE2-O 3.06Å; Q38-I160 HydrophobicContact CB-CD1 3.95Å; Q38-I160 HydrophobicContact CG-CD1 4.27Å; Q38-C197 PolarHBondContact NE2-O 3.04Å; Q38-C197 PolarHBondContact OE1-O 3.1Å
39	Q	97.7	Very high	95.4	Very high	57 Å²	57	38.3 Å²	38.3	27%	0.266	23%	0.231	S	C	.	.	H	α-helix	trans	-64.3	-43.6	178	-73.2	170.8	-64.1	0	0	110.5	H36 F41 C42 S43 I160	H36-Q39 WeakPolarHBondContact O-CA 3.27Å; H36-Q39 WeakPolarHBondContact O-CB 3.23Å; H36-Q39 PolarHBondContact O-N 2.81Å; Q39-F41 VanDerWaalsContact C-N 3.32Å; Q39-F41 PolarHBondContact O-N 2.82Å; Q39-C42 PolarHBondContact O-N 3.21Å; Q39-C42 VanDerWaalsContact O-N 3.08Å; Q39-S43 PolarHBondContact O-N 3.02Å; Q39-S43 PolarHBondContact O-OG 2.86Å; Q39-S43 VanDerWaalsContact O-OG 3.13Å; Q39-I160 HydrophobicContact CG-CB 4.11Å; Q39-I160 HydrophobicContact CG-CD1 4.25Å; Q39-I160 HydrophobicContact CG-CG1 4.44Å; Q39-I160 PolarHBondContact NE2-O 2.94Å
40	L	97.7	Very high	96.2	Very high	28 Å²	28	36.2 Å²	36.2	15%	0.147	21%	0.209	C	C	.	.	H	α-helix	trans	-60.2	-41.4	174.3	-63.3	176.8	0	0	0	111.8	H36 C42 S43 A44 C131 L133	H36-L40 PolarHBondContact O-N 2.79Å; H36-L40 VanDerWaalsContact O-N 3.16Å; L40-C42 VanDerWaalsContact C-N 3.34Å; L40-C42 PolarHBondContact O-N 2.92Å; L40-S43 PolarHBondContact O-OG 3.03Å; L40-A44 WeakPolarHBondContact O-CB 3.34Å; L40-A44 PolarHBondContact O-N 3.49Å; L40-C131 VanDerWaalsContact CD2-O 3.3Å; L40-C131 WeakPolarHBondContact CD2-O 3.47Å; L40-L133 HydrophobicContact CB-CB 4.12Å; L40-L133 HydrophobicContact CD1-CB 4.37Å; L40-L133 HydrophobicContact CD1-CD1 4.23Å
41	F	98.3	Very high	96.5	Very high	2 Å²	2	38.8 Å²	38.8	1%	0.009	22%	0.217	C	C	.	.	H	α-helix	trans	-61.2	-42.1	172.6	179.9	-81.1	0	0	0	112.1	P37 Q38 Q39 V47 F81 K82 L148 Y152 Q153	P37-F41 WeakPolarHBondContact O-CB 3.4Å; P37-F41 PolarHBondContact O-N 3.27Å; Q38-F41 WeakPolarHBondContact O-CB 3.43Å; Q38-F41 PolarHBondContact O-N 3.18Å; Q39-F41 VanDerWaalsContact C-N 3.32Å; Q39-F41 PolarHBondContact O-N 2.82Å; F41-V47 HydrophobicContact CD2-CB 4.16Å; F41-V47 HydrophobicContact CD2-CG1 3.96Å; F41-V47 HydrophobicContact CD2-CG2 3.79Å; F41-V47 HydrophobicContact CE2-CB 4.08Å; F41-V47 HydrophobicContact CE2-CG1 4.08Å; F41-V47 HydrophobicContact CE2-CG2 4.06Å; F41-V47 HydrophobicContact CG-CG2 4.36Å; F41-F81 HydrophobicContact CE2-CB 4.02Å; F41-K82 HydrophobicContact CD1-CD 4.47Å; F41-K82 HydrophobicContact CE1-CD 4.09Å; F41-K82 HydrophobicContact CE2-CB 4.31Å; F41-K82 HydrophobicContact CZ-CB 3.99Å; F41-K82 HydrophobicContact CZ-CD 4.31Å; F41-K82 WeakPolarHBondContact O-CD 3.46Å; F41-K82 PolarHBondContact O-NZ 3.05Å; F41-L148 HydrophobicContact CD2-CD2 3.83Å; F41-L148 HydrophobicContact CE2-CD2 4.18Å; F41-Y152 HydrophobicContact CB-CD2 4.06Å; F41-Y152 HydrophobicContact CB-CG 4.36Å; F41-Y152 VanDerWaalsContact CD1-CB 3.49Å; F41-Y152 HydrophobicContact CD2-CD2 4.04Å; F41-Y152 HydrophobicContact CG-CD2 4.02Å; F41-Y152 HydrophobicContact CG-CG 4.28Å; F41-Q153 HydrophobicContact CE1-CB 3.94Å; F41-Q153 HydrophobicContact CZ-CB 4.45Å
42	C	97.5	Very high	96.7	Very high	35 Å²	35	34.1 Å²	34.1	24%	0.236	18%	0.184	C	C	.	.	H	α-helix	trans	-73.4	-36.7	-176.6	-67.9	0	0	0	0	113	Q38 Q39 L40 K82 C156	Q38-C42 WeakPolarHBondContact O-CB 3.5Å; Q38-C42 PolarHBondContact O-N 2.86Å; Q38-C42 PolarHBondContact O-SG 3.06Å; Q39-C42 PolarHBondContact O-N 3.21Å; Q39-C42 VanDerWaalsContact O-N 3.08Å; L40-C42 VanDerWaalsContact C-N 3.34Å; L40-C42 PolarHBondContact O-N 2.92Å; C42-K82 VanDerWaalsContact C-NZ 3.31Å; C42-K82 PolarHBondContact O-NZ 3.12Å; C42-C156 VanDerWaalsContact CA-SG 3.52Å; C42-C156 HydrophobicContact CB-CB 3.81Å; C42-C156 WeakPolarHBondContact CB-SG 2.98Å; C42-C156 WeakPolarHBondContact SG-CA 3.28Å; C42-C156 WeakPolarHBondContact SG-CB 3.05Å; C42-C156 CovalentContact SG-SG 2.05Å; C42-C156 PolarHBondContact SG-SG 2.9Å
43	S	96.5	Very high	96.9	Very high	89 Å²	89	34 Å²	34	62%	0.622	18%	0.183	S	C	*	.	H	α-helix	trans	-78	-28.5	176.4	60.3	0	0	0	0	113.3	Q39 L40	Q39-S43 PolarHBondContact O-N 3.02Å; Q39-S43 PolarHBondContact O-OG 2.86Å; Q39-S43 VanDerWaalsContact O-OG 3.13Å; L40-S43 PolarHBondContact O-OG 3.03Å
44	A	97.3	Very high	97.1	Very high	3 Å²	3	28 Å²	28	3%	0.025	16%	0.162	C	C	.	.			trans	-65.5	146.4	180	0	0	0	0	0	112.7	L40 V47 K82	L40-A44 WeakPolarHBondContact O-CB 3.34Å; L40-A44 PolarHBondContact O-N 3.49Å; A44-V47 HydrophobicContact CB-CG2 3.94Å; A44-K82 VanDerWaalsContact O-CE 3.28Å; A44-K82 WeakPolarHBondContact O-CE 3.32Å; A44-K82 PolarHBondContact O-NZ 3.4Å
45	E	96.4	Very high	97.4	Very high	52 Å²	52	32.2 Å²	32.2	24%	0.243	18%	0.178	C	C	.	.	S	Bend	trans	-86.3	-31.8	177.4	-61.2	-169.9	128.2	0	0	111.6	R86 G118 M120	E45-R86 IonicContact OE1-CZ 3.36Å; E45-R86 IonicContact OE1-NH1 3.57Å; E45-R86 PolarHBondContact OE1-NH1 2.52Å; E45-R86 IonicContact OE1-NH2 3.42Å; E45-R86 PolarHBondContact OE1-NH2 2.81Å; E45-R86 IonicContact OE2-NH1 3.58Å; E45-R86 PolarHBondContact OE2-NH1 3.15Å; E45-G118 PolarHBondContact N-O 3.12Å; E45-M120 WeakPolarHBondContact OE2-CA 3.29Å; E45-M120 VanDerWaalsContact OE2-CB 3.24Å; E45-M120 WeakPolarHBondContact OE2-CB 3.33Å; E45-M120 PolarHBondContact OE2-N 3.35Å
46	I	97.3	Very high	97.4	Very high	2 Å²	2	35.9 Å²	35.9	1%	0.01	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	141.4	176.5	-58	-63.2	0	0	0	109.1	I48 R86 I90 S117 G118 M120 I126	I46-I48 HydrophobicContact CG2-CG2 3.7Å; I46-R86 HydrophobicContact CD1-CB 4Å; I46-I90 HydrophobicContact CD1-CD1 4.45Å; I46-I90 HydrophobicContact CG1-CD1 4.46Å; I46-I90 HydrophobicContact CG2-CD1 3.61Å; I46-S117 VanDerWaalsContact O-CA 3.27Å; I46-S117 WeakPolarHBondContact O-CA 3.32Å; I46-G118 PolarHBondContact N-O 2.95Å; I46-G118 PolarHBondContact O-N 3.45Å; I46-G118 VanDerWaalsContact O-N 3.08Å; I46-M120 HydrophobicContact CD1-CE 3.89Å; I46-M120 HydrophobicContact CG1-CE 4.04Å; I46-I126 HydrophobicContact CB-CD1 4.47Å; I46-I126 HydrophobicContact CG1-CD1 3.91Å; I46-I126 HydrophobicContact CG1-CG1 4.34Å; I46-I126 HydrophobicContact CG2-CD1 4.39Å
47	V	98.2	Very high	97.2	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	118.8	168.6	-174.9	0	0	0	0	109.1	F41 A44 F81 K82 L115 L116 L148	F41-V47 HydrophobicContact CD2-CB 4.16Å; F41-V47 HydrophobicContact CD2-CG1 3.96Å; F41-V47 HydrophobicContact CD2-CG2 3.79Å; F41-V47 HydrophobicContact CE2-CB 4.08Å; F41-V47 HydrophobicContact CE2-CG1 4.08Å; F41-V47 HydrophobicContact CE2-CG2 4.06Å; F41-V47 HydrophobicContact CG-CG2 4.36Å; A44-V47 HydrophobicContact CB-CG2 3.94Å; V47-F81 HydrophobicContact CB-CB 4.3Å; V47-F81 HydrophobicContact CG1-CB 4.21Å; V47-F81 HydrophobicContact CG1-CD2 4.25Å; V47-F81 PolarHBondContact O-N 2.92Å; V47-K82 HydrophobicContact CB-CB 3.89Å; V47-K82 HydrophobicContact CG2-CB 3.92Å; V47-K82 HydrophobicContact CG2-CD 4.23Å; V47-K82 PolarHBondContact N-O 3.45Å; V47-K82 PolarHBondContact O-N 3.3Å; V47-L115 HydrophobicContact CG1-CD1 3.75Å; V47-L116 WeakPolarHBondContact CA-O 3.33Å; V47-L148 HydrophobicContact CG1-CD2 4.28Å
48	I	97.9	Very high	97	Very high	3 Å²	3	42.2 Å²	42.2	2%	0.015	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	153.3	-175.1	60	176.3	0	0	0	111.8	I46 A50 I75 M77 K79 M80 I90 L116	I46-I48 HydrophobicContact CG2-CG2 3.7Å; I48-A50 HydrophobicContact CD1-CB 4.34Å; I48-I75 HydrophobicContact CD1-CD1 3.41Å; I48-I75 VanDerWaalsContact CD1-CD1 3.41Å; I48-M77 HydrophobicContact CB-CG 4.39Å; I48-M77 HydrophobicContact CG2-CE 4.25Å; I48-M77 HydrophobicContact CG2-CG 4.41Å; I48-M77 HydrophobicContact CG2-SD 4.13Å; I48-K79 CarbonylContact C-O 3.51Å; I48-K79 WeakPolarHBondContact CA-O 3.18Å; I48-M80 HydrophobicContact CG2-CB 4.11Å; I48-M80 HydrophobicContact CG2-CE 3.92Å; I48-M80 HydrophobicContact CG2-CG 4Å; I48-I90 HydrophobicContact CD1-CD1 4.41Å; I48-I90 HydrophobicContact CG2-CD1 4.21Å; I48-L116 HydrophobicContact CG1-CB 4.06Å; I48-L116 PolarHBondContact N-O 3.01Å; I48-L116 PolarHBondContact O-N 2.96Å
49	R	98	Very high	96.4	Very high	58 Å²	58	44.8 Å²	44.8	22%	0.219	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	126.1	159.5	-178.3	-173.7	179.3	-171.1	-0.6	108.6	I78 K79 F81 A112 Y114 W137	R49-I78 HydrophobicContact CG-CB 4.27Å; R49-I78 HydrophobicContact CG-CD1 4.14Å; R49-I78 WeakPolarHBondContact O-CB 3.27Å; R49-I78 PolarHBondContact O-N 2.7Å; R49-K79 HydrophobicContact CB-CB 4.4Å; R49-K79 PolarHBondContact N-O 3.31Å; R49-K79 PolarHBondContact O-N 3.23Å; R49-K79 VanDerWaalsContact O-N 3.14Å; R49-F81 HydrophobicContact CB-CE2 3.9Å; R49-A112 PolarHBondContact NE-O 2.91Å; R49-A112 PolarHBondContact NH2-O 3.06Å; R49-Y114 CarbonylContact C-O 3.59Å; R49-Y114 VanDerWaalsContact CA-O 3.23Å; R49-Y114 WeakPolarHBondContact CA-O 3.34Å; R49-W137 HydrophobicContact CB-CE3 4.31Å; R49-W137 HydrophobicContact CB-CZ3 4.32Å; R49-W137 HydrophobicContact CG-CD2 4.18Å; R49-W137 HydrophobicContact CG-CE3 3.84Å; R49-W137 HydrophobicContact CG-CZ3 4.29Å; R49-W137 VanDerWaalsContact CZ-NE1 3.32Å
50	A	97.9	Very high	95.2	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	159.4	-179.5	0	0	0	0	0	112.6	I48 I75 K76 G113 Y114 L116	I48-A50 HydrophobicContact CD1-CB 4.34Å; A50-I75 HydrophobicContact CB-CB 4.03Å; A50-I75 HydrophobicContact CB-CD1 3.83Å; A50-I75 HydrophobicContact CB-CG1 4.43Å; A50-K76 WeakPolarHBondContact CA-O 3.46Å; A50-G113 CarbonylContact O-C 3.54Å; A50-G113 VanDerWaalsContact O-CA 3.28Å; A50-G113 WeakPolarHBondContact O-CA 3.35Å; A50-Y114 PolarHBondContact N-O 2.64Å; A50-Y114 PolarHBondContact O-N 2.67Å; A50-L116 HydrophobicContact CB-CD1 4.33Å
51	K	97.9	Very high	93.9	Very high	86 Å²	86	47.3 Å²	47.3	37%	0.374	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	146.7	168	-70.2	-179.7	-174.8	-163.4	0	109.9	I75 K76 I78 K111	K51-I75 CarbonylContact O-C 3.5Å; K51-I75 VanDerWaalsContact O-CA 3.25Å; K51-I75 WeakPolarHBondContact O-CA 3.48Å; K51-K76 PolarHBondContact N-O 3.41Å; K51-K76 PolarHBondContact O-N 2.85Å; K51-I78 HydrophobicContact CD-CD1 4.32Å; K51-I78 HydrophobicContact CG-CD1 3.87Å; K51-K111 WeakPolarHBondContact CE-O 3.14Å; K51-K111 PolarHBondContact NZ-O 3.21Å
52	I	97.9	Very high	92.6	Very high	12 Å²	12	56 Å²	56	6%	0.062	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	125.3	173.5	-50.6	-49.7	0	0	0	108.3	Y73 I75 L106 Y114	I52-Y73 HydrophobicContact CG2-CD1 3.55Å; I52-Y73 HydrophobicContact CG2-CE1 4.18Å; I52-Y73 HydrophobicContact CG2-CG 4.42Å; I52-I75 HydrophobicContact CD1-CG2 3.65Å; I52-L106 HydrophobicContact CD1-CB 4.27Å; I52-L106 HydrophobicContact CD1-CD1 3.7Å; I52-L106 HydrophobicContact CG1-CB 3.82Å; I52-L106 HydrophobicContact CG1-CD1 4.2Å; I52-Y114 HydrophobicContact CD1-CD2 4.49Å; I52-Y114 HydrophobicContact CG1-CD2 4.01Å; I52-Y114 HydrophobicContact CG1-CE2 4.1Å
53	S	96.6	Very high	91.4	Very high	48 Å²	48	56.5 Å²	56.5	34%	0.336	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	-21.5	176.3	48.7	0	0	0	0	113.2	E74	S53-E74 PolarHBondContact N-O 3.02Å; S53-E74 WeakPolarHBondContact OG-CG 2.83Å; S53-E74 PolarHBondContact OG-O 2.81Å; S53-E74 PolarHBondContact OG-OE1 3.32Å
54	G	96.2	Very high	90.5	Very high	24 Å²	24	57.9 Å²	57.9	25%	0.247	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.6	165.4	177.6	0	0	0	0	0	112	Y73 E74	G54-Y73 WeakPolarHBondContact O-CA 3.37Å; G54-E74 PolarHBondContact N-O 2.83Å; G54-E74 PolarHBondContact O-N 2.77Å
55	E	96.3	Very high	89.7	Confident	128 Å²	128	59.4 Å²	59.4	60%	0.598	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-137.2	146.3	172.7	65.8	174.6	-159.5	0	0	110.2	I71 Q72 Y73	E55-I71 HydrophobicContact CB-CG2 4.11Å; E55-Q72 WeakPolarHBondContact CA-O 3.44Å; E55-Y73 HydrophobicContact CB-CD1 3.67Å; E55-Y73 HydrophobicContact CB-CE1 3.58Å; E55-Y73 HydrophobicContact CG-CE1 4.43Å; E55-Y73 WeakPolarHBondContact OE2-CE1 3.41Å; E55-Y73 PolarHBondContact OE2-OH 2.81Å
56	K	95.9	Very high	88.9	Confident	110 Å²	110	59.7 Å²	59.7	48%	0.478	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	144.2	170.5	64.7	-179.6	-174.6	-177.1	0	110.3	V58 Q72	K56-V58 HydrophobicContact CD-CG1 4.22Å; K56-V58 HydrophobicContact CG-CG1 4.01Å; K56-Q72 HydrophobicContact CG-CB 3.98Å; K56-Q72 HydrophobicContact CG-CG 4.48Å; K56-Q72 PolarHBondContact N-O 2.82Å; K56-Q72 PolarHBondContact O-N 3.12Å
57	I	94.6	Very high	88	Confident	113 Å²	113	66.7 Å²	66.7	58%	0.579	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.2	126.6	173.8	-59.5	176.8	0	0	0	108.2	K69 M70 V97	I57-K69 HydrophobicContact CG2-CB 3.93Å; I57-K69 HydrophobicContact CG2-CD 4.04Å; I57-K69 HydrophobicContact CG2-CG 4.37Å; I57-M70 CarbonylContact C-O 3.57Å; I57-M70 WeakPolarHBondContact CA-O 3.19Å; I57-V97 HydrophobicContact CG2-CG2 4.28Å
58	V	92.8	Very high	87.3	Confident	35 Å²	35	72 Å²	72	21%	0.212	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	150.9	177.3	-60.8	0	0	0	0	110.3	K56 M70 Q72 Y94	K56-V58 HydrophobicContact CD-CG1 4.22Å; K56-V58 HydrophobicContact CG-CG1 4.01Å; V58-M70 HydrophobicContact CG2-CB 4.12Å; V58-M70 PolarHBondContact N-O 3.06Å; V58-M70 PolarHBondContact O-N 3.33Å; V58-Q72 HydrophobicContact CG1-CB 4.08Å; V58-Q72 HydrophobicContact CG2-CB 4.02Å; V58-Y94 HydrophobicContact CG2-CD1 4.15Å; V58-Y94 HydrophobicContact CG2-CE1 4.09Å
59	S	86.6	Confident	87	Confident	55 Å²	55	75.7 Å²	75.7	39%	0.385	41%	0.412	S	S	.	.			trans	-109.1	121.7	170.7	-61.3	0	0	0	0	108.4	S61	S59-S61 WeakPolarHBondContact CB-O 3.48Å; S59-S61 PolarHBondContact O-N 3.2Å
60	P	70.9	Confident	86.9	Confident	82 Å²	82	73.9 Å²	73.9	53%	0.532	41%	0.406	S	S	.	.	S	Bend	trans	-63	-19.1	175.2	-19.5	31.6	0	0	0	113.2	M68 M70	P60-M68 WeakPolarHBondContact CD-O 3.45Å; P60-M70 HydrophobicContact CG-CG 3.76Å
61	S	70.8	Confident	86.8	Confident	56 Å²	56	74.6 Å²	74.6	39%	0.392	41%	0.41	S	S	.	.	S	Bend	trans	-134.9	162	177.2	59.1	0	0	0	0	110.1	S59 S63	S59-S61 WeakPolarHBondContact CB-O 3.48Å; S59-S61 PolarHBondContact O-N 3.2Å; S61-S63 PolarHBondContact O-N 3.06Å; S61-S63 VanDerWaalsContact OG-CB 3.24Å; S61-S63 WeakPolarHBondContact OG-CB 3.4Å; S61-S63 PolarHBondContact OG-N 3.25Å
62	N	70.3	Confident	86.8	Confident	184 Å²	184	71.2 Å²	71.2	98%	0.984	40%	0.395	S	S	*	.	S	Bend	trans	-67.6	18.9	169.5	-70.9	-23.5	0	0	0	113.1
63	S	72.8	Confident	86.8	Confident	47 Å²	47	70.7 Å²	70.7	33%	0.329	39%	0.393	S	S	.	.			trans	-68.1	134	175.7	-174.3	0	0	0	0	110.3	S61 S65	S61-S63 PolarHBondContact O-N 3.06Å; S61-S63 VanDerWaalsContact OG-CB 3.24Å; S61-S63 WeakPolarHBondContact OG-CB 3.4Å; S61-S63 PolarHBondContact OG-N 3.25Å; S63-S65 PolarHBondContact O-N 3.46Å; S63-S65 WeakPolarHBondContact OG-CB 3.34Å; S63-S65 PolarHBondContact OG-N 3.02Å
64	S	77.8	Confident	86.8	Confident	117 Å²	117	72.6 Å²	72.6	82%	0.818	40%	0.396	S	S	*	.			trans	-75	-6.6	170.1	52.4	0	0	0	0	112.9
65	S	81.4	Confident	86.9	Confident	35 Å²	35	71.9 Å²	71.9	25%	0.245	39%	0.387	C	S	.	.			trans	-66.1	123.5	-177.2	-178.6	0	0	0	0	111.3	S63 Y67 M68	S63-S65 PolarHBondContact O-N 3.46Å; S63-S65 WeakPolarHBondContact OG-CB 3.34Å; S63-S65 PolarHBondContact OG-N 3.02Å; S65-Y67 PolarHBondContact O-N 3.38Å; S65-Y67 PolarHBondContact OG-N 3.08Å; S65-M68 PolarHBondContact O-N 2.86Å
66	P	78.3	Confident	87	Confident	58 Å²	58	72.4 Å²	72.4	38%	0.377	39%	0.387	S	S	.	.	G	3₁₀ helix	trans	-64.2	-27.4	176.7	27	-33.7	0	0	0	112.2	M68 K69 F98	P66-M68 PolarHBondContact O-N 2.83Å; P66-K69 WeakPolarHBondContact O-CB 3.39Å; P66-K69 PolarHBondContact O-N 2.85Å; P66-F98 HydrophobicContact CB-CE2 4.25Å; P66-F98 HydrophobicContact CB-CZ 4.36Å; P66-F98 WeakPolarHBondContact O-CE2 3.34Å
67	Y	79.8	Confident	87	Confident	150 Å²	150	69.8 Å²	69.8	59%	0.588	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	-72.2	-16.5	-179	-59.1	-72.8	0	0	0	113.9	S65 F98 L101	S65-Y67 PolarHBondContact O-N 3.38Å; S65-Y67 PolarHBondContact OG-N 3.08Å; Y67-F98 HydrophobicContact CD1-CD2 4.01Å; Y67-F98 HydrophobicContact CD1-CE2 4.04Å; Y67-F98 HydrophobicContact CE1-CD2 4.46Å; Y67-F98 HydrophobicContact CE1-CE2 4.36Å; Y67-L101 HydrophobicContact CD1-CD1 4.42Å; Y67-L101 WeakPolarHBondContact O-CD1 3.49Å
68	M	83.1	Confident	87.1	Confident	110 Å²	110	68.2 Å²	68.2	54%	0.542	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-91	-3.3	174.9	-66.5	-64.3	-165.1	0	0	112.3	P60 S65 P66	P60-M68 WeakPolarHBondContact CD-O 3.45Å; S65-M68 PolarHBondContact O-N 2.86Å; P66-M68 PolarHBondContact O-N 2.83Å
69	K	91.4	Very high	87.3	Confident	81 Å²	81	71 Å²	71	35%	0.352	38%	0.378	S	S	.	.			trans	-76.9	137.4	179.9	-63.9	-177	-180	180	0	110.3	I57 P66 V97	I57-K69 HydrophobicContact CG2-CB 3.93Å; I57-K69 HydrophobicContact CG2-CD 4.04Å; I57-K69 HydrophobicContact CG2-CG 4.37Å; P66-K69 WeakPolarHBondContact O-CB 3.39Å; P66-K69 PolarHBondContact O-N 2.85Å; K69-V97 HydrophobicContact CB-CG2 3.89Å; K69-V97 VanDerWaalsContact O-CG2 3.31Å; K69-V97 WeakPolarHBondContact O-CG2 3.24Å; K69-V97 PolarHBondContact O-N 3.04Å
70	M	94.7	Very high	87.8	Confident	21 Å²	21	69.2 Å²	69.2	10%	0.103	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	147.5	177.2	-57.8	-65.1	-81.6	0	0	109.1	I57 V58 P60 T95 P96 W121	I57-M70 CarbonylContact C-O 3.57Å; I57-M70 WeakPolarHBondContact CA-O 3.19Å; V58-M70 HydrophobicContact CG2-CB 4.12Å; V58-M70 PolarHBondContact N-O 3.06Å; V58-M70 PolarHBondContact O-N 3.33Å; P60-M70 HydrophobicContact CG-CG 3.76Å; M70-T95 CarbonylContact C-O 3.55Å; M70-T95 WeakPolarHBondContact CA-O 3.32Å; M70-T95 VanDerWaalsContact CE-C 3.5Å; M70-P96 HydrophobicContact CE-CG 4.04Å; M70-P96 HydrophobicContact SD-CB 4.28Å; M70-P96 HydrophobicContact SD-CG 4.04Å; M70-W121 HydrophobicContact CE-CH2 3.69Å; M70-W121 HydrophobicContact CE-CZ2 3.92Å
71	I	96.4	Very high	89	Confident	14 Å²	14	66.2 Å²	66.2	7%	0.072	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	124.2	163.3	-49.9	174.7	0	0	0	106.7	E55 Y73 Y94 T95 V97	E55-I71 HydrophobicContact CB-CG2 4.11Å; I71-Y73 HydrophobicContact CB-CE2 4.11Å; I71-Y73 HydrophobicContact CG2-CD1 4.39Å; I71-Y73 HydrophobicContact CG2-CD2 4.03Å; I71-Y73 HydrophobicContact CG2-CE1 4.03Å; I71-Y73 HydrophobicContact CG2-CE2 3.63Å; I71-Y73 HydrophobicContact CG2-CG 4.39Å; I71-Y94 VanDerWaalsContact O-CA 3.32Å; I71-Y94 WeakPolarHBondContact O-CA 3.4Å; I71-T95 HydrophobicContact CB-CG2 3.94Å; I71-T95 HydrophobicContact CD1-CG2 4.48Å; I71-T95 PolarHBondContact N-O 3.18Å; I71-T95 PolarHBondContact O-N 2.05Å; I71-V97 HydrophobicContact CG1-CB 4.37Å; I71-V97 HydrophobicContact CG1-CG2 3.71Å
72	Q	97.4	Very high	90.3	Very high	15 Å²	15	65.3 Å²	65.3	7%	0.07	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	112.9	167	179.1	174.6	2.2	0	0	108.2	E55 K56 V58 Y92 Y94	E55-Q72 WeakPolarHBondContact CA-O 3.44Å; K56-Q72 HydrophobicContact CG-CB 3.98Å; K56-Q72 HydrophobicContact CG-CG 4.48Å; K56-Q72 PolarHBondContact N-O 2.82Å; K56-Q72 PolarHBondContact O-N 3.12Å; V58-Q72 HydrophobicContact CG1-CB 4.08Å; V58-Q72 HydrophobicContact CG2-CB 4.02Å; Q72-Y92 HydrophobicContact CG-CD1 3.96Å; Q72-Y92 HydrophobicContact CG-CG 4.28Å; Q72-Y94 HydrophobicContact CB-CD1 3.84Å; Q72-Y94 HydrophobicContact CB-CE1 3.63Å; Q72-Y94 VanDerWaalsContact CD-CE1 3.49Å; Q72-Y94 HydrophobicContact CG-CD1 4.07Å; Q72-Y94 HydrophobicContact CG-CE1 3.49Å; Q72-Y94 VanDerWaalsContact CG-CE1 3.49Å; Q72-Y94 PolarHBondContact NE2-OH 3.2Å
73	Y	98.3	Very high	91.4	Very high	1 Å²	1	56.7 Å²	56.7	0%	0.004	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	126.7	171.4	-73.9	-69.5	0	0	0	109.8	I52 G54 E55 I71 Y92 V93 T95 L106	I52-Y73 HydrophobicContact CG2-CD1 3.55Å; I52-Y73 HydrophobicContact CG2-CE1 4.18Å; I52-Y73 HydrophobicContact CG2-CG 4.42Å; G54-Y73 WeakPolarHBondContact O-CA 3.37Å; E55-Y73 HydrophobicContact CB-CD1 3.67Å; E55-Y73 HydrophobicContact CB-CE1 3.58Å; E55-Y73 HydrophobicContact CG-CE1 4.43Å; E55-Y73 WeakPolarHBondContact OE2-CE1 3.41Å; E55-Y73 PolarHBondContact OE2-OH 2.81Å; I71-Y73 HydrophobicContact CB-CE2 4.11Å; I71-Y73 HydrophobicContact CG2-CD1 4.39Å; I71-Y73 HydrophobicContact CG2-CD2 4.03Å; I71-Y73 HydrophobicContact CG2-CE1 4.03Å; I71-Y73 HydrophobicContact CG2-CE2 3.63Å; I71-Y73 HydrophobicContact CG2-CG 4.39Å; Y73-Y92 VanDerWaalsContact O-CA 3.27Å; Y73-Y92 WeakPolarHBondContact O-CA 3.24Å; Y73-V93 PolarHBondContact N-O 2.91Å; Y73-V93 PolarHBondContact O-N 3.39Å; Y73-T95 HydrophobicContact CD2-CG2 3.99Å; Y73-T95 HydrophobicContact CE2-CG2 3.59Å; Y73-L106 HydrophobicContact CD1-CB 4.49Å; Y73-L106 HydrophobicContact CD2-CD1 3.96Å; Y73-L106 HydrophobicContact CD2-CG 4.41Å; Y73-L106 HydrophobicContact CE1-CB 4.03Å; Y73-L106 HydrophobicContact CE2-CB 4.25Å; Y73-L106 HydrophobicContact CE2-CD1 4.1Å; Y73-L106 HydrophobicContact CE2-CG 4.04Å; Y73-L106 HydrophobicContact CG-CD1 4.31Å; Y73-L106 PolarHBondContact OH-N 3.01Å; Y73-L106 VanDerWaalsContact OH-N 3.12Å
74	E	97.8	Very high	92.4	Very high	88 Å²	88	60.7 Å²	60.7	41%	0.411	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	130.7	163.7	-169.6	-175.1	145.2	0	0	108.6	S53 G54 Q91 Y92	S53-E74 PolarHBondContact N-O 3.02Å; S53-E74 WeakPolarHBondContact OG-CG 2.83Å; S53-E74 PolarHBondContact OG-O 2.81Å; S53-E74 PolarHBondContact OG-OE1 3.32Å; G54-E74 PolarHBondContact N-O 2.83Å; G54-E74 PolarHBondContact O-N 2.77Å; E74-Q91 WeakPolarHBondContact CA-O 3.34Å; E74-Y92 HydrophobicContact CB-CD1 4.11Å; E74-Y92 HydrophobicContact CB-CE1 3.9Å; E74-Y92 HydrophobicContact CG-CD1 4.23Å; E74-Y92 HydrophobicContact CG-CE1 3.72Å
75	I	97.9	Very high	93.1	Very high	9 Å²	9	61.9 Å²	61.9	5%	0.046	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	146.3	-174.2	68	162.4	0	0	0	112	I48 A50 K51 I52 I90 Q91 V93	I48-I75 HydrophobicContact CD1-CD1 3.41Å; I48-I75 VanDerWaalsContact CD1-CD1 3.41Å; A50-I75 HydrophobicContact CB-CB 4.03Å; A50-I75 HydrophobicContact CB-CD1 3.83Å; A50-I75 HydrophobicContact CB-CG1 4.43Å; K51-I75 CarbonylContact O-C 3.5Å; K51-I75 VanDerWaalsContact O-CA 3.25Å; K51-I75 WeakPolarHBondContact O-CA 3.48Å; I52-I75 HydrophobicContact CD1-CG2 3.65Å; I75-I90 HydrophobicContact CD1-CG2 4Å; I75-I90 WeakPolarHBondContact CG1-O 3.37Å; I75-Q91 PolarHBondContact N-O 3.37Å; I75-V93 HydrophobicContact CD1-CG1 4Å; I75-V93 HydrophobicContact CG2-CG2 3.94Å
76	K	96.9	Very high	93.4	Very high	140 Å²	140	66 Å²	66	61%	0.609	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.8	101.3	165.7	-67.6	-177.3	178.7	179.4	0	108.2	A50 K51 I78	A50-K76 WeakPolarHBondContact CA-O 3.46Å; K51-K76 PolarHBondContact N-O 3.41Å; K51-K76 PolarHBondContact O-N 2.85Å; K76-I78 PolarHBondContact O-N 3.47Å
77	M	96.6	Very high	93.9	Very high	55 Å²	55	64.2 Å²	64.2	27%	0.271	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	129.3	178.4	-167.1	-169.1	-54.1	0	0	110.3	I48 M80 I90	I48-M77 HydrophobicContact CB-CG 4.39Å; I48-M77 HydrophobicContact CG2-CE 4.25Å; I48-M77 HydrophobicContact CG2-CG 4.41Å; I48-M77 HydrophobicContact CG2-SD 4.13Å; M77-M80 HydrophobicContact CE-CE 3.88Å; M77-M80 HydrophobicContact SD-CB 4.07Å; M77-M80 HydrophobicContact SD-CE 4.05Å; M77-I90 HydrophobicContact CE-CB 3.5Å; M77-I90 VanDerWaalsContact CE-CB 3.5Å; M77-I90 HydrophobicContact CE-CD1 3.82Å; M77-I90 HydrophobicContact CE-CG1 3.79Å
78	I	96.7	Very high	94.1	Very high	80 Å²	80	66.5 Å²	66.5	41%	0.41	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	-44.4	174.8	-63.2	165.9	0	0	0	109.7	R49 K51 K76	R49-I78 HydrophobicContact CG-CB 4.27Å; R49-I78 HydrophobicContact CG-CD1 4.14Å; R49-I78 WeakPolarHBondContact O-CB 3.27Å; R49-I78 PolarHBondContact O-N 2.7Å; K51-I78 HydrophobicContact CD-CD1 4.32Å; K51-I78 HydrophobicContact CG-CD1 3.87Å; K76-I78 PolarHBondContact O-N 3.47Å
79	K	96.6	Very high	94.3	Very high	93 Å²	93	66.5 Å²	66.5	40%	0.404	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	140	-176.5	-176.9	167	-175.3	174.4	0	110.7	I48 R49 F81 N149	I48-K79 CarbonylContact C-O 3.51Å; I48-K79 WeakPolarHBondContact CA-O 3.18Å; R49-K79 HydrophobicContact CB-CB 4.4Å; R49-K79 PolarHBondContact N-O 3.31Å; R49-K79 PolarHBondContact O-N 3.23Å; R49-K79 VanDerWaalsContact O-N 3.14Å; K79-F81 HydrophobicContact CB-CZ 4.47Å; K79-F81 HydrophobicContact CD-CD1 4.31Å; K79-F81 HydrophobicContact CD-CE1 3.64Å; K79-F81 HydrophobicContact CD-CZ 3.83Å; K79-F81 HydrophobicContact CG-CD1 4.5Å; K79-F81 HydrophobicContact CG-CE1 4.14Å; K79-F81 HydrophobicContact CG-CE2 4.48Å; K79-F81 HydrophobicContact CG-CZ 4.13Å; K79-N149 PolarHBondContact NZ-OD1 3.01Å
80	M	97	Very high	94.4	Very high	17 Å²	17	63 Å²	63	8%	0.084	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	140.3	165.6	-175.5	172.8	-77.6	0	0	109.9	I48 M77 K82 F84 A87 I90	I48-M80 HydrophobicContact CG2-CB 4.11Å; I48-M80 HydrophobicContact CG2-CE 3.92Å; I48-M80 HydrophobicContact CG2-CG 4Å; M77-M80 HydrophobicContact CE-CE 3.88Å; M77-M80 HydrophobicContact SD-CB 4.07Å; M77-M80 HydrophobicContact SD-CE 4.05Å; M80-K82 WeakPolarHBondContact CG-O 3.31Å; M80-F84 HydrophobicContact CB-CD1 4.32Å; M80-F84 HydrophobicContact CB-CE1 3.73Å; M80-F84 HydrophobicContact CB-CZ 3.89Å; M80-F84 HydrophobicContact CG-CD1 4.1Å; M80-F84 HydrophobicContact CG-CD2 4.34Å; M80-F84 HydrophobicContact CG-CE1 3.89Å; M80-F84 HydrophobicContact CG-CE2 4.13Å; M80-F84 HydrophobicContact CG-CG 4.33Å; M80-F84 HydrophobicContact CG-CZ 3.92Å; M80-F84 WeakPolarHBondContact O-CZ 2.97Å; M80-F84 HydrophobicContact SD-CB 4.32Å; M80-F84 HydrophobicContact SD-CD1 3.68Å; M80-F84 HydrophobicContact SD-CD2 4.35Å; M80-F84 HydrophobicContact SD-CE1 4.07Å; M80-F84 HydrophobicContact SD-CG 3.85Å; M80-A87 WeakPolarHBondContact CE-O 3.17Å; M80-I90 HydrophobicContact CE-CD1 3.61Å; M80-I90 HydrophobicContact CE-CG1 4.42Å
81	F	97.2	Very high	94.5	Very high	20 Å²	20	66.8 Å²	66.8	9%	0.088	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	-30.3	175.1	-60.5	-78.1	0	0	0	111.9	F41 V47 R49 K79 L115 W137 L148	F41-F81 HydrophobicContact CE2-CB 4.02Å; V47-F81 HydrophobicContact CB-CB 4.3Å; V47-F81 HydrophobicContact CG1-CB 4.21Å; V47-F81 HydrophobicContact CG1-CD2 4.25Å; V47-F81 PolarHBondContact O-N 2.92Å; R49-F81 HydrophobicContact CB-CE2 3.9Å; K79-F81 HydrophobicContact CB-CZ 4.47Å; K79-F81 HydrophobicContact CD-CD1 4.31Å; K79-F81 HydrophobicContact CD-CE1 3.64Å; K79-F81 HydrophobicContact CD-CZ 3.83Å; K79-F81 HydrophobicContact CG-CD1 4.5Å; K79-F81 HydrophobicContact CG-CE1 4.14Å; K79-F81 HydrophobicContact CG-CE2 4.48Å; K79-F81 HydrophobicContact CG-CZ 4.13Å; F81-L115 HydrophobicContact CD2-CD1 4.14Å; F81-L115 HydrophobicContact CE2-CD1 4.06Å; F81-W137 HydrophobicContact CE2-CH2 4.39Å; F81-W137 HydrophobicContact CE2-CZ3 4.07Å; F81-W137 AromaticContact CZ-CH2 3.73Å; F81-W137 HydrophobicContact CZ-CH2 3.73Å; F81-W137 AromaticContact CZ-CZ3 3.87Å; F81-W137 HydrophobicContact CZ-CZ3 3.87Å; F81-L148 HydrophobicContact CD1-CB 3.77Å; F81-L148 WeakPolarHBondContact CD1-O 3.26Å; F81-L148 HydrophobicContact CE1-CB 3.88Å; F81-L148 HydrophobicContact CE2-CD1 4.28Å; F81-L148 HydrophobicContact CG-CB 4.11Å; F81-L148 HydrophobicContact CZ-CB 4.33Å; F81-L148 HydrophobicContact CZ-CD1 4.26Å
82	K	96.8	Very high	94.5	Very high	36 Å²	36	70.2 Å²	70.2	16%	0.157	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	146.9	178.1	-168.6	-177.8	-173.9	-170.8	0	110.2	F41 C42 A44 V47 M80	F41-K82 HydrophobicContact CD1-CD 4.47Å; F41-K82 HydrophobicContact CE1-CD 4.09Å; F41-K82 HydrophobicContact CE2-CB 4.31Å; F41-K82 HydrophobicContact CZ-CB 3.99Å; F41-K82 HydrophobicContact CZ-CD 4.31Å; F41-K82 WeakPolarHBondContact O-CD 3.46Å; F41-K82 PolarHBondContact O-NZ 3.05Å; C42-K82 VanDerWaalsContact C-NZ 3.31Å; C42-K82 PolarHBondContact O-NZ 3.12Å; A44-K82 VanDerWaalsContact O-CE 3.28Å; A44-K82 WeakPolarHBondContact O-CE 3.32Å; A44-K82 PolarHBondContact O-NZ 3.4Å; V47-K82 HydrophobicContact CB-CB 3.89Å; V47-K82 HydrophobicContact CG2-CB 3.92Å; V47-K82 HydrophobicContact CG2-CD 4.23Å; V47-K82 PolarHBondContact N-O 3.45Å; V47-K82 PolarHBondContact O-N 3.3Å; M80-K82 WeakPolarHBondContact CG-O 3.31Å
83	G	94.8	Very high	94.5	Very high	4 Å²	4	69.6 Å²	69.6	4%	0.041	32%	0.323	C	S	.	.			trans	103.9	15	174.8	0	0	0	0	0	116.1	D85 R86 A87	G83-D85 PolarHBondContact O-N 3.28Å; G83-R86 PolarHBondContact O-N 3.19Å; G83-A87 PolarHBondContact O-N 3.31Å; G83-A87 VanDerWaalsContact O-N 3.09Å
84	F	93.6	Very high	94.5	Very high	130 Å²	130	70.8 Å²	70.8	57%	0.57	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-28.2	-178	-63.2	-86.8	0	0	0	114	M80	M80-F84 HydrophobicContact CB-CD1 4.32Å; M80-F84 HydrophobicContact CB-CE1 3.73Å; M80-F84 HydrophobicContact CB-CZ 3.89Å; M80-F84 HydrophobicContact CG-CD1 4.1Å; M80-F84 HydrophobicContact CG-CD2 4.34Å; M80-F84 HydrophobicContact CG-CE1 3.89Å; M80-F84 HydrophobicContact CG-CE2 4.13Å; M80-F84 HydrophobicContact CG-CG 4.33Å; M80-F84 HydrophobicContact CG-CZ 3.92Å; M80-F84 WeakPolarHBondContact O-CZ 2.97Å; M80-F84 HydrophobicContact SD-CB 4.32Å; M80-F84 HydrophobicContact SD-CD1 3.68Å; M80-F84 HydrophobicContact SD-CD2 4.35Å; M80-F84 HydrophobicContact SD-CE1 4.07Å; M80-F84 HydrophobicContact SD-CG 3.85Å
85	D	91.6	Very high	94.5	Very high	142 Å²	142	66.6 Å²	66.6	76%	0.759	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-21.5	176.5	59.5	-43.8	0	0	0	113	G83	G83-D85 PolarHBondContact O-N 3.28Å
86	R	89	Confident	94.3	Very high	122 Å²	122	67.3 Å²	67.3	46%	0.46	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	-41.6	-174.8	-59.7	-170	173.3	-140.9	13.9	113.4	E45 I46 G83 M120	E45-R86 IonicContact OE1-CZ 3.36Å; E45-R86 IonicContact OE1-NH1 3.57Å; E45-R86 PolarHBondContact OE1-NH1 2.52Å; E45-R86 IonicContact OE1-NH2 3.42Å; E45-R86 PolarHBondContact OE1-NH2 2.81Å; E45-R86 IonicContact OE2-NH1 3.58Å; E45-R86 PolarHBondContact OE2-NH1 3.15Å; I46-R86 HydrophobicContact CD1-CB 4Å; G83-R86 PolarHBondContact O-N 3.19Å; R86-M120 HydrophobicContact CB-CE 3.87Å; R86-M120 HydrophobicContact CB-SD 4.38Å
87	A	87.6	Confident	94.2	Very high	20 Å²	20	62.3 Å²	62.3	17%	0.165	29%	0.294	C	S	.	.			trans	-147.5	136.5	178.5	0	0	0	0	0	110.6	M80 G83 I90 M120	M80-A87 WeakPolarHBondContact CE-O 3.17Å; G83-A87 PolarHBondContact O-N 3.31Å; G83-A87 VanDerWaalsContact O-N 3.09Å; A87-I90 HydrophobicContact CB-CD1 4.18Å; A87-I90 HydrophobicContact CB-CG1 3.82Å; A87-M120 HydrophobicContact CB-CE 4.03Å
88	K	84.7	Confident	94	Very high	199 Å²	199	63.3 Å²	63.3	87%	0.865	30%	0.297	S	S	*	.	S	Bend	trans	-94.6	-33.9	177.1	-67	-175	-179.5	179.2	0	112.9
89	D	87.4	Confident	93.8	Very high	109 Å²	109	63.4 Å²	63.4	58%	0.583	31%	0.305	S	S	*	.			trans	-133.2	125.2	178.1	-171	18	0	0	0	108.9	Q91	D89-Q91 PolarHBondContact OD2-NE2 2.63Å
90	I	93.9	Very high	93.6	Very high	9 Å²	9	61.3 Å²	61.3	5%	0.046	30%	0.302	C	S	.	.			trans	-123.5	113	-179.8	-57.6	161.3	0	0	0	106.6	I46 I48 I75 M77 M80 A87 Y92 V93 I126	I46-I90 HydrophobicContact CD1-CD1 4.45Å; I46-I90 HydrophobicContact CG1-CD1 4.46Å; I46-I90 HydrophobicContact CG2-CD1 3.61Å; I48-I90 HydrophobicContact CD1-CD1 4.41Å; I48-I90 HydrophobicContact CG2-CD1 4.21Å; I75-I90 HydrophobicContact CD1-CG2 4Å; I75-I90 WeakPolarHBondContact CG1-O 3.37Å; M77-I90 HydrophobicContact CE-CB 3.5Å; M77-I90 VanDerWaalsContact CE-CB 3.5Å; M77-I90 HydrophobicContact CE-CD1 3.82Å; M77-I90 HydrophobicContact CE-CG1 3.79Å; M80-I90 HydrophobicContact CE-CD1 3.61Å; M80-I90 HydrophobicContact CE-CG1 4.42Å; A87-I90 HydrophobicContact CB-CD1 4.18Å; A87-I90 HydrophobicContact CB-CG1 3.82Å; I90-Y92 WeakPolarHBondContact CG2-O 3.36Å; I90-V93 HydrophobicContact CG2-CG1 4.38Å; I90-I126 HydrophobicContact CB-CD1 4.24Å; I90-I126 HydrophobicContact CD1-CD1 3.41Å; I90-I126 VanDerWaalsContact CD1-CD1 3.41Å; I90-I126 HydrophobicContact CG1-CD1 3.65Å; I90-I126 HydrophobicContact CG2-CD1 3.55Å
91	Q	95.9	Very high	93.4	Very high	100 Å²	100	64.2 Å²	64.2	47%	0.467	32%	0.318	S	S	.	.			trans	-102.4	-20.3	-177.9	-61.8	176.9	7.2	0	0	111.9	E74 I75 D89	E74-Q91 WeakPolarHBondContact CA-O 3.34Å; I75-Q91 PolarHBondContact N-O 3.37Å; D89-Q91 PolarHBondContact OD2-NE2 2.63Å
92	Y	97.1	Very high	93.3	Very high	86 Å²	86	64.9 Å²	64.9	34%	0.337	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	141.4	-174.4	-55.1	-67.7	0	0	0	112.5	Q72 Y73 E74 I90	Q72-Y92 HydrophobicContact CG-CD1 3.96Å; Q72-Y92 HydrophobicContact CG-CG 4.28Å; Y73-Y92 VanDerWaalsContact O-CA 3.27Å; Y73-Y92 WeakPolarHBondContact O-CA 3.24Å; E74-Y92 HydrophobicContact CB-CD1 4.11Å; E74-Y92 HydrophobicContact CB-CE1 3.9Å; E74-Y92 HydrophobicContact CG-CD1 4.23Å; E74-Y92 HydrophobicContact CG-CE1 3.72Å; I90-Y92 WeakPolarHBondContact CG2-O 3.36Å
93	V	97.6	Very high	93.3	Very high	1 Å²	1	63.5 Å²	63.5	1%	0.006	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	152.2	166.7	-61.5	0	0	0	0	109.5	Y73 I75 I90 L116 I126 I128	Y73-V93 PolarHBondContact N-O 2.91Å; Y73-V93 PolarHBondContact O-N 3.39Å; I75-V93 HydrophobicContact CD1-CG1 4Å; I75-V93 HydrophobicContact CG2-CG2 3.94Å; I90-V93 HydrophobicContact CG2-CG1 4.38Å; V93-L116 HydrophobicContact CG2-CD1 4.42Å; V93-I126 WeakPolarHBondContact CA-O 3.46Å; V93-I126 HydrophobicContact CG1-CB 4.37Å; V93-I126 HydrophobicContact CG1-CG2 4.16Å; V93-I128 HydrophobicContact CB-CD1 4.39Å; V93-I128 HydrophobicContact CB-CG2 4.42Å; V93-I128 HydrophobicContact CG2-CD1 3.88Å
94	Y	97.4	Very high	93.3	Very high	27 Å²	27	64 Å²	64	11%	0.106	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	143.6	-172.8	-60.2	-96.7	0	0	0	110.4	V58 I71 Q72 R125 I126 S127 I128	V58-Y94 HydrophobicContact CG2-CD1 4.15Å; V58-Y94 HydrophobicContact CG2-CE1 4.09Å; I71-Y94 VanDerWaalsContact O-CA 3.32Å; I71-Y94 WeakPolarHBondContact O-CA 3.4Å; Q72-Y94 HydrophobicContact CB-CD1 3.84Å; Q72-Y94 HydrophobicContact CB-CE1 3.63Å; Q72-Y94 VanDerWaalsContact CD-CE1 3.49Å; Q72-Y94 HydrophobicContact CG-CD1 4.07Å; Q72-Y94 HydrophobicContact CG-CE1 3.49Å; Q72-Y94 VanDerWaalsContact CG-CE1 3.49Å; Q72-Y94 PolarHBondContact NE2-OH 3.2Å; Y94-R125 HydrophobicContact CD2-CB 3.94Å; Y94-R125 HydrophobicContact CD2-CG 4.34Å; Y94-R125 HydrophobicContact CE2-CB 3.8Å; Y94-R125 HydrophobicContact CE2-CG 3.73Å; Y94-R125 VanDerWaalsContact CZ-CD 3.48Å; Y94-I126 WeakPolarHBondContact CD2-O 3.35Å; Y94-I126 PolarHBondContact N-O 3.45Å; Y94-S127 CarbonylContact O-C 3.47Å; Y94-S127 VanDerWaalsContact O-CA 3.31Å; Y94-S127 WeakPolarHBondContact O-CA 3.49Å; Y94-I128 PolarHBondContact O-N 2.94Å
95	T	97.3	Very high	93.4	Very high	0 Å²	0	66.3 Å²	66.3	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	150.3	175.1	172.6	0	0	0	0	109.6	M70 I71 Y73 G103 V104 I128	M70-T95 CarbonylContact C-O 3.55Å; M70-T95 WeakPolarHBondContact CA-O 3.32Å; M70-T95 VanDerWaalsContact CE-C 3.5Å; I71-T95 HydrophobicContact CB-CG2 3.94Å; I71-T95 HydrophobicContact CD1-CG2 4.48Å; I71-T95 PolarHBondContact N-O 3.18Å; I71-T95 PolarHBondContact O-N 2.05Å; Y73-T95 HydrophobicContact CD2-CG2 3.99Å; Y73-T95 HydrophobicContact CE2-CG2 3.59Å; T95-G103 VanDerWaalsContact OG1-CA 3.29Å; T95-G103 WeakPolarHBondContact OG1-CA 3.36Å; T95-V104 HydrophobicContact CG2-CG2 4.07Å; T95-V104 WeakPolarHBondContact CG2-O 3.48Å; T95-V104 PolarHBondContact OG1-N 3.24Å; T95-I128 WeakPolarHBondContact CB-O 3.39Å; T95-I128 PolarHBondContact OG1-O 3.35Å
96	P	95.3	Very high	93.7	Very high	24 Å²	24	60.1 Å²	60.1	16%	0.156	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.6	148.7	170	-27.4	39.4	0	0	0	111.8	M70 L101 G103	M70-P96 HydrophobicContact CE-CG 4.04Å; M70-P96 HydrophobicContact SD-CB 4.28Å; M70-P96 HydrophobicContact SD-CG 4.04Å; P96-L101 HydrophobicContact CB-CB 3.76Å; P96-L101 HydrophobicContact CG-CB 4.33Å; P96-L101 WeakPolarHBondContact CG-O 3.35Å; P96-G103 WeakPolarHBondContact O-CA 3.28Å
97	V	94.6	Very high	93.9	Very high	34 Å²	34	58 Å²	58	21%	0.206	30%	0.298	C	S	.	.	S	Bend	trans	-69.2	-35	178.3	170.3	0	0	0	0	112	I57 K69 I71	I57-V97 HydrophobicContact CG2-CG2 4.28Å; K69-V97 HydrophobicContact CB-CG2 3.89Å; K69-V97 VanDerWaalsContact O-CG2 3.31Å; K69-V97 WeakPolarHBondContact O-CG2 3.24Å; K69-V97 PolarHBondContact O-N 3.04Å; I71-V97 HydrophobicContact CG1-CB 4.37Å; I71-V97 HydrophobicContact CG1-CG2 3.71Å
98	F	92.8	Very high	94.2	Very high	76 Å²	76	60.5 Å²	60.5	33%	0.333	31%	0.314	S	S	.	.	S	Bend	trans	-97.9	136.9	-174	-61.6	-71	0	0	0	111.8	P66 Y67 S100 L101 G103	P66-F98 HydrophobicContact CB-CE2 4.25Å; P66-F98 HydrophobicContact CB-CZ 4.36Å; P66-F98 WeakPolarHBondContact O-CE2 3.34Å; Y67-F98 HydrophobicContact CD1-CD2 4.01Å; Y67-F98 HydrophobicContact CD1-CE2 4.04Å; Y67-F98 HydrophobicContact CE1-CD2 4.46Å; Y67-F98 HydrophobicContact CE1-CE2 4.36Å; F98-S100 PolarHBondContact O-N 3.24Å; F98-L101 HydrophobicContact CB-CG 4.48Å; F98-L101 HydrophobicContact CD2-CD1 4.49Å; F98-L101 PolarHBondContact O-N 2.73Å; F98-G103 WeakPolarHBondContact O-CA 3.22Å; F98-G103 PolarHBondContact O-N 3.02Å
99	S	92.5	Very high	94.6	Very high	83 Å²	83	56.9 Å²	56.9	58%	0.58	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-64.8	-28.2	175.8	52.8	0	0	0	0	112.9	C30 L101 C102 Q130	C30-S99 VanDerWaalsContact CB-O 3.32Å; C30-S99 WeakPolarHBondContact CB-O 3.21Å; S99-L101 PolarHBondContact O-N 2.82Å; S99-C102 PolarHBondContact O-N 3.02Å; S99-Q130 VanDerWaalsContact CA-NE2 3.26Å; S99-Q130 VanDerWaalsContact CB-NE2 3.34Å; S99-Q130 PolarHBondContact O-NE2 3.28Å
100	S	92.2	Very high	94.8	Very high	48 Å²	48	53 Å²	53	34%	0.336	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-62.9	-24.3	172.6	53.7	0	0	0	0	112.9	C30 F98 C102	C30-S100 PolarHBondContact N-O 3.06Å; F98-S100 PolarHBondContact O-N 3.24Å; S100-C102 VanDerWaalsContact C-N 3.32Å
101	L	92.4	Very high	94.7	Very high	78 Å²	78	61.2 Å²	61.2	41%	0.408	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-97.9	24.6	173.7	-59.7	178.2	0	0	0	111.9	Y67 P96 F98 S99 G103	Y67-L101 HydrophobicContact CD1-CD1 4.42Å; Y67-L101 WeakPolarHBondContact O-CD1 3.49Å; P96-L101 HydrophobicContact CB-CB 3.76Å; P96-L101 HydrophobicContact CG-CB 4.33Å; P96-L101 WeakPolarHBondContact CG-O 3.35Å; F98-L101 HydrophobicContact CB-CG 4.48Å; F98-L101 HydrophobicContact CD2-CD1 4.49Å; F98-L101 PolarHBondContact O-N 2.73Å; S99-L101 PolarHBondContact O-N 2.82Å; L101-G103 PolarHBondContact O-N 2.69Å
102	C	95	Very high	94.6	Very high	35 Å²	35	56.9 Å²	56.9	24%	0.236	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.9	23.5	-176.4	-53.8	0	0	0	0	114.2	C30 S99 S100 G129 Q130	C30-C102 HydrophobicContact CB-CB 3.9Å; C30-C102 WeakPolarHBondContact CB-SG 3.04Å; C30-C102 WeakPolarHBondContact SG-CA 3.4Å; C30-C102 WeakPolarHBondContact SG-CB 3.05Å; C30-C102 CovalentContact SG-SG 2.03Å; C30-C102 PolarHBondContact SG-SG 2.69Å; S99-C102 PolarHBondContact O-N 3.02Å; S100-C102 VanDerWaalsContact C-N 3.32Å; C102-G129 CarbonylContact O-C 3.53Å; C102-G129 WeakPolarHBondContact O-CA 3.15Å; C102-Q130 HydrophobicContact CB-CB 4.37Å; C102-Q130 PolarHBondContact O-N 3.35Å
103	G	95.9	Very high	94.6	Very high	7 Å²	7	52.8 Å²	52.8	7%	0.072	28%	0.284	C	S	.	.			trans	-67.7	137	175.6	0	0	0	0	0	113.1	T95 P96 F98 L101 Q130	T95-G103 VanDerWaalsContact OG1-CA 3.29Å; T95-G103 WeakPolarHBondContact OG1-CA 3.36Å; P96-G103 WeakPolarHBondContact O-CA 3.28Å; F98-G103 WeakPolarHBondContact O-CA 3.22Å; F98-G103 PolarHBondContact O-N 3.02Å; L101-G103 PolarHBondContact O-N 2.69Å; G103-Q130 PolarHBondContact O-NE2 3.18Å
104	V	96.6	Very high	94.6	Very high	15 Å²	15	54 Å²	54	9%	0.091	29%	0.289	C	S	.	.			trans	-105.7	143.7	174.2	-65.9	0	0	0	0	111.1	T95 L106 I128 G129 Q130 V134	T95-V104 HydrophobicContact CG2-CG2 4.07Å; T95-V104 WeakPolarHBondContact CG2-O 3.48Å; T95-V104 PolarHBondContact OG1-N 3.24Å; V104-L106 HydrophobicContact CG2-CD2 4.44Å; V104-L106 HydrophobicContact CG2-CG 4.48Å; V104-I128 HydrophobicContact CG2-CD1 3.84Å; V104-I128 HydrophobicContact CG2-CG1 3.94Å; V104-G129 VanDerWaalsContact CG1-C 3.46Å; V104-Q130 HydrophobicContact CG1-CB 4.29Å; V104-Q130 HydrophobicContact CG1-CG 3.67Å; V104-V134 HydrophobicContact CG1-CG1 4.41Å; V104-V134 HydrophobicContact CG2-CG1 4.41Å
105	K	95.8	Very high	94.6	Very high	178 Å²	178	52.9 Å²	52.9	77%	0.774	28%	0.284	S	S	*	.			trans	-107	125.4	170.6	-69.3	-170.1	178.2	-176.9	0	109.3
106	L	96.8	Very high	94.7	Very high	12 Å²	12	53 Å²	53	6%	0.063	28%	0.284	C	S	.	.			trans	-112.1	136.5	-178.8	-54.6	178.7	0	0	0	109.9	I52 Y73 V104 Y114 L116 I128 V134	I52-L106 HydrophobicContact CD1-CB 4.27Å; I52-L106 HydrophobicContact CD1-CD1 3.7Å; I52-L106 HydrophobicContact CG1-CB 3.82Å; I52-L106 HydrophobicContact CG1-CD1 4.2Å; Y73-L106 HydrophobicContact CD1-CB 4.49Å; Y73-L106 HydrophobicContact CD2-CD1 3.96Å; Y73-L106 HydrophobicContact CD2-CG 4.41Å; Y73-L106 HydrophobicContact CE1-CB 4.03Å; Y73-L106 HydrophobicContact CE2-CB 4.25Å; Y73-L106 HydrophobicContact CE2-CD1 4.1Å; Y73-L106 HydrophobicContact CE2-CG 4.04Å; Y73-L106 HydrophobicContact CG-CD1 4.31Å; Y73-L106 PolarHBondContact OH-N 3.01Å; Y73-L106 VanDerWaalsContact OH-N 3.12Å; V104-L106 HydrophobicContact CG2-CD2 4.44Å; V104-L106 HydrophobicContact CG2-CG 4.48Å; L106-Y114 HydrophobicContact CB-CE2 4.24Å; L106-Y114 HydrophobicContact CD2-CD1 4.05Å; L106-Y114 HydrophobicContact CD2-CE1 4.03Å; L106-Y114 HydrophobicContact CD2-CG 4.37Å; L106-L116 HydrophobicContact CD1-CD2 4.02Å; L106-I128 HydrophobicContact CD1-CD1 3.9Å; L106-V134 HydrophobicContact CD2-CG1 3.75Å
107	D	93.9	Very high	94.8	Very high	78 Å²	78	51.9 Å²	51.9	42%	0.417	28%	0.277	S	S	.	.			trans	-89.8	121.1	-179.3	-179.7	12.3	0	0	0	110.5	N109 N110 Y114	D107-N109 PolarHBondContact O-N 3.12Å; D107-N109 WeakPolarHBondContact OD1-CB 3.42Å; D107-N109 PolarHBondContact OD1-N 2.88Å; D107-N109 PolarHBondContact OD1-ND2 3.49Å; D107-N110 WeakPolarHBondContact O-CB 3.39Å; D107-N110 PolarHBondContact O-N 3.08Å; D107-Y114 WeakPolarHBondContact CB-OH 3.32Å; D107-Y114 PolarHBondContact N-OH 3.5Å; D107-Y114 WeakPolarHBondContact O-CE2 3.23Å
108	S	92.8	Very high	94.9	Very high	72 Å²	72	50.3 Å²	50.3	50%	0.503	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-19.5	175.5	58.7	0	0	0	0	113.3	N110	S108-N110 VanDerWaalsContact C-N 3.29Å; S108-N110 PolarHBondContact O-N 3.48Å
109	N	93.1	Very high	95.1	Very high	122 Å²	122	49.3 Å²	49.3	65%	0.652	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-8	176.9	-57.1	-66	0	0	0	113.3	D107 K111	D107-N109 PolarHBondContact O-N 3.12Å; D107-N109 WeakPolarHBondContact OD1-CB 3.42Å; D107-N109 PolarHBondContact OD1-N 2.88Å; D107-N109 PolarHBondContact OD1-ND2 3.49Å; N109-K111 PolarHBondContact O-N 3.28Å
110	N	92.8	Very high	95.1	Very high	27 Å²	27	47.3 Å²	47.3	14%	0.144	25%	0.253	C	S	.	.			trans	-66.9	100.3	178.6	-174.5	-22.4	0	0	0	111.2	D107 S108 A112 G113 Y114 S136	D107-N110 WeakPolarHBondContact O-CB 3.39Å; D107-N110 PolarHBondContact O-N 3.08Å; S108-N110 VanDerWaalsContact C-N 3.29Å; S108-N110 PolarHBondContact O-N 3.48Å; N110-A112 VanDerWaalsContact C-N 3.28Å; N110-A112 PolarHBondContact O-N 3.44Å; N110-A112 WeakPolarHBondContact OD1-CA 3.41Å; N110-A112 VanDerWaalsContact OD1-CB 3.28Å; N110-A112 WeakPolarHBondContact OD1-CB 3.19Å; N110-A112 PolarHBondContact OD1-N 2.94Å; N110-G113 PolarHBondContact O-N 3.05Å; N110-G113 PolarHBondContact OD1-N 3.29Å; N110-Y114 HydrophobicContact CB-CE2 3.66Å; N110-Y114 VanDerWaalsContact ND2-CZ 3.3Å; N110-Y114 PolarHBondContact ND2-OH 3.18Å; N110-S136 PolarHBondContact ND2-OG 3.19Å
111	K	91.1	Very high	95.1	Very high	182 Å²	182	49 Å²	49	79%	0.791	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-25.7	-179.1	-63	-175.3	-176.7	177.5	0	113.4	K51 N109 G113	K51-K111 WeakPolarHBondContact CE-O 3.14Å; K51-K111 PolarHBondContact NZ-O 3.21Å; N109-K111 PolarHBondContact O-N 3.28Å; K111-G113 VanDerWaalsContact C-N 3.3Å
112	A	92.8	Very high	95	Very high	10 Å²	10	51.9 Å²	51.9	8%	0.083	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-27.4	179.5	0	0	0	0	0	112.4	R49 N110 W137 D138	R49-A112 PolarHBondContact NE-O 2.91Å; R49-A112 PolarHBondContact NH2-O 3.06Å; N110-A112 VanDerWaalsContact C-N 3.28Å; N110-A112 PolarHBondContact O-N 3.44Å; N110-A112 WeakPolarHBondContact OD1-CA 3.41Å; N110-A112 VanDerWaalsContact OD1-CB 3.28Å; N110-A112 WeakPolarHBondContact OD1-CB 3.19Å; N110-A112 PolarHBondContact OD1-N 2.94Å; A112-W137 HydrophobicContact CB-CB 4.15Å; A112-D138 HydrophobicContact CB-CB 4.13Å; A112-D138 WeakPolarHBondContact CB-OD1 3.27Å; A112-D138 WeakPolarHBondContact CB-OD2 3.24Å
113	G	97.1	Very high	94.8	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	29%	0.289	C	S	.	.			trans	78.7	-178.1	-168.6	0	0	0	0	0	112.1	A50 N110 K111 W137	A50-G113 CarbonylContact O-C 3.54Å; A50-G113 VanDerWaalsContact O-CA 3.28Å; A50-G113 WeakPolarHBondContact O-CA 3.35Å; N110-G113 PolarHBondContact O-N 3.05Å; N110-G113 PolarHBondContact OD1-N 3.29Å; K111-G113 VanDerWaalsContact C-N 3.3Å; G113-W137 WeakPolarHBondContact O-CB 3.4Å; G113-W137 PolarHBondContact O-N 3.02Å
114	Y	98.5	Very high	94.5	Very high	27 Å²	27	56 Å²	56	11%	0.106	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	146.6	-178.3	-67.4	-88.4	0	0	0	110.5	R49 A50 I52 L106 D107 N110 L116 E135	R49-Y114 CarbonylContact C-O 3.59Å; R49-Y114 VanDerWaalsContact CA-O 3.23Å; R49-Y114 WeakPolarHBondContact CA-O 3.34Å; A50-Y114 PolarHBondContact N-O 2.64Å; A50-Y114 PolarHBondContact O-N 2.67Å; I52-Y114 HydrophobicContact CD1-CD2 4.49Å; I52-Y114 HydrophobicContact CG1-CD2 4.01Å; I52-Y114 HydrophobicContact CG1-CE2 4.1Å; L106-Y114 HydrophobicContact CB-CE2 4.24Å; L106-Y114 HydrophobicContact CD2-CD1 4.05Å; L106-Y114 HydrophobicContact CD2-CE1 4.03Å; L106-Y114 HydrophobicContact CD2-CG 4.37Å; D107-Y114 WeakPolarHBondContact CB-OH 3.32Å; D107-Y114 PolarHBondContact N-OH 3.5Å; D107-Y114 WeakPolarHBondContact O-CE2 3.23Å; N110-Y114 HydrophobicContact CB-CE2 3.66Å; N110-Y114 VanDerWaalsContact ND2-CZ 3.3Å; N110-Y114 PolarHBondContact ND2-OH 3.18Å; Y114-L116 HydrophobicContact CG-CD2 4.48Å; Y114-E135 CarbonylContact C-O 3.6Å; Y114-E135 WeakPolarHBondContact CA-O 3.34Å
115	L	98.5	Very high	94.3	Very high	2 Å²	2	59.4 Å²	59.4	1%	0.01	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	127.6	153.2	177.9	66.7	0	0	0	107.4	V47 F81 L133 V134 E135 W137 L140 L148	V47-L115 HydrophobicContact CG1-CD1 3.75Å; F81-L115 HydrophobicContact CD2-CD1 4.14Å; F81-L115 HydrophobicContact CE2-CD1 4.06Å; L115-L133 HydrophobicContact CD2-CD2 3.53Å; L115-L133 HydrophobicContact CD2-CG 3.69Å; L115-L133 HydrophobicContact CG-CD2 4.34Å; L115-L133 HydrophobicContact CG-CG 4.35Å; L115-V134 WeakPolarHBondContact O-CA 3.49Å; L115-E135 PolarHBondContact N-O 3.41Å; L115-E135 PolarHBondContact O-N 2.82Å; L115-W137 HydrophobicContact CB-CE3 4.47Å; L115-L140 HydrophobicContact CB-CD1 3.81Å; L115-L140 HydrophobicContact CD2-CD1 3.64Å; L115-L140 HydrophobicContact CD2-CD2 4.27Å; L115-L140 HydrophobicContact CG-CD1 4.35Å; L115-L148 HydrophobicContact CD1-CD1 3.89Å; L115-L148 HydrophobicContact CD1-CD2 4.05Å; L115-L148 HydrophobicContact CD2-CD1 3.81Å; L115-L148 HydrophobicContact CD2-CD2 3.94Å; L115-L148 HydrophobicContact CD2-CG 4.49Å; L115-L148 HydrophobicContact CG-CD1 4.49Å
116	L	98.4	Very high	94.3	Very high	2 Å²	2	51.3 Å²	51.3	1%	0.01	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	119.6	-179.3	-55.8	174.3	0	0	0	108	V47 I48 A50 V93 L106 Y114 I128 L133 V134	V47-L116 WeakPolarHBondContact CA-O 3.33Å; I48-L116 HydrophobicContact CG1-CB 4.06Å; I48-L116 PolarHBondContact N-O 3.01Å; I48-L116 PolarHBondContact O-N 2.96Å; A50-L116 HydrophobicContact CB-CD1 4.33Å; V93-L116 HydrophobicContact CG2-CD1 4.42Å; L106-L116 HydrophobicContact CD1-CD2 4.02Å; Y114-L116 HydrophobicContact CG-CD2 4.48Å; L116-I128 HydrophobicContact CD2-CD1 4.1Å; L116-L133 CarbonylContact C-O 3.6Å; L116-V134 HydrophobicContact CD2-CG1 3.93Å; L116-V134 HydrophobicContact CD2-CG2 4.35Å
117	S	98	Very high	94.3	Very high	1 Å²	1	51.8 Å²	51.8	1%	0.007	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	155.1	160.3	77	0	0	0	0	110.5	I46 I128 D132 L133	I46-S117 VanDerWaalsContact O-CA 3.27Å; I46-S117 WeakPolarHBondContact O-CA 3.32Å; S117-I128 VanDerWaalsContact O-CG2 3.24Å; S117-I128 WeakPolarHBondContact O-CG2 3.46Å; S117-D132 WeakPolarHBondContact O-CB 3.39Å; S117-L133 PolarHBondContact N-O 3.46Å; S117-L133 WeakPolarHBondContact OG-CA 3.32Å; S117-L133 VanDerWaalsContact OG-CB 3.32Å; S117-L133 WeakPolarHBondContact OG-CB 3.21Å; S117-L133 PolarHBondContact OG-N 3.01Å
118	G	96.2	Very high	94.5	Very high	1 Å²	1	48.2 Å²	48.2	1%	0.01	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.3	174.3	178.1	0	0	0	0	0	113.7	E45 I46 S127	E45-G118 PolarHBondContact N-O 3.12Å; I46-G118 PolarHBondContact N-O 2.95Å; I46-G118 PolarHBondContact O-N 3.45Å; I46-G118 VanDerWaalsContact O-N 3.08Å; G118-S127 WeakPolarHBondContact CA-O 3.43Å
119	S	95.9	Very high	94.7	Very high	56 Å²	56	45.1 Å²	45.1	39%	0.392	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	147.5	175	-58.2	0	0	0	0	110.1	I126 S127	S119-I126 CarbonylContact O-C 3.51Å; S119-I126 WeakPolarHBondContact O-CA 3.15Å; S119-S127 PolarHBondContact N-O 2.94Å; S119-S127 PolarHBondContact O-N 3.41Å
120	M	94.5	Very high	94.8	Very high	41 Å²	41	43.2 Å²	43.2	20%	0.202	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	126.6	178.2	-170.8	176.1	-72	0	0	109.5	E45 I46 R86 A87 R125 I126	E45-M120 WeakPolarHBondContact OE2-CA 3.29Å; E45-M120 VanDerWaalsContact OE2-CB 3.24Å; E45-M120 WeakPolarHBondContact OE2-CB 3.33Å; E45-M120 PolarHBondContact OE2-N 3.35Å; I46-M120 HydrophobicContact CD1-CE 3.89Å; I46-M120 HydrophobicContact CG1-CE 4.04Å; R86-M120 HydrophobicContact CB-CE 3.87Å; R86-M120 HydrophobicContact CB-SD 4.38Å; A87-M120 HydrophobicContact CB-CE 4.03Å; M120-R125 CarbonylContact C-O 3.51Å; M120-R125 WeakPolarHBondContact CA-O 3.31Å; M120-I126 HydrophobicContact CE-CD1 4.36Å; M120-I126 HydrophobicContact CE-CG1 4.25Å
121	W	91.8	Very high	95	Very high	84 Å²	84	44.2 Å²	44.2	32%	0.318	24%	0.243	S	C	.	.			trans	-72.7	165.3	170.5	-63.4	-23.2	0	0	0	111.1	M70 D123 G124 R125	M70-W121 HydrophobicContact CE-CH2 3.69Å; M70-W121 HydrophobicContact CE-CZ2 3.92Å; W121-D123 PolarHBondContact O-N 3.01Å; W121-G124 PolarHBondContact O-N 2.78Å; W121-R125 HydrophobicContact CD2-CB 4.4Å; W121-R125 HydrophobicContact CE3-CB 3.6Å; W121-R125 HydrophobicContact CE3-CG 4.47Å; W121-R125 VanDerWaalsContact CE3-NE 3.32Å; W121-R125 HydrophobicContact CZ3-CB 4.07Å; W121-R125 PolarHBondContact N-O 3.27Å
122	S	90.1	Very high	95.3	Very high	138 Å²	138	37.7 Å²	37.7	97%	0.965	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-21.4	-180	51.9	0	0	0	0	114.2
123	D	89.5	Confident	95.5	Very high	87 Å²	87	38 Å²	38	47%	0.465	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.4	9.7	176.2	59.3	21.2	0	0	0	114.2	W121 R125	W121-D123 PolarHBondContact O-N 3.01Å; D123-R125 VanDerWaalsContact C-N 3.35Å; D123-R125 VanDerWaalsContact CG-CZ 3.44Å; D123-R125 VanDerWaalsContact CG-NH1 3.27Å; D123-R125 PolarHBondContact O-N 3.11Å; D123-R125 IonicContact OD1-CZ 2.86Å; D123-R125 PolarHBondContact OD1-N 3.16Å; D123-R125 IonicContact OD1-NE 3.9Å; D123-R125 IonicContact OD1-NH1 2.67Å; D123-R125 IonicContact OD1-NH2 2.64Å; D123-R125 IonicContact OD2-CZ 2.63Å; D123-R125 IonicContact OD2-NE 3.04Å; D123-R125 IonicContact OD2-NH1 3.46Å; D123-R125 PolarHBondContact OD2-NH1 2.83Å; D123-R125 IonicContact OD2-NH2 3.37Å; D123-R125 PolarHBondContact OD2-NH2 2.91Å
124	G	90.4	Very high	95.5	Very high	41 Å²	41	39.6 Å²	39.6	42%	0.423	23%	0.227	S	C	.	.	S	Bend	trans	85.5	-2.6	174.6	0	0	0	0	0	115.1	W121	W121-G124 PolarHBondContact O-N 2.78Å
125	R	93.1	Very high	95.4	Very high	87 Å²	87	41.8 Å²	41.8	33%	0.328	24%	0.238	S	C	.	.	P	Polyproline II helix	trans	-71.8	143.7	173.3	-67.9	-166.5	-59.7	-84.7	-5.7	110.8	Y94 M120 W121 D123	Y94-R125 HydrophobicContact CD2-CB 3.94Å; Y94-R125 HydrophobicContact CD2-CG 4.34Å; Y94-R125 HydrophobicContact CE2-CB 3.8Å; Y94-R125 HydrophobicContact CE2-CG 3.73Å; Y94-R125 VanDerWaalsContact CZ-CD 3.48Å; M120-R125 CarbonylContact C-O 3.51Å; M120-R125 WeakPolarHBondContact CA-O 3.31Å; W121-R125 HydrophobicContact CD2-CB 4.4Å; W121-R125 HydrophobicContact CE3-CB 3.6Å; W121-R125 HydrophobicContact CE3-CG 4.47Å; W121-R125 VanDerWaalsContact CE3-NE 3.32Å; W121-R125 HydrophobicContact CZ3-CB 4.07Å; W121-R125 PolarHBondContact N-O 3.27Å; D123-R125 VanDerWaalsContact C-N 3.35Å; D123-R125 VanDerWaalsContact CG-CZ 3.44Å; D123-R125 VanDerWaalsContact CG-NH1 3.27Å; D123-R125 PolarHBondContact O-N 3.11Å; D123-R125 IonicContact OD1-CZ 2.86Å; D123-R125 PolarHBondContact OD1-N 3.16Å; D123-R125 IonicContact OD1-NE 3.9Å; D123-R125 IonicContact OD1-NH1 2.67Å; D123-R125 IonicContact OD1-NH2 2.64Å; D123-R125 IonicContact OD2-CZ 2.63Å; D123-R125 IonicContact OD2-NE 3.04Å; D123-R125 IonicContact OD2-NH1 3.46Å; D123-R125 PolarHBondContact OD2-NH1 2.83Å; D123-R125 IonicContact OD2-NH2 3.37Å; D123-R125 PolarHBondContact OD2-NH2 2.91Å
126	I	96.3	Very high	95.4	Very high	7 Å²	7	42.4 Å²	42.4	4%	0.036	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	123.4	-178.9	-65.1	164.3	0	0	0	109.8	I46 I90 V93 Y94 S119 M120 I128	I46-I126 HydrophobicContact CB-CD1 4.47Å; I46-I126 HydrophobicContact CG1-CD1 3.91Å; I46-I126 HydrophobicContact CG1-CG1 4.34Å; I46-I126 HydrophobicContact CG2-CD1 4.39Å; I90-I126 HydrophobicContact CB-CD1 4.24Å; I90-I126 HydrophobicContact CD1-CD1 3.41Å; I90-I126 VanDerWaalsContact CD1-CD1 3.41Å; I90-I126 HydrophobicContact CG1-CD1 3.65Å; I90-I126 HydrophobicContact CG2-CD1 3.55Å; V93-I126 WeakPolarHBondContact CA-O 3.46Å; V93-I126 HydrophobicContact CG1-CB 4.37Å; V93-I126 HydrophobicContact CG1-CG2 4.16Å; Y94-I126 WeakPolarHBondContact CD2-O 3.35Å; Y94-I126 PolarHBondContact N-O 3.45Å; S119-I126 CarbonylContact O-C 3.51Å; S119-I126 WeakPolarHBondContact O-CA 3.15Å; M120-I126 HydrophobicContact CE-CD1 4.36Å; M120-I126 HydrophobicContact CE-CG1 4.25Å; I126-I128 HydrophobicContact CG2-CG2 4.46Å
127	S	96.4	Very high	95.3	Very high	23 Å²	23	43.8 Å²	43.8	16%	0.161	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	136.8	174	-167.3	0	0	0	0	110.4	Y94 G118 S119	Y94-S127 CarbonylContact O-C 3.47Å; Y94-S127 VanDerWaalsContact O-CA 3.31Å; Y94-S127 WeakPolarHBondContact O-CA 3.49Å; G118-S127 WeakPolarHBondContact CA-O 3.43Å; S119-S127 PolarHBondContact N-O 2.94Å; S119-S127 PolarHBondContact O-N 3.41Å
128	I	97.8	Very high	95.3	Very high	2 Å²	2	49 Å²	49	1%	0.01	28%	0.275	C	S	.	.			trans	-124.2	155.8	170.3	65.1	175	0	0	0	109.5	V93 Y94 T95 V104 L106 L116 S117 I126 D132 V134	V93-I128 HydrophobicContact CB-CD1 4.39Å; V93-I128 HydrophobicContact CB-CG2 4.42Å; V93-I128 HydrophobicContact CG2-CD1 3.88Å; Y94-I128 PolarHBondContact O-N 2.94Å; T95-I128 WeakPolarHBondContact CB-O 3.39Å; T95-I128 PolarHBondContact OG1-O 3.35Å; V104-I128 HydrophobicContact CG2-CD1 3.84Å; V104-I128 HydrophobicContact CG2-CG1 3.94Å; L106-I128 HydrophobicContact CD1-CD1 3.9Å; L116-I128 HydrophobicContact CD2-CD1 4.1Å; S117-I128 VanDerWaalsContact O-CG2 3.24Å; S117-I128 WeakPolarHBondContact O-CG2 3.46Å; I126-I128 HydrophobicContact CG2-CG2 4.46Å; I128-D132 WeakPolarHBondContact CA-OD2 3.34Å; I128-V134 HydrophobicContact CB-CG2 4.26Å
129	G	96.7	Very high	95.3	Very high	7 Å²	7	53.1 Å²	53.1	7%	0.072	30%	0.297	C	S	.	.			trans	-156.3	-176.6	175.8	0	0	0	0	0	113.5	C102 V104 C131 D132	C102-G129 CarbonylContact O-C 3.53Å; C102-G129 WeakPolarHBondContact O-CA 3.15Å; V104-G129 VanDerWaalsContact CG1-C 3.46Å; G129-C131 PolarHBondContact O-N 3.17Å; G129-D132 PolarHBondContact N-OD2 2.81Å; G129-D132 WeakPolarHBondContact O-CB 3.29Å; G129-D132 PolarHBondContact O-N 2.97Å; G129-D132 VanDerWaalsContact O-N 3.16Å
130	Q	96	Very high	95.3	Very high	83 Å²	83	51 Å²	51	39%	0.388	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-23.5	-176.8	-74.7	175.8	36.5	0	0	113.8	S99 C102 G103 V104 D132	S99-Q130 VanDerWaalsContact CA-NE2 3.26Å; S99-Q130 VanDerWaalsContact CB-NE2 3.34Å; S99-Q130 PolarHBondContact O-NE2 3.28Å; C102-Q130 HydrophobicContact CB-CB 4.37Å; C102-Q130 PolarHBondContact O-N 3.35Å; G103-Q130 PolarHBondContact O-NE2 3.18Å; V104-Q130 HydrophobicContact CG1-CB 4.29Å; V104-Q130 HydrophobicContact CG1-CG 3.67Å; Q130-D132 VanDerWaalsContact C-N 3.33Å
131	C	95.9	Very high	95.3	Very high	48 Å²	48	49.6 Å²	49.6	32%	0.324	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-6.3	179	-50	0	0	0	0	113	C32 L40 G129	C32-C131 WeakPolarHBondContact CA-SG 3.29Å; C32-C131 HydrophobicContact CB-CB 3.66Å; C32-C131 WeakPolarHBondContact CB-SG 3.29Å; C32-C131 WeakPolarHBondContact SG-CA 3.41Å; C32-C131 WeakPolarHBondContact SG-CB 3.3Å; C32-C131 PolarHBondContact SG-N 3.29Å; C32-C131 CovalentContact SG-SG 2.04Å; C32-C131 PolarHBondContact SG-SG 2.98Å; L40-C131 VanDerWaalsContact CD2-O 3.3Å; L40-C131 WeakPolarHBondContact CD2-O 3.47Å; G129-C131 PolarHBondContact O-N 3.17Å
132	D	97.4	Very high	95.4	Very high	44 Å²	44	50.9 Å²	50.9	24%	0.235	29%	0.288	C	S	.	.	S	Bend	trans	-86.4	169.7	175.9	-67.6	-53.5	0	0	0	111.1	S117 I128 G129 Q130 V134	S117-D132 WeakPolarHBondContact O-CB 3.39Å; I128-D132 WeakPolarHBondContact CA-OD2 3.34Å; G129-D132 PolarHBondContact N-OD2 2.81Å; G129-D132 WeakPolarHBondContact O-CB 3.29Å; G129-D132 PolarHBondContact O-N 2.97Å; G129-D132 VanDerWaalsContact O-N 3.16Å; Q130-D132 VanDerWaalsContact C-N 3.33Å; D132-V134 VanDerWaalsContact C-N 3.25Å; D132-V134 HydrophobicContact CB-CG2 4.04Å; D132-V134 PolarHBondContact O-N 2.86Å
133	L	96.4	Very high	95.6	Very high	18 Å²	18	44.5 Å²	44.5	9%	0.094	24%	0.244	C	C	.	.			trans	-76.7	77.9	172.1	-165.6	66.1	0	0	0	110.1	P37 L40 L115 L116 S117 L148	P37-L133 HydrophobicContact CB-CD1 4.03Å; L40-L133 HydrophobicContact CB-CB 4.12Å; L40-L133 HydrophobicContact CD1-CB 4.37Å; L40-L133 HydrophobicContact CD1-CD1 4.23Å; L115-L133 HydrophobicContact CD2-CD2 3.53Å; L115-L133 HydrophobicContact CD2-CG 3.69Å; L115-L133 HydrophobicContact CG-CD2 4.34Å; L115-L133 HydrophobicContact CG-CG 4.35Å; L116-L133 CarbonylContact C-O 3.6Å; S117-L133 PolarHBondContact N-O 3.46Å; S117-L133 WeakPolarHBondContact OG-CA 3.32Å; S117-L133 VanDerWaalsContact OG-CB 3.32Å; S117-L133 WeakPolarHBondContact OG-CB 3.21Å; S117-L133 PolarHBondContact OG-N 3.01Å; L133-L148 HydrophobicContact CD2-CD2 4.34Å
134	V	97.6	Very high	95.9	Very high	33 Å²	33	40.9 Å²	40.9	20%	0.2	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	105.5	178.2	177.9	0	0	0	0	109.3	V104 L106 L115 L116 I128 D132	V104-V134 HydrophobicContact CG1-CG1 4.41Å; V104-V134 HydrophobicContact CG2-CG1 4.41Å; L106-V134 HydrophobicContact CD2-CG1 3.75Å; L115-V134 WeakPolarHBondContact O-CA 3.49Å; L116-V134 HydrophobicContact CD2-CG1 3.93Å; L116-V134 HydrophobicContact CD2-CG2 4.35Å; I128-V134 HydrophobicContact CB-CG2 4.26Å; D132-V134 VanDerWaalsContact C-N 3.25Å; D132-V134 HydrophobicContact CB-CG2 4.04Å; D132-V134 PolarHBondContact O-N 2.86Å
135	E	97.2	Very high	96.2	Very high	72 Å²	72	41 Å²	41	34%	0.336	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	148.1	-175.9	-177.2	55.8	-91.1	0	0	111.4	Y114 L115 W137 N139 L140	Y114-E135 CarbonylContact C-O 3.6Å; Y114-E135 WeakPolarHBondContact CA-O 3.34Å; L115-E135 PolarHBondContact N-O 3.41Å; L115-E135 PolarHBondContact O-N 2.82Å; E135-W137 PolarHBondContact O-N 3.05Å; E135-N139 HydrophobicContact CG-CB 3.94Å; E135-N139 WeakPolarHBondContact OE1-CB 3.48Å; E135-N139 PolarHBondContact OE1-ND2 3.35Å; E135-L140 HydrophobicContact CB-CD2 4.18Å; E135-L140 HydrophobicContact CG-CD2 3.9Å; E135-L140 HydrophobicContact CG-CG 4.25Å
136	S	97.4	Very high	96.3	Very high	16 Å²	16	40.7 Å²	40.7	11%	0.112	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	134.3	171.6	-179.1	0	0	0	0	110.1	N110 D138 N139	N110-S136 PolarHBondContact ND2-OG 3.19Å; S136-D138 PolarHBondContact O-N 3.18Å; S136-D138 VanDerWaalsContact O-N 3.12Å; S136-N139 WeakPolarHBondContact O-CB 3.43Å; S136-N139 PolarHBondContact O-N 3.22Å
137	W	97.8	Very high	96.2	Very high	30 Å²	30	40.4 Å²	40.4	11%	0.114	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-32	-177.2	-176.6	-97.5	0	0	0	113	R49 F81 A112 G113 L115 E135 N139 L140 K145 L148	R49-W137 HydrophobicContact CB-CE3 4.31Å; R49-W137 HydrophobicContact CB-CZ3 4.32Å; R49-W137 HydrophobicContact CG-CD2 4.18Å; R49-W137 HydrophobicContact CG-CE3 3.84Å; R49-W137 HydrophobicContact CG-CZ3 4.29Å; R49-W137 VanDerWaalsContact CZ-NE1 3.32Å; F81-W137 HydrophobicContact CE2-CH2 4.39Å; F81-W137 HydrophobicContact CE2-CZ3 4.07Å; F81-W137 AromaticContact CZ-CH2 3.73Å; F81-W137 HydrophobicContact CZ-CH2 3.73Å; F81-W137 AromaticContact CZ-CZ3 3.87Å; F81-W137 HydrophobicContact CZ-CZ3 3.87Å; A112-W137 HydrophobicContact CB-CB 4.15Å; G113-W137 WeakPolarHBondContact O-CB 3.4Å; G113-W137 PolarHBondContact O-N 3.02Å; L115-W137 HydrophobicContact CB-CE3 4.47Å; E135-W137 PolarHBondContact O-N 3.05Å; W137-N139 VanDerWaalsContact C-N 3.34Å; W137-L140 HydrophobicContact CE3-CD1 3.8Å; W137-L140 HydrophobicContact CZ3-CD1 4.06Å; W137-K145 HydrophobicContact CH2-CB 4.19Å; W137-K145 HydrophobicContact CH2-CG 3.86Å; W137-K145 HydrophobicContact CZ2-CB 4.13Å; W137-K145 HydrophobicContact CZ2-CD 3.93Å; W137-K145 HydrophobicContact CZ2-CG 3.65Å; W137-K145 HydrophobicContact CZ3-CG 4.45Å; W137-K145 WeakPolarHBondContact O-CE 3.03Å; W137-K145 PolarHBondContact O-NZ 2.98Å; W137-L148 HydrophobicContact CH2-CD1 4.24Å; W137-L148 HydrophobicContact CZ3-CD1 3.89Å
138	D	96.3	Very high	96.3	Very high	110 Å²	110	39.4 Å²	39.4	59%	0.588	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-22.8	-179.8	-74.2	-12.2	0	0	0	113.2	A112 S136 L140	A112-D138 HydrophobicContact CB-CB 4.13Å; A112-D138 WeakPolarHBondContact CB-OD1 3.27Å; A112-D138 WeakPolarHBondContact CB-OD2 3.24Å; S136-D138 PolarHBondContact O-N 3.18Å; S136-D138 VanDerWaalsContact O-N 3.12Å; D138-L140 VanDerWaalsContact C-N 3.31Å; D138-L140 PolarHBondContact O-N 2.93Å
139	N	96.2	Very high	96.1	Very high	88 Å²	88	42.9 Å²	42.9	47%	0.471	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-20.1	178	-69.5	-9	0	0	0	113	E135 S136 W137 R193	E135-N139 HydrophobicContact CG-CB 3.94Å; E135-N139 WeakPolarHBondContact OE1-CB 3.48Å; E135-N139 PolarHBondContact OE1-ND2 3.35Å; S136-N139 WeakPolarHBondContact O-CB 3.43Å; S136-N139 PolarHBondContact O-N 3.22Å; W137-N139 VanDerWaalsContact C-N 3.34Å; N139-R193 PolarHBondContact O-NH2 3.26Å; N139-R193 VanDerWaalsContact O-NH2 3.15Å
140	L	95.9	Very high	95.8	Very high	12 Å²	12	47.8 Å²	47.8	6%	0.063	24%	0.241	C	C	.	.	S	Bend	trans	-72.9	136.2	177.9	-62.3	173.6	0	0	0	111.7	L115 E135 W137 D138 Q144 K145 L148	L115-L140 HydrophobicContact CB-CD1 3.81Å; L115-L140 HydrophobicContact CD2-CD1 3.64Å; L115-L140 HydrophobicContact CD2-CD2 4.27Å; L115-L140 HydrophobicContact CG-CD1 4.35Å; E135-L140 HydrophobicContact CB-CD2 4.18Å; E135-L140 HydrophobicContact CG-CD2 3.9Å; E135-L140 HydrophobicContact CG-CG 4.25Å; W137-L140 HydrophobicContact CE3-CD1 3.8Å; W137-L140 HydrophobicContact CZ3-CD1 4.06Å; D138-L140 VanDerWaalsContact C-N 3.31Å; D138-L140 PolarHBondContact O-N 2.93Å; L140-Q144 HydrophobicContact CB-CB 4.43Å; L140-K145 HydrophobicContact CB-CG 4.05Å; L140-K145 WeakPolarHBondContact O-CE 3.35Å; L140-K145 PolarHBondContact O-NZ 2.73Å; L140-L148 HydrophobicContact CD1-CD1 4.42Å
141	S	95	Very high	95.7	Very high	12 Å²	12	44.8 Å²	44.8	8%	0.084	23%	0.226	C	C	.	.			trans	-63.7	159.2	173.8	88.3	0	0	0	0	111.6	S143 Q144 K145 R193	S141-S143 PolarHBondContact O-N 3.1Å; S141-S143 PolarHBondContact OG-N 2.62Å; S141-Q144 PolarHBondContact O-N 3.45Å; S141-Q144 WeakPolarHBondContact OG-CG 3.46Å; S141-Q144 PolarHBondContact OG-N 2.96Å; S141-K145 VanDerWaalsContact O-CG 3.32Å; S141-K145 WeakPolarHBondContact O-CG 2.98Å; S141-K145 PolarHBondContact O-N 3.22Å; S141-R193 WeakPolarHBondContact CB-O 2.96Å; S141-R193 PolarHBondContact OG-O 3.04Å
142	L	94	Very high	95.8	Very high	111 Å²	111	42.6 Å²	42.6	58%	0.581	21%	0.211	S	C	*	.	H	α-helix	trans	-59.8	-35.8	173.6	-174.7	62.3	0	0	0	111.9	K146	L142-K146 WeakPolarHBondContact O-CG 3.42Å; L142-K146 PolarHBondContact O-N 3.28Å
143	S	94.9	Very high	95.7	Very high	4 Å²	4	45.4 Å²	45.4	3%	0.028	22%	0.222	C	C	.	.	H	α-helix	trans	-67.9	-44.4	177.8	-62.1	0	0	0	0	111.7	S141 K145 K146 N147 Q194	S141-S143 PolarHBondContact O-N 3.1Å; S141-S143 PolarHBondContact OG-N 2.62Å; S143-K145 PolarHBondContact O-N 3.03Å; S143-K146 PolarHBondContact O-N 3.45Å; S143-N147 WeakPolarHBondContact O-CB 3.47Å; S143-N147 PolarHBondContact O-N 2.75Å; S143-N147 PolarHBondContact O-ND2 2.86Å; S143-N147 PolarHBondContact O-OD1 3.4Å; S143-Q194 WeakPolarHBondContact CB-O 3.44Å; S143-Q194 VanDerWaalsContact CB-OE1 3.28Å; S143-Q194 PolarHBondContact OG-OE1 3.37Å
144	Q	96.2	Very high	95.6	Very high	11 Å²	11	49.2 Å²	49.2	5%	0.051	24%	0.241	C	C	.	.	H	α-helix	trans	-58.7	-48.7	174.1	-75.1	170.6	-34.2	0	0	110.7	L140 S141 K146 N147 L148 A192	L140-Q144 HydrophobicContact CB-CB 4.43Å; S141-Q144 PolarHBondContact O-N 3.45Å; S141-Q144 WeakPolarHBondContact OG-CG 3.46Å; S141-Q144 PolarHBondContact OG-N 2.96Å; Q144-K146 VanDerWaalsContact C-N 3.26Å; Q144-K146 PolarHBondContact O-N 2.03Å; Q144-N147 PolarHBondContact O-N 2.91Å; Q144-N147 VanDerWaalsContact O-N 3.12Å; Q144-L148 WeakPolarHBondContact O-CG 2.97Å; Q144-L148 PolarHBondContact O-N 2.82Å; Q144-A192 PolarHBondContact NE2-O 3.46Å
145	K	95.7	Very high	95.5	Very high	43 Å²	43	47.6 Å²	47.6	19%	0.187	23%	0.231	C	C	.	.	H	α-helix	trans	-55.4	-40.6	176.2	-70.2	170.1	179.2	161.9	0	112.4	W137 L140 S141 S143 N149	W137-K145 HydrophobicContact CH2-CB 4.19Å; W137-K145 HydrophobicContact CH2-CG 3.86Å; W137-K145 HydrophobicContact CZ2-CB 4.13Å; W137-K145 HydrophobicContact CZ2-CD 3.93Å; W137-K145 HydrophobicContact CZ2-CG 3.65Å; W137-K145 HydrophobicContact CZ3-CG 4.45Å; W137-K145 WeakPolarHBondContact O-CE 3.03Å; W137-K145 PolarHBondContact O-NZ 2.98Å; L140-K145 HydrophobicContact CB-CG 4.05Å; L140-K145 WeakPolarHBondContact O-CE 3.35Å; L140-K145 PolarHBondContact O-NZ 2.73Å; S141-K145 VanDerWaalsContact O-CG 3.32Å; S141-K145 WeakPolarHBondContact O-CG 2.98Å; S141-K145 PolarHBondContact O-N 3.22Å; S143-K145 PolarHBondContact O-N 3.03Å; K145-N149 PolarHBondContact O-ND2 2.8Å
146	K	94.3	Very high	95.5	Very high	81 Å²	81	46.3 Å²	46.3	35%	0.352	23%	0.23	S	C	.	.	H	α-helix	trans	-69.7	-45.8	175.8	-75.2	175.8	178.7	179.9	0	111.6	L142 S143 Q144 L148 N149	L142-K146 WeakPolarHBondContact O-CG 3.42Å; L142-K146 PolarHBondContact O-N 3.28Å; S143-K146 PolarHBondContact O-N 3.45Å; Q144-K146 VanDerWaalsContact C-N 3.26Å; Q144-K146 PolarHBondContact O-N 2.03Å; K146-L148 VanDerWaalsContact C-N 3.28Å; K146-L148 PolarHBondContact O-N 3Å; K146-N149 WeakPolarHBondContact O-CB 3.3Å; K146-N149 PolarHBondContact O-N 2.01Å; K146-N149 VanDerWaalsContact O-N 3.12Å; K146-N149 PolarHBondContact O-ND2 3.48Å
147	N	95.9	Very high	95.3	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-63.7	-32.3	-175.1	-68.3	-13	0	0	0	113	S143 Q144 N149 Y150 R151 Y152 Y195	S143-N147 WeakPolarHBondContact O-CB 3.47Å; S143-N147 PolarHBondContact O-N 2.75Å; S143-N147 PolarHBondContact O-ND2 2.86Å; S143-N147 PolarHBondContact O-OD1 3.4Å; Q144-N147 PolarHBondContact O-N 2.91Å; Q144-N147 VanDerWaalsContact O-N 3.12Å; N147-N149 PolarHBondContact O-N 3.16Å; N147-N149 VanDerWaalsContact O-N 3.15Å; N147-Y150 PolarHBondContact O-N 2.04Å; N147-R151 HydrophobicContact CB-CB 4.2Å; N147-R151 PolarHBondContact O-N 3.27Å; N147-R151 WeakPolarHBondContact OD1-CD 3.03Å; N147-R151 PolarHBondContact OD1-NH1 2.86Å; N147-Y152 HydrophobicContact CB-CD1 3.82Å; N147-Y152 HydrophobicContact CB-CD2 4.17Å; N147-Y152 HydrophobicContact CB-CE1 3.53Å; N147-Y152 HydrophobicContact CB-CE2 3.91Å; N147-Y152 HydrophobicContact CB-CG 4.13Å; N147-Y152 PolarHBondContact O-N 3.33Å; N147-Y195 PolarHBondContact ND2-O 3.13Å
148	L	96.8	Very high	95.2	Very high	2 Å²	2	51.5 Å²	51.5	1%	0.01	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-26.9	173.4	-71.9	166.7	0	0	0	114.2	F41 V47 F81 L115 L133 W137 L140 Q144 K146 Y152	F41-L148 HydrophobicContact CD2-CD2 3.83Å; F41-L148 HydrophobicContact CE2-CD2 4.18Å; V47-L148 HydrophobicContact CG1-CD2 4.28Å; F81-L148 HydrophobicContact CD1-CB 3.77Å; F81-L148 WeakPolarHBondContact CD1-O 3.26Å; F81-L148 HydrophobicContact CE1-CB 3.88Å; F81-L148 HydrophobicContact CE2-CD1 4.28Å; F81-L148 HydrophobicContact CG-CB 4.11Å; F81-L148 HydrophobicContact CZ-CB 4.33Å; F81-L148 HydrophobicContact CZ-CD1 4.26Å; L115-L148 HydrophobicContact CD1-CD1 3.89Å; L115-L148 HydrophobicContact CD1-CD2 4.05Å; L115-L148 HydrophobicContact CD2-CD1 3.81Å; L115-L148 HydrophobicContact CD2-CD2 3.94Å; L115-L148 HydrophobicContact CD2-CG 4.49Å; L115-L148 HydrophobicContact CG-CD1 4.49Å; L133-L148 HydrophobicContact CD2-CD2 4.34Å; W137-L148 HydrophobicContact CH2-CD1 4.24Å; W137-L148 HydrophobicContact CZ3-CD1 3.89Å; L140-L148 HydrophobicContact CD1-CD1 4.42Å; Q144-L148 WeakPolarHBondContact O-CG 2.97Å; Q144-L148 PolarHBondContact O-N 2.82Å; K146-L148 VanDerWaalsContact C-N 3.28Å; K146-L148 PolarHBondContact O-N 3Å; L148-Y152 HydrophobicContact CD2-CD2 3.97Å; L148-Y152 HydrophobicContact CD2-CE2 4Å; L148-Y152 HydrophobicContact CG-CD2 4.34Å; L148-Y152 HydrophobicContact CG-CE2 4.17Å
149	N	94.2	Very high	95.2	Very high	75 Å²	75	53.8 Å²	53.8	40%	0.401	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-32.1	-174.6	-62.5	-79.6	0	0	0	113.4	K79 K145 K146 N147	K79-N149 PolarHBondContact NZ-OD1 3.01Å; K145-N149 PolarHBondContact O-ND2 2.8Å; K146-N149 WeakPolarHBondContact O-CB 3.3Å; K146-N149 PolarHBondContact O-N 2.01Å; K146-N149 VanDerWaalsContact O-N 3.12Å; K146-N149 PolarHBondContact O-ND2 3.48Å; N147-N149 PolarHBondContact O-N 3.16Å; N147-N149 VanDerWaalsContact O-N 3.15Å
150	Y	90.6	Very high	95.1	Very high	110 Å²	110	49.8 Å²	49.8	43%	0.431	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-159.1	-36.2	-176.6	65.5	-84.2	0	0	0	113.6	N147 Y152 Q153 M154	N147-Y150 PolarHBondContact O-N 2.04Å; Y150-Y152 PolarHBondContact O-N 3.46Å; Y150-Q153 PolarHBondContact O-N 2.03Å; Y150-M154 HydrophobicContact CD2-CE 3.41Å; Y150-M154 VanDerWaalsContact CD2-CE 3.41Å; Y150-M154 HydrophobicContact CD2-SD 3.88Å; Y150-M154 HydrophobicContact CE2-CE 3.68Å; Y150-M154 WeakPolarHBondContact O-CG 3.45Å; Y150-M154 PolarHBondContact O-N 3.44Å
151	R	94.9	Very high	95	Very high	20 Å²	20	50.6 Å²	50.6	8%	0.075	24%	0.238	C	C	.	.	H	α-helix	trans	-67.1	-39.9	-171.6	-57.7	-162.2	-172.9	103.1	-9.6	114.2	N147 Q153 M154 G155 A196 I198 Y208 G210	N147-R151 HydrophobicContact CB-CB 4.2Å; N147-R151 PolarHBondContact O-N 3.27Å; N147-R151 WeakPolarHBondContact OD1-CD 3.03Å; N147-R151 PolarHBondContact OD1-NH1 2.86Å; R151-Q153 VanDerWaalsContact C-N 3.32Å; R151-Q153 PolarHBondContact O-N 3.44Å; R151-M154 HydrophobicContact CB-CE 4.39Å; R151-M154 HydrophobicContact CG-CE 4.04Å; R151-M154 PolarHBondContact O-N 2.98Å; R151-G155 PolarHBondContact O-N 3.02Å; R151-A196 HydrophobicContact CB-CB 4.08Å; R151-I198 HydrophobicContact CB-CG2 4.45Å; R151-Y208 VanDerWaalsContact NE-CE1 3.32Å; R151-G210 VanDerWaalsContact NH1-CA 3.34Å
152	Y	97.1	Very high	94.9	Very high	2 Å²	2	51.6 Å²	51.6	1%	0.008	24%	0.244	C	C	.	.	H	α-helix	trans	-62.8	-43.1	175.3	-67.7	-27.9	0	0	0	111.3	Q38 F41 N147 L148 Y150 G155 C156 A196	Q38-Y152 HydrophobicContact CB-CD1 3.48Å; Q38-Y152 VanDerWaalsContact CB-CD1 3.48Å; Q38-Y152 HydrophobicContact CB-CE1 3.79Å; Q38-Y152 HydrophobicContact CB-CG 4.14Å; Q38-Y152 HydrophobicContact CG-CD1 3.64Å; Q38-Y152 HydrophobicContact CG-CE1 4.42Å; Q38-Y152 HydrophobicContact CG-CG 4.15Å; F41-Y152 HydrophobicContact CB-CD2 4.06Å; F41-Y152 HydrophobicContact CB-CG 4.36Å; F41-Y152 VanDerWaalsContact CD1-CB 3.49Å; F41-Y152 HydrophobicContact CD2-CD2 4.04Å; F41-Y152 HydrophobicContact CG-CD2 4.02Å; F41-Y152 HydrophobicContact CG-CG 4.28Å; N147-Y152 HydrophobicContact CB-CD1 3.82Å; N147-Y152 HydrophobicContact CB-CD2 4.17Å; N147-Y152 HydrophobicContact CB-CE1 3.53Å; N147-Y152 HydrophobicContact CB-CE2 3.91Å; N147-Y152 HydrophobicContact CB-CG 4.13Å; N147-Y152 PolarHBondContact O-N 3.33Å; L148-Y152 HydrophobicContact CD2-CD2 3.97Å; L148-Y152 HydrophobicContact CD2-CE2 4Å; L148-Y152 HydrophobicContact CG-CD2 4.34Å; L148-Y152 HydrophobicContact CG-CE2 4.17Å; Y150-Y152 PolarHBondContact O-N 3.46Å; Y152-G155 CarbonylContact O-C 3.59Å; Y152-G155 PolarHBondContact O-N 3.3Å; Y152-C156 PolarHBondContact O-N 3.36Å; Y152-C156 PolarHBondContact O-SG 3.47Å; Y152-A196 HydrophobicContact CD1-CB 4.07Å; Y152-A196 HydrophobicContact CE1-CB 4.12Å
153	Q	96.1	Very high	94.9	Very high	103 Å²	103	46.4 Å²	46.4	48%	0.481	22%	0.217	S	C	.	.	H	α-helix	trans	-61.5	-46.4	175.5	-174.2	62.6	35.3	0	0	112.3	F41 Y150 R151 G155 C156	F41-Q153 HydrophobicContact CE1-CB 3.94Å; F41-Q153 HydrophobicContact CZ-CB 4.45Å; Y150-Q153 PolarHBondContact O-N 2.03Å; R151-Q153 VanDerWaalsContact C-N 3.32Å; R151-Q153 PolarHBondContact O-N 3.44Å; Q153-G155 PolarHBondContact O-N 3.32Å; Q153-C156 PolarHBondContact O-N 2.95Å
154	M	93.8	Very high	94.8	Very high	98 Å²	98	50.8 Å²	50.8	48%	0.483	23%	0.233	S	C	.	.	H	α-helix	trans	-60.7	-28.2	176.8	-69.8	-169.9	-44	0	0	112.8	Y150 R151	Y150-M154 HydrophobicContact CD2-CE 3.41Å; Y150-M154 VanDerWaalsContact CD2-CE 3.41Å; Y150-M154 HydrophobicContact CD2-SD 3.88Å; Y150-M154 HydrophobicContact CE2-CE 3.68Å; Y150-M154 WeakPolarHBondContact O-CG 3.45Å; Y150-M154 PolarHBondContact O-N 3.44Å; R151-M154 HydrophobicContact CB-CE 4.39Å; R151-M154 HydrophobicContact CG-CE 4.04Å; R151-M154 PolarHBondContact O-N 2.98Å
155	G	95.9	Very high	94.6	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	3.2	-180	0	0	0	0	0	114.7	Q38 R151 Y152 Q153 E157 C158 C197	Q38-G155 VanDerWaalsContact NE2-CA 3.32Å; Q38-G155 PolarHBondContact NE2-O 3.06Å; R151-G155 PolarHBondContact O-N 3.02Å; Y152-G155 CarbonylContact O-C 3.59Å; Y152-G155 PolarHBondContact O-N 3.3Å; Q153-G155 PolarHBondContact O-N 3.32Å; G155-E157 PolarHBondContact O-N 3.34Å; G155-C158 WeakPolarHBondContact O-CB 3.48Å; G155-C158 PolarHBondContact O-N 3.42Å; G155-C197 WeakPolarHBondContact CA-O 3.06Å
156	C	96.4	Very high	94.4	Very high	45 Å²	45	58.4 Å²	58.4	30%	0.304	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-16.1	-177.8	-68.2	0	0	0	0	114.2	C42 Y152 Q153 C158	C42-C156 VanDerWaalsContact CA-SG 3.52Å; C42-C156 HydrophobicContact CB-CB 3.81Å; C42-C156 WeakPolarHBondContact CB-SG 2.98Å; C42-C156 WeakPolarHBondContact SG-CA 3.28Å; C42-C156 WeakPolarHBondContact SG-CB 3.05Å; C42-C156 CovalentContact SG-SG 2.05Å; C42-C156 PolarHBondContact SG-SG 2.9Å; Y152-C156 PolarHBondContact O-N 3.36Å; Y152-C156 PolarHBondContact O-SG 3.47Å; Q153-C156 PolarHBondContact O-N 2.95Å; C156-C158 VanDerWaalsContact C-N 3.31Å
157	E	94.2	Very high	94.2	Very high	141 Å²	141	61 Å²	61	66%	0.659	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-17.6	169.9	-63.6	-178.2	179.6	0	0	112.7	G155 R199	G155-E157 PolarHBondContact O-N 3.34Å; E157-R199 IonicContact OE2-NH1 3.31Å; E157-R199 PolarHBondContact OE2-NH1 2.95Å
158	C	95.6	Very high	93.9	Very high	13 Å²	13	63 Å²	63	9%	0.088	32%	0.323	C	S	.	.	S	Bend	trans	-88.1	140.6	-178.9	-65.8	0	0	0	0	111.8	G155 C156 C197 I198 R199 C205	G155-C158 WeakPolarHBondContact O-CB 3.48Å; G155-C158 PolarHBondContact O-N 3.42Å; C156-C158 VanDerWaalsContact C-N 3.31Å; C158-C197 HydrophobicContact CB-CB 4.42Å; C158-C197 WeakPolarHBondContact CB-SG 3.42Å; C158-I198 VanDerWaalsContact SG-C 3.56Å; C158-R199 PolarHBondContact SG-N 3.5Å; C158-C205 WeakPolarHBondContact CA-SG 3.28Å; C158-C205 HydrophobicContact CB-CB 3.66Å; C158-C205 WeakPolarHBondContact CB-SG 3.46Å; C158-C205 WeakPolarHBondContact SG-CB 3.49Å; C158-C205 CovalentContact SG-SG 2.03Å; C158-C205 PolarHBondContact SG-SG 2.99Å
159	R	94.6	Very high	93.1	Very high	158 Å²	158	66.3 Å²	66.3	60%	0.596	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.9	136.7	174.6	-173.3	173.9	174.3	171.2	-0.2	110.3	N161 N174 E175 C176	R159-N161 PolarHBondContact NE-OD1 3.47Å; R159-N161 PolarHBondContact NH2-OD1 3.15Å; R159-N174 PolarHBondContact N-O 3.3Å; R159-E175 HydrophobicContact CB-CB 4.11Å; R159-E175 CarbonylContact O-C 3.46Å; R159-E175 WeakPolarHBondContact O-CA 3.42Å; R159-C176 PolarHBondContact O-N 2.98Å
160	I	95.6	Very high	92.2	Very high	4 Å²	4	66 Å²	66	2%	0.021	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	120.1	171.3	-58.8	177.2	0	0	0	107.7	H36 Q38 Q39 C176 W178 C197 W207	H36-I160 HydrophobicContact CB-CD1 3.98Å; H36-I160 HydrophobicContact CB-CG2 4.03Å; Q38-I160 HydrophobicContact CB-CD1 3.95Å; Q38-I160 HydrophobicContact CG-CD1 4.27Å; Q39-I160 HydrophobicContact CG-CB 4.11Å; Q39-I160 HydrophobicContact CG-CD1 4.25Å; Q39-I160 HydrophobicContact CG-CG1 4.44Å; Q39-I160 PolarHBondContact NE2-O 2.94Å; I160-C176 WeakPolarHBondContact CA-O 3.32Å; I160-W178 HydrophobicContact CG2-CB 3.7Å; I160-W178 HydrophobicContact CG2-CG 4.36Å; I160-C197 HydrophobicContact CD1-CB 3.74Å; I160-C197 HydrophobicContact CG1-CB 3.67Å; I160-W207 HydrophobicContact CD1-CH2 3.98Å; I160-W207 HydrophobicContact CD1-CZ3 4.29Å; I160-W207 HydrophobicContact CG1-CH2 4.35Å; I160-W207 HydrophobicContact CG2-CH2 3.95Å; I160-W207 HydrophobicContact CG2-CZ2 4.15Å
161	N	93.2	Very high	91.1	Very high	29 Å²	29	66.2 Å²	66.2	16%	0.155	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	119.1	-178.2	-78.5	-22.5	0	0	0	110	R159 E175 C176 W178	R159-N161 PolarHBondContact NE-OD1 3.47Å; R159-N161 PolarHBondContact NH2-OD1 3.15Å; N161-E175 PolarHBondContact ND2-OE1 3.4Å; N161-E175 PolarHBondContact ND2-OE2 2.92Å; N161-C176 PolarHBondContact N-O 3.11Å; N161-W178 PolarHBondContact O-N 3.31Å
162	T	93.8	Very high	90	Very high	33 Å²	33	67 Å²	67	20%	0.202	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	129.4	176.2	-42.5	0	0	0	0	110.9	Y164 W178 L187	T162-Y164 HydrophobicContact CG2-CD1 4.28Å; T162-Y164 HydrophobicContact CG2-CD2 4.43Å; T162-Y164 HydrophobicContact CG2-CE1 3.78Å; T162-Y164 HydrophobicContact CG2-CE2 3.95Å; T162-W178 HydrophobicContact CG2-CD2 4.43Å; T162-W178 HydrophobicContact CG2-CE3 3.8Å; T162-W178 HydrophobicContact CG2-CZ3 4.2Å; T162-W178 VanDerWaalsContact OG1-CE3 3.27Å; T162-L187 HydrophobicContact CG2-CD2 4.34Å
163	C	93.8	Very high	89.2	Confident	3 Å²	3	73.8 Å²	73.8	2%	0.02	41%	0.413	C	S	.	.			trans	-99.5	108.5	171.2	175.8	0	0	0	0	110.2	C168 L177 W178 T179	C163-C168 HydrophobicContact CB-CB 3.67Å; C163-C168 WeakPolarHBondContact CB-SG 3.43Å; C163-C168 WeakPolarHBondContact SG-CB 3.21Å; C163-C168 CovalentContact SG-SG 2.01Å; C163-C168 PolarHBondContact SG-SG 2.95Å; C163-L177 HydrophobicContact CB-CD1 3.98Å; C163-L177 HydrophobicContact CB-CG 4.17Å; C163-W178 PolarHBondContact N-O 3.19Å; C163-T179 HydrophobicContact CB-CG2 4.26Å
164	Y	92.1	Very high	88.8	Confident	95 Å²	95	73.2 Å²	73.2	37%	0.373	41%	0.413	S	S	.	.			trans	-88.3	-37.5	176.5	-64.7	-72.5	0	0	0	113	P34 T162 W181	P34-Y164 VanDerWaalsContact CB-OH 3.24Å; P34-Y164 WeakPolarHBondContact CB-OH 3.38Å; P34-Y164 VanDerWaalsContact CG-OH 3.27Å; P34-Y164 WeakPolarHBondContact CG-OH 3.38Å; T162-Y164 HydrophobicContact CG2-CD1 4.28Å; T162-Y164 HydrophobicContact CG2-CD2 4.43Å; T162-Y164 HydrophobicContact CG2-CE1 3.78Å; T162-Y164 HydrophobicContact CG2-CE2 3.95Å; Y164-W181 HydrophobicContact CD1-CB 4.41Å; Y164-W181 AromaticContact CD1-CD1 3.62Å; Y164-W181 HydrophobicContact CD1-CD2 4.16Å; Y164-W181 AromaticContact CD1-CG 3.77Å; Y164-W181 HydrophobicContact CD1-CG 3.77Å; Y164-W181 AromaticContact CD1-NE1 3.82Å; Y164-W181 HydrophobicContact CE1-CD2 4.48Å; Y164-W181 HydrophobicContact CE1-CG 4.31Å
165	T	91.8	Very high	88.8	Confident	104 Å²	104	69.1 Å²	69.1	64%	0.638	39%	0.393	S	S	*	.	S	Bend	trans	-145.3	155.2	-176.3	55.8	0	0	0	0	110.4
166	V	91.9	Very high	88.7	Confident	110 Å²	110	69.3 Å²	69.3	67%	0.667	40%	0.395	S	S	*	.	S	Bend	trans	-81.8	147.9	173.2	-66.9	0	0	0	0	111	L182	V166-L182 HydrophobicContact CG1-CD1 4.15Å; V166-L182 HydrophobicContact CG1-CD2 3.72Å
167	P	90.2	Very high	88.6	Confident	136 Å²	136	69 Å²	69	88%	0.883	39%	0.39	S	S	*	.	S	Bend	cis	-82.8	136.8	-1.7	32.8	-33	0	0	0	112.4
168	C	88.9	Confident	88.7	Confident	42 Å²	42	62.3 Å²	62.3	28%	0.284	36%	0.358	S	S	.	.			trans	-129.8	132.6	170.1	60.2	0	0	0	0	108.6	C163 L177	C163-C168 HydrophobicContact CB-CB 3.67Å; C163-C168 WeakPolarHBondContact CB-SG 3.43Å; C163-C168 WeakPolarHBondContact SG-CB 3.21Å; C163-C168 CovalentContact SG-SG 2.01Å; C163-C168 PolarHBondContact SG-SG 2.95Å; C168-L177 HydrophobicContact CB-CD1 4.2Å; C168-L177 HydrophobicContact CB-CD2 4.35Å
169	A	81.3	Confident	88.7	Confident	72 Å²	72	62.9 Å²	62.9	60%	0.595	36%	0.361	S	S	*	.			trans	-137.8	153.2	-178	0	0	0	0	0	108.8	T171	A169-T171 PolarHBondContact O-N 3.12Å; A169-T171 VanDerWaalsContact O-N 3.1Å
170	S	74.2	Confident	88.8	Confident	67 Å²	67	55.5 Å²	55.5	47%	0.469	33%	0.334	S	S	.	.			trans	-60.7	114.6	170.4	-164.6	0	0	0	0	108.2	G172 E175	S170-G172 VanDerWaalsContact C-N 3.29Å; S170-G172 PolarHBondContact OG-O 3.32Å; S170-E175 WeakPolarHBondContact CA-OE1 3.37Å; S170-E175 WeakPolarHBondContact OG-CG 3.33Å
171	T	68.3	Low	88.8	Confident	116 Å²	116	59.8 Å²	59.8	71%	0.712	35%	0.35	S	S	*	.			trans	-82.4	-4.5	-179.1	63	0	0	0	0	113.7	A169 E175	A169-T171 PolarHBondContact O-N 3.12Å; A169-T171 VanDerWaalsContact O-N 3.1Å; T171-E175 PolarHBondContact N-OE1 2.76Å; T171-E175 PolarHBondContact N-OE2 2.92Å; T171-E175 PolarHBondContact OG1-OE1 2.83Å; T171-E175 PolarHBondContact OG1-OE2 3.49Å
172	G	70.9	Confident	88.8	Confident	37 Å²	37	61.4 Å²	61.4	38%	0.381	36%	0.358	S	S	.	.	S	Bend	trans	-163.5	-179.9	177	0	0	0	0	0	114.2	S170 E175	S170-G172 VanDerWaalsContact C-N 3.29Å; S170-G172 PolarHBondContact OG-O 3.32Å; G172-E175 PolarHBondContact N-OE2 2.96Å
173	E	79.8	Confident	88.7	Confident	144 Å²	144	65.8 Å²	65.8	67%	0.673	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-22.1	178.8	-63.8	178.8	168.5	0	0	112.4	S204 C205	E173-S204 CarbonylContact O-C 3.41Å; E173-S204 WeakPolarHBondContact O-CA 3.25Å; E173-S204 WeakPolarHBondContact O-CB 3.48Å; E173-C205 PolarHBondContact O-N 3.41Å
174	N	89.1	Confident	88.7	Confident	90 Å²	90	69.8 Å²	69.8	48%	0.481	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.2	25.4	-174.9	-65.7	-24.7	0	0	0	113.6	R159 T203	R159-N174 PolarHBondContact N-O 3.3Å; N174-T203 PolarHBondContact OD1-O 3.39Å
175	E	92.3	Very high	88.7	Confident	13 Å²	13	71 Å²	71	6%	0.061	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	152.1	-178.2	71.8	-179	-112.8	0	0	114.7	R159 N161 S170 T171 G172	R159-E175 HydrophobicContact CB-CB 4.11Å; R159-E175 CarbonylContact O-C 3.46Å; R159-E175 WeakPolarHBondContact O-CA 3.42Å; N161-E175 PolarHBondContact ND2-OE1 3.4Å; N161-E175 PolarHBondContact ND2-OE2 2.92Å; S170-E175 WeakPolarHBondContact CA-OE1 3.37Å; S170-E175 WeakPolarHBondContact OG-CG 3.33Å; T171-E175 PolarHBondContact N-OE1 2.76Å; T171-E175 PolarHBondContact N-OE2 2.92Å; T171-E175 PolarHBondContact OG1-OE1 2.83Å; T171-E175 PolarHBondContact OG1-OE2 3.49Å; G172-E175 PolarHBondContact N-OE2 2.96Å
176	C	95	Very high	88.7	Confident	4 Å²	4	68.3 Å²	68.3	3%	0.027	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	128.1	166.7	-57.9	0	0	0	0	109.6	R159 I160 N161 W178 C197 G206 W207	R159-C176 PolarHBondContact O-N 2.98Å; I160-C176 WeakPolarHBondContact CA-O 3.32Å; N161-C176 PolarHBondContact N-O 3.11Å; C176-W178 PolarHBondContact O-N 2.81Å; C176-C197 HydrophobicContact CB-CB 3.65Å; C176-C197 WeakPolarHBondContact CB-SG 3.25Å; C176-C197 VanDerWaalsContact SG-CA 3.52Å; C176-C197 WeakPolarHBondContact SG-CB 2.96Å; C176-C197 CovalentContact SG-SG 2.01Å; C176-C197 PolarHBondContact SG-SG 2.01Å; C176-G206 WeakPolarHBondContact SG-CA 3.42Å; C176-W207 HydrophobicContact CB-CD2 3.94Å; C176-W207 HydrophobicContact CB-CE3 4.45Å; C176-W207 HydrophobicContact CB-CG 4.39Å; C176-W207 HydrophobicContact CB-CH2 4.34Å; C176-W207 HydrophobicContact CB-CZ2 3.77Å
177	L	95	Very high	88.7	Confident	38 Å²	38	65.8 Å²	65.8	20%	0.199	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	120.9	174.7	-167.6	68.4	0	0	0	109.9	C163 C168 T179 W207	C163-L177 HydrophobicContact CB-CD1 3.98Å; C163-L177 HydrophobicContact CB-CG 4.17Å; C168-L177 HydrophobicContact CB-CD1 4.2Å; C168-L177 HydrophobicContact CB-CD2 4.35Å; L177-T179 HydrophobicContact CD2-CG2 3.97Å; L177-T179 HydrophobicContact CG-CG2 3.95Å; L177-W207 PolarHBondContact O-NE1 3.34Å
178	W	96	Very high	88.9	Confident	1 Å²	1	62.6 Å²	62.6	0%	0.004	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	109.4	177.8	-177.5	33.8	0	0	0	110.1	H36 I160 N161 T162 C163 C176 D180 L187 Q191 A192 W207	H36-W178 HydrophobicContact CB-CD2 4.33Å; H36-W178 HydrophobicContact CB-CE3 4.18Å; H36-W178 HydrophobicContact CB-CH2 4.47Å; H36-W178 HydrophobicContact CB-CZ3 4.27Å; I160-W178 HydrophobicContact CG2-CB 3.7Å; I160-W178 HydrophobicContact CG2-CG 4.36Å; N161-W178 PolarHBondContact O-N 3.31Å; T162-W178 HydrophobicContact CG2-CD2 4.43Å; T162-W178 HydrophobicContact CG2-CE3 3.8Å; T162-W178 HydrophobicContact CG2-CZ3 4.2Å; T162-W178 VanDerWaalsContact OG1-CE3 3.27Å; C163-W178 PolarHBondContact N-O 3.19Å; C176-W178 PolarHBondContact O-N 2.81Å; W178-D180 PolarHBondContact NE1-OD2 3.14Å; W178-L187 HydrophobicContact CH2-CB 3.87Å; W178-L187 HydrophobicContact CH2-CD2 3.66Å; W178-L187 HydrophobicContact CH2-CG 4.3Å; W178-L187 HydrophobicContact CZ2-CB 4.04Å; W178-L187 HydrophobicContact CZ2-CD2 4.07Å; W178-L187 VanDerWaalsContact CZ2-O 3.24Å; W178-L187 WeakPolarHBondContact CZ2-O 3.31Å; W178-L187 HydrophobicContact CZ3-CD2 4.02Å; W178-Q191 VanDerWaalsContact CA-OE1 3.3Å; W178-Q191 VanDerWaalsContact CD1-OE1 3.25Å; W178-A192 HydrophobicContact CZ2-CB 4.16Å; W178-W207 HydrophobicContact CB-CZ2 4.05Å
179	T	95.6	Very high	89.2	Confident	24 Å²	24	61 Å²	61	15%	0.147	35%	0.348	C	S	.	.			trans	-109.9	2.3	-169	54.2	0	0	0	0	113.7	C163 L177 W181 L182 L183 Q191	C163-T179 HydrophobicContact CB-CG2 4.26Å; L177-T179 HydrophobicContact CD2-CG2 3.97Å; L177-T179 HydrophobicContact CG-CG2 3.95Å; T179-W181 PolarHBondContact O-N 3.01Å; T179-L182 PolarHBondContact O-N 3.45Å; T179-L183 WeakPolarHBondContact O-CG 3.15Å; T179-L183 PolarHBondContact O-N 3.5Å; T179-Q191 PolarHBondContact OG1-NE2 2.79Å; T179-Q191 VanDerWaalsContact OG1-NE2 3.14Å; T179-Q191 PolarHBondContact OG1-OE1 2.79Å
180	D	96.2	Very high	89.8	Confident	3 Å²	3	62.1 Å²	62.1	2%	0.016	34%	0.341	C	S	.	.	H	α-helix	trans	-55.1	-39.9	-179	-68.7	-11.3	0	0	0	111.9	W178 L182 L183 D184 S186 G189 E190 Q191 A192	W178-D180 PolarHBondContact NE1-OD2 3.14Å; D180-L182 PolarHBondContact O-N 2.81Å; D180-L183 PolarHBondContact O-N 3.37Å; D180-D184 WeakPolarHBondContact O-CA 3.46Å; D180-D184 WeakPolarHBondContact O-CB 3.16Å; D180-D184 PolarHBondContact O-N 3.36Å; D180-S186 CarbonylContact C-O 3.12Å; D180-S186 WeakPolarHBondContact CB-O 3.45Å; D180-G189 WeakPolarHBondContact OD2-CA 3.4Å; D180-G189 PolarHBondContact OD2-N 3.21Å; D180-E190 PolarHBondContact OD1-N 2.61Å; D180-Q191 WeakPolarHBondContact OD1-CB 3.27Å; D180-Q191 WeakPolarHBondContact OD1-CG 3.24Å; D180-Q191 PolarHBondContact OD1-N 3.31Å; D180-Q191 PolarHBondContact OD2-N 3.25Å; D180-A192 WeakPolarHBondContact OD2-CB 3.43Å; D180-A192 PolarHBondContact OD2-N 2.78Å
181	W	94.4	Very high	90.8	Very high	94 Å²	94	60.3 Å²	60.3	36%	0.356	33%	0.325	S	S	.	.	H	α-helix	trans	-61.8	-46.8	176.1	-179.4	-88.8	0	0	0	112.2	Y164 T179 L183 N185 S186 L187	Y164-W181 HydrophobicContact CD1-CB 4.41Å; Y164-W181 AromaticContact CD1-CD1 3.62Å; Y164-W181 HydrophobicContact CD1-CD2 4.16Å; Y164-W181 AromaticContact CD1-CG 3.77Å; Y164-W181 HydrophobicContact CD1-CG 3.77Å; Y164-W181 AromaticContact CD1-NE1 3.82Å; Y164-W181 HydrophobicContact CE1-CD2 4.48Å; Y164-W181 HydrophobicContact CE1-CG 4.31Å; T179-W181 PolarHBondContact O-N 3.01Å; W181-L183 VanDerWaalsContact C-N 3.34Å; W181-L183 PolarHBondContact O-N 2.81Å; W181-N185 WeakPolarHBondContact O-CA 3.37Å; W181-N185 PolarHBondContact O-N 3.33Å; W181-S186 PolarHBondContact N-O 3.23Å; W181-L187 HydrophobicContact CB-CD2 4.05Å; W181-L187 HydrophobicContact CE3-CD2 4.03Å; W181-L187 HydrophobicContact CE3-CG 3.89Å; W181-L187 HydrophobicContact CZ3-CG 4.43Å
182	L	94.1	Very high	92.1	Very high	64 Å²	64	54.8 Å²	54.8	34%	0.335	29%	0.291	S	S	.	.	H	α-helix	trans	-63.9	-39.2	-178.9	-179.4	68.9	0	0	0	112.2	V166 T179 D180	V166-L182 HydrophobicContact CG1-CD1 4.15Å; V166-L182 HydrophobicContact CG1-CD2 3.72Å; T179-L182 PolarHBondContact O-N 3.45Å; D180-L182 PolarHBondContact O-N 2.81Å
183	L	92.8	Very high	93.3	Very high	124 Å²	124	57.1 Å²	57.1	65%	0.649	29%	0.288	S	S	*	.	H	α-helix	trans	-89.1	-42.1	-173.1	-61.8	178	0	0	0	113	T179 D180 W181	T179-L183 WeakPolarHBondContact O-CG 3.15Å; T179-L183 PolarHBondContact O-N 3.5Å; D180-L183 PolarHBondContact O-N 3.37Å; W181-L183 VanDerWaalsContact C-N 3.34Å; W181-L183 PolarHBondContact O-N 2.81Å
184	D	92.1	Very high	94	Very high	88 Å²	88	52.7 Å²	52.7	47%	0.471	27%	0.267	S	S	.	.	H	α-helix	trans	-112.3	-3.4	-169.3	-56.9	-29.2	0	0	0	112.7	D180 S186 G189	D180-D184 WeakPolarHBondContact O-CA 3.46Å; D180-D184 WeakPolarHBondContact O-CB 3.16Å; D180-D184 PolarHBondContact O-N 3.36Å; D184-S186 PolarHBondContact O-N 3.16Å; D184-S186 VanDerWaalsContact O-N 3.16Å; D184-G189 WeakPolarHBondContact OD2-CA 3.24Å
185	N	91.8	Very high	94.3	Very high	119 Å²	119	50.8 Å²	50.8	64%	0.636	25%	0.254	S	S	*	.	S	Bend	trans	50.8	34.5	-169.2	-164.5	38.3	0	0	0	112.1	W181	W181-N185 WeakPolarHBondContact O-CA 3.37Å; W181-N185 PolarHBondContact O-N 3.33Å
186	S	93.3	Very high	94.6	Very high	48 Å²	48	50.1 Å²	50.1	34%	0.336	25%	0.251	S	S	.	.			trans	-146.4	137.7	-173.2	177.3	0	0	0	0	110.8	D180 W181 D184 N188	D180-S186 CarbonylContact C-O 3.12Å; D180-S186 WeakPolarHBondContact CB-O 3.45Å; W181-S186 PolarHBondContact N-O 3.23Å; D184-S186 PolarHBondContact O-N 3.16Å; D184-S186 VanDerWaalsContact O-N 3.16Å; S186-N188 PolarHBondContact O-N 3.08Å; S186-N188 PolarHBondContact OG-N 2.99Å; S186-N188 VanDerWaalsContact OG-N 3.15Å
187	L	92.5	Very high	94.7	Very high	58 Å²	58	50 Å²	50	30%	0.304	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	10.3	173	-61.9	169.6	0	0	0	112.4	P34 T162 W178 W181	P34-L187 HydrophobicContact CB-CD1 3.58Å; P34-L187 HydrophobicContact CB-CD2 4.18Å; P34-L187 HydrophobicContact CG-CD1 3.89Å; T162-L187 HydrophobicContact CG2-CD2 4.34Å; W178-L187 HydrophobicContact CH2-CB 3.87Å; W178-L187 HydrophobicContact CH2-CD2 3.66Å; W178-L187 HydrophobicContact CH2-CG 4.3Å; W178-L187 HydrophobicContact CZ2-CB 4.04Å; W178-L187 HydrophobicContact CZ2-CD2 4.07Å; W178-L187 VanDerWaalsContact CZ2-O 3.24Å; W178-L187 WeakPolarHBondContact CZ2-O 3.31Å; W178-L187 HydrophobicContact CZ3-CD2 4.02Å; W181-L187 HydrophobicContact CB-CD2 4.05Å; W181-L187 HydrophobicContact CE3-CD2 4.03Å; W181-L187 HydrophobicContact CE3-CG 3.89Å; W181-L187 HydrophobicContact CZ3-CG 4.43Å
188	N	93.4	Very high	94.6	Very high	69 Å²	69	49.2 Å²	49.2	37%	0.369	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-127.5	38.7	176.9	-165.5	22.3	0	0	0	110.7	S186 R193	S186-N188 PolarHBondContact O-N 3.08Å; S186-N188 PolarHBondContact OG-N 2.99Å; S186-N188 VanDerWaalsContact OG-N 3.15Å; N188-R193 PolarHBondContact ND2-NH1 3.01Å; N188-R193 VanDerWaalsContact ND2-NH1 3.19Å; N188-R193 VanDerWaalsContact O-CD 3.29Å; N188-R193 WeakPolarHBondContact O-CD 3.05Å; N188-R193 VanDerWaalsContact OD1-CG 3.29Å; N188-R193 WeakPolarHBondContact OD1-CG 3.07Å
189	G	94.4	Very high	94.5	Very high	8 Å²	8	55.1 Å²	55.1	8%	0.082	27%	0.268	C	S	.	.	S	Bend	trans	-80.2	-157.8	-179.3	0	0	0	0	0	113.4	D180 D184 Q191 R193	D180-G189 WeakPolarHBondContact OD2-CA 3.4Å; D180-G189 PolarHBondContact OD2-N 3.21Å; D184-G189 WeakPolarHBondContact OD2-CA 3.24Å; G189-Q191 PolarHBondContact O-N 3.37Å; G189-R193 WeakPolarHBondContact O-CB 3.21Å; G189-R193 VanDerWaalsContact O-CG 3.29Å; G189-R193 WeakPolarHBondContact O-CG 3.21Å; G189-R193 PolarHBondContact O-N 3Å
190	E	94.3	Very high	94.1	Very high	96 Å²	96	59.8 Å²	59.8	45%	0.449	28%	0.283	S	S	.	.	H	α-helix	trans	-62.5	-43.9	-174.3	-157.9	-164.9	150.2	0	0	112.3	D180 R193 Q194 Y195 R209	D180-E190 PolarHBondContact OD1-N 2.61Å; E190-R193 PolarHBondContact O-N 3.05Å; E190-Q194 HydrophobicContact CG-CG 4.21Å; E190-Q194 VanDerWaalsContact O-CB 3.3Å; E190-Q194 WeakPolarHBondContact O-CB 3.47Å; E190-Q194 PolarHBondContact O-N 2.9Å; E190-Y195 HydrophobicContact CG-CE2 3.95Å; E190-Y195 WeakPolarHBondContact O-CD2 3.18Å; E190-Y195 VanDerWaalsContact OE1-CE2 3.31Å; E190-Y195 WeakPolarHBondContact OE1-CE2 3.35Å; E190-Y195 PolarHBondContact OE1-OH 2.82Å; E190-R209 IonicContact OE1-NH1 3.76Å; E190-R209 PolarHBondContact OE1-NH1 3.01Å
191	Q	95.9	Very high	93.6	Very high	28 Å²	28	65.8 Å²	65.8	13%	0.131	33%	0.325	C	S	.	.	H	α-helix	trans	-65.2	-48.9	-177.4	-65.3	172.9	-27.3	0	0	110.7	H36 W178 T179 D180 G189 R193 Q194 Y195 W207	H36-Q191 PolarHBondContact NE2-O 2.71Å; W178-Q191 VanDerWaalsContact CA-OE1 3.3Å; W178-Q191 VanDerWaalsContact CD1-OE1 3.25Å; T179-Q191 PolarHBondContact OG1-NE2 2.79Å; T179-Q191 VanDerWaalsContact OG1-NE2 3.14Å; T179-Q191 PolarHBondContact OG1-OE1 2.79Å; D180-Q191 WeakPolarHBondContact OD1-CB 3.27Å; D180-Q191 WeakPolarHBondContact OD1-CG 3.24Å; D180-Q191 PolarHBondContact OD1-N 3.31Å; D180-Q191 PolarHBondContact OD2-N 3.25Å; G189-Q191 PolarHBondContact O-N 3.37Å; Q191-R193 VanDerWaalsContact C-N 3.29Å; Q191-R193 PolarHBondContact O-N 2.98Å; Q191-Q194 PolarHBondContact O-N 3.48Å; Q191-Y195 PolarHBondContact O-N 2.76Å; Q191-W207 HydrophobicContact CB-CH2 4.46Å; Q191-W207 HydrophobicContact CB-CZ2 4.32Å
192	A	96.2	Very high	93.2	Very high	0 Å²	0	66 Å²	66	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-60	-35.6	176.9	0	0	0	0	0	113.6	H36 P37 Q144 W178 D180	H36-A192 WeakPolarHBondContact NE2-CA 3.35Å; P37-A192 HydrophobicContact CG-CB 4.45Å; Q144-A192 PolarHBondContact NE2-O 3.46Å; W178-A192 HydrophobicContact CZ2-CB 4.16Å; D180-A192 WeakPolarHBondContact OD2-CB 3.43Å; D180-A192 PolarHBondContact OD2-N 2.78Å
193	R	95.3	Very high	92.7	Very high	86 Å²	86	66.1 Å²	66.1	33%	0.325	34%	0.337	S	S	.	.	H	α-helix	trans	-88.5	-27.8	-177.8	-66.5	-175.4	78.7	93.5	5.8	113.6	N139 S141 N188 G189 E190 Q191	N139-R193 PolarHBondContact O-NH2 3.26Å; N139-R193 VanDerWaalsContact O-NH2 3.15Å; S141-R193 WeakPolarHBondContact CB-O 2.96Å; S141-R193 PolarHBondContact OG-O 3.04Å; N188-R193 PolarHBondContact ND2-NH1 3.01Å; N188-R193 VanDerWaalsContact ND2-NH1 3.19Å; N188-R193 VanDerWaalsContact O-CD 3.29Å; N188-R193 WeakPolarHBondContact O-CD 3.05Å; N188-R193 VanDerWaalsContact OD1-CG 3.29Å; N188-R193 WeakPolarHBondContact OD1-CG 3.07Å; G189-R193 WeakPolarHBondContact O-CB 3.21Å; G189-R193 VanDerWaalsContact O-CG 3.29Å; G189-R193 WeakPolarHBondContact O-CG 3.21Å; G189-R193 PolarHBondContact O-N 3Å; E190-R193 PolarHBondContact O-N 3.05Å; Q191-R193 VanDerWaalsContact C-N 3.29Å; Q191-R193 PolarHBondContact O-N 2.98Å
194	Q	94.8	Very high	92.6	Very high	51 Å²	51	61.1 Å²	61.1	24%	0.238	31%	0.312	C	S	.	.	H	α-helix	trans	-121.5	-21	-167.7	-56.4	-62.1	-18.3	0	0	114.9	S143 E190 Q191	S143-Q194 WeakPolarHBondContact CB-O 3.44Å; S143-Q194 VanDerWaalsContact CB-OE1 3.28Å; S143-Q194 PolarHBondContact OG-OE1 3.37Å; E190-Q194 HydrophobicContact CG-CG 4.21Å; E190-Q194 VanDerWaalsContact O-CB 3.3Å; E190-Q194 WeakPolarHBondContact O-CB 3.47Å; E190-Q194 PolarHBondContact O-N 2.9Å; Q191-Q194 PolarHBondContact O-N 3.48Å
195	Y	95.9	Very high	92.7	Very high	50 Å²	50	57.4 Å²	57.4	20%	0.196	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	161.2	-168.8	-63.1	-103.1	0	0	0	112.8	N147 E190 Q191 W207 Y208 R209	N147-Y195 PolarHBondContact ND2-O 3.13Å; E190-Y195 HydrophobicContact CG-CE2 3.95Å; E190-Y195 WeakPolarHBondContact O-CD2 3.18Å; E190-Y195 VanDerWaalsContact OE1-CE2 3.31Å; E190-Y195 WeakPolarHBondContact OE1-CE2 3.35Å; E190-Y195 PolarHBondContact OE1-OH 2.82Å; Q191-Y195 PolarHBondContact O-N 2.76Å; Y195-W207 HydrophobicContact CD1-CB 3.89Å; Y195-W207 HydrophobicContact CG-CB 4.48Å; Y195-Y208 CarbonylContact C-O 3.58Å; Y195-Y208 WeakPolarHBondContact CA-O 3.49Å; Y195-R209 HydrophobicContact CD1-CB 3.9Å; Y195-R209 HydrophobicContact CE1-CB 3.64Å; Y195-R209 HydrophobicContact CE1-CG 4.28Å
196	A	97	Very high	92.8	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	141.7	164.7	0	0	0	0	0	108	R151 Y152 I198 Y208	R151-A196 HydrophobicContact CB-CB 4.08Å; Y152-A196 HydrophobicContact CD1-CB 4.07Å; Y152-A196 HydrophobicContact CE1-CB 4.12Å; A196-I198 HydrophobicContact CB-CG2 4.13Å; A196-Y208 PolarHBondContact N-O 3.06Å; A196-Y208 PolarHBondContact O-N 2.98Å
197	C	96.7	Very high	92.9	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	107.5	174.4	-179	0	0	0	0	108.5	Q38 G155 C158 I160 C176 W207	Q38-C197 PolarHBondContact NE2-O 3.04Å; Q38-C197 PolarHBondContact OE1-O 3.1Å; G155-C197 WeakPolarHBondContact CA-O 3.06Å; C158-C197 HydrophobicContact CB-CB 4.42Å; C158-C197 WeakPolarHBondContact CB-SG 3.42Å; I160-C197 HydrophobicContact CD1-CB 3.74Å; I160-C197 HydrophobicContact CG1-CB 3.67Å; C176-C197 HydrophobicContact CB-CB 3.65Å; C176-C197 WeakPolarHBondContact CB-SG 3.25Å; C176-C197 VanDerWaalsContact SG-CA 3.52Å; C176-C197 WeakPolarHBondContact SG-CB 2.96Å; C176-C197 CovalentContact SG-SG 2.01Å; C176-C197 PolarHBondContact SG-SG 2.01Å; C197-W207 HydrophobicContact CB-CE3 4.04Å; C197-W207 HydrophobicContact CB-CH2 4.38Å; C197-W207 HydrophobicContact CB-CZ3 3.88Å
198	I	94.9	Very high	92.9	Very high	23 Å²	23	54.5 Å²	54.5	12%	0.118	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	154.6	-175	64.4	174.8	0	0	0	111.2	R151 C158 A196 C205 G206 Y208	R151-I198 HydrophobicContact CB-CG2 4.45Å; C158-I198 VanDerWaalsContact SG-C 3.56Å; A196-I198 HydrophobicContact CB-CG2 4.13Å; I198-C205 WeakPolarHBondContact O-CA 3.43Å; I198-G206 PolarHBondContact N-O 3.19Å; I198-G206 PolarHBondContact O-N 3.49Å; I198-Y208 VanDerWaalsContact CD1-CB 3.45Å; I198-Y208 HydrophobicContact CD1-CD1 3.99Å; I198-Y208 HydrophobicContact CD1-CD2 3.9Å; I198-Y208 HydrophobicContact CD1-CG 3.5Å; I198-Y208 VanDerWaalsContact CD1-CG 3.5Å; I198-Y208 HydrophobicContact CG1-CG 4.25Å
199	R	92.9	Very high	92.7	Very high	124 Å²	124	54.2 Å²	54.2	47%	0.468	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	132.3	174.8	-165.3	172	-177.7	-173.6	-7.5	110.5	E157 C158 T203 S204	E157-R199 IonicContact OE2-NH1 3.31Å; E157-R199 PolarHBondContact OE2-NH1 2.95Å; C158-R199 PolarHBondContact SG-N 3.5Å; R199-T203 PolarHBondContact NE-O 3.25Å; R199-S204 CarbonylContact C-O 3.56Å; R199-S204 WeakPolarHBondContact CA-O 3.39Å
200	R	87.9	Confident	91.3	Very high	122 Å²	122	54.1 Å²	54.1	46%	0.46	26%	0.258	S	S	.	.			trans	-92.9	173.3	176.1	-67.4	-168.2	179.9	103.7	1	111	D202 T203 S204 C205 G206	R200-D202 WeakPolarHBondContact CB-OD1 3.42Å; R200-D202 PolarHBondContact O-N 2.98Å; R200-T203 PolarHBondContact O-N 3.43Å; R200-T203 VanDerWaalsContact O-N 3.1Å; R200-S204 WeakPolarHBondContact CB-O 3.35Å; R200-S204 PolarHBondContact N-O 3.43Å; R200-C205 PolarHBondContact NH1-O 3.49Å; R200-G206 VanDerWaalsContact NH1-CA 3.35Å
201	S	85.4	Confident	89.9	Confident	129 Å²	129	50.5 Å²	50.5	90%	0.902	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-29.6	178.2	51.9	0	0	0	0	113.6	T203	S201-T203 PolarHBondContact O-N 2.97Å
202	D	85.4	Confident	88.1	Confident	99 Å²	99	53.6 Å²	53.6	53%	0.529	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	12.6	175.8	63.4	3	0	0	0	112.7	R200 S204	R200-D202 WeakPolarHBondContact CB-OD1 3.42Å; R200-D202 PolarHBondContact O-N 2.98Å; D202-S204 VanDerWaalsContact CG-OG 3.26Å; D202-S204 PolarHBondContact O-N 3.35Å; D202-S204 VanDerWaalsContact O-N 3.12Å; D202-S204 VanDerWaalsContact OD1-CB 3.32Å; D202-S204 WeakPolarHBondContact OD1-CB 3.49Å; D202-S204 PolarHBondContact OD1-N 2.94Å; D202-S204 PolarHBondContact OD1-OG 2.92Å; D202-S204 PolarHBondContact OD2-OG 2.97Å
203	T	83.5	Confident	86.3	Confident	67 Å²	67	58.7 Å²	58.7	41%	0.411	30%	0.301	S	S	.	.	S	Bend	trans	68.6	-7.7	-176.4	71.2	0	0	0	0	116.2	N174 R199 R200 S201	N174-T203 PolarHBondContact OD1-O 3.39Å; R199-T203 PolarHBondContact NE-O 3.25Å; R200-T203 PolarHBondContact O-N 3.43Å; R200-T203 VanDerWaalsContact O-N 3.1Å; S201-T203 PolarHBondContact O-N 2.97Å
204	S	91.4	Very high	84.7	Confident	19 Å²	19	58.5 Å²	58.5	13%	0.133	31%	0.311	C	S	.	.			trans	-71.4	158.4	174.7	75.3	0	0	0	0	112	E173 R199 R200 D202	E173-S204 CarbonylContact O-C 3.41Å; E173-S204 WeakPolarHBondContact O-CA 3.25Å; E173-S204 WeakPolarHBondContact O-CB 3.48Å; R199-S204 CarbonylContact C-O 3.56Å; R199-S204 WeakPolarHBondContact CA-O 3.39Å; R200-S204 WeakPolarHBondContact CB-O 3.35Å; R200-S204 PolarHBondContact N-O 3.43Å; D202-S204 VanDerWaalsContact CG-OG 3.26Å; D202-S204 PolarHBondContact O-N 3.35Å; D202-S204 VanDerWaalsContact O-N 3.12Å; D202-S204 VanDerWaalsContact OD1-CB 3.32Å; D202-S204 WeakPolarHBondContact OD1-CB 3.49Å; D202-S204 PolarHBondContact OD1-N 2.94Å; D202-S204 PolarHBondContact OD1-OG 2.92Å; D202-S204 PolarHBondContact OD2-OG 2.97Å
205	C	94.4	Very high	82.9	Confident	9 Å²	9	64.8 Å²	64.8	6%	0.061	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	147.4	169.5	-68.6	0	0	0	0	110.8	C158 E173 I198 R200	C158-C205 WeakPolarHBondContact CA-SG 3.28Å; C158-C205 HydrophobicContact CB-CB 3.66Å; C158-C205 WeakPolarHBondContact CB-SG 3.46Å; C158-C205 WeakPolarHBondContact SG-CB 3.49Å; C158-C205 CovalentContact SG-SG 2.03Å; C158-C205 PolarHBondContact SG-SG 2.99Å; E173-C205 PolarHBondContact O-N 3.41Å; I198-C205 WeakPolarHBondContact O-CA 3.43Å; R200-C205 PolarHBondContact NH1-O 3.49Å
206	G	93.7	Very high	80.9	Confident	7 Å²	7	71.5 Å²	71.5	7%	0.072	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.9	168.9	167.5	0	0	0	0	0	114.6	C176 I198 R200 Y208	C176-G206 WeakPolarHBondContact SG-CA 3.42Å; I198-G206 PolarHBondContact N-O 3.19Å; I198-G206 PolarHBondContact O-N 3.49Å; R200-G206 VanDerWaalsContact NH1-CA 3.35Å; G206-Y208 PolarHBondContact O-N 3.47Å
207	W	94.8	Very high	78.5	Confident	51 Å²	51	79 Å²	79	19%	0.193	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	129.6	180	-69	124.7	0	0	0	111.6	H36 I160 C176 L177 W178 Q191 Y195 C197	H36-W207 AromaticContact CD2-CH2 3.79Å; H36-W207 AromaticContact CE1-CZ3 3.96Å; H36-W207 AromaticContact NE2-CH2 3.72Å; H36-W207 AromaticContact NE2-CZ3 3.71Å; I160-W207 HydrophobicContact CD1-CH2 3.98Å; I160-W207 HydrophobicContact CD1-CZ3 4.29Å; I160-W207 HydrophobicContact CG1-CH2 4.35Å; I160-W207 HydrophobicContact CG2-CH2 3.95Å; I160-W207 HydrophobicContact CG2-CZ2 4.15Å; C176-W207 HydrophobicContact CB-CD2 3.94Å; C176-W207 HydrophobicContact CB-CE3 4.45Å; C176-W207 HydrophobicContact CB-CG 4.39Å; C176-W207 HydrophobicContact CB-CH2 4.34Å; C176-W207 HydrophobicContact CB-CZ2 3.77Å; L177-W207 PolarHBondContact O-NE1 3.34Å; W178-W207 HydrophobicContact CB-CZ2 4.05Å; Q191-W207 HydrophobicContact CB-CH2 4.46Å; Q191-W207 HydrophobicContact CB-CZ2 4.32Å; Y195-W207 HydrophobicContact CD1-CB 3.89Å; Y195-W207 HydrophobicContact CG-CB 4.48Å; C197-W207 HydrophobicContact CB-CE3 4.04Å; C197-W207 HydrophobicContact CB-CH2 4.38Å; C197-W207 HydrophobicContact CB-CZ3 3.88Å
208	Y	92.6	Very high	76.1	Confident	106 Å²	106	87.7 Å²	87.7	42%	0.416	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	127	175	178.1	-89.9	0	0	0	109.8	R151 Y195 A196 I198 G206	R151-Y208 VanDerWaalsContact NE-CE1 3.32Å; Y195-Y208 CarbonylContact C-O 3.58Å; Y195-Y208 WeakPolarHBondContact CA-O 3.49Å; A196-Y208 PolarHBondContact N-O 3.06Å; A196-Y208 PolarHBondContact O-N 2.98Å; I198-Y208 VanDerWaalsContact CD1-CB 3.45Å; I198-Y208 HydrophobicContact CD1-CD1 3.99Å; I198-Y208 HydrophobicContact CD1-CD2 3.9Å; I198-Y208 HydrophobicContact CD1-CG 3.5Å; I198-Y208 VanDerWaalsContact CD1-CG 3.5Å; I198-Y208 HydrophobicContact CG1-CG 4.25Å; G206-Y208 PolarHBondContact O-N 3.47Å
209	R	89.4	Confident	73.9	Confident	63 Å²	63	94.4 Å²	94.4	24%	0.238	48%	0.484	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	117.9	177.2	-171.8	173.4	168.6	144.2	-3.5	109.9	E190 Y195 G211 P212 P214	E190-R209 IonicContact OE1-NH1 3.76Å; E190-R209 PolarHBondContact OE1-NH1 3.01Å; Y195-R209 HydrophobicContact CD1-CB 3.9Å; Y195-R209 HydrophobicContact CE1-CB 3.64Å; Y195-R209 HydrophobicContact CE1-CG 4.28Å; R209-G211 VanDerWaalsContact C-N 3.3Å; R209-G211 PolarHBondContact O-N 3.32Å; R209-P212 PolarHBondContact NE-O 2.99Å; R209-P212 PolarHBondContact NH2-O 3.14Å; R209-P214 VanDerWaalsContact CZ-CD 3.49Å
210	G	65.9	Low	71.7	Confident	7 Å²	7	94.8 Å²	94.8	7%	0.072	50%	0.496	C	S	.	.			trans	-82.6	0.9	-176.7	0	0	0	0	0	116	R151	R151-G210 VanDerWaalsContact NH1-CA 3.34Å
211	G	64.9	Low	69.5	Low	19 Å²	19	97 Å²	97	20%	0.196	51%	0.513	C	S	.	.	S	Bend	trans	-118.6	171.4	-177.2	0	0	0	0	0	112.7	R209	R209-G211 VanDerWaalsContact C-N 3.3Å; R209-G211 PolarHBondContact O-N 3.32Å
212	P	57.3	Low	67.7	Low	94 Å²	94	96.9 Å²	96.9	61%	0.61	51%	0.507	S	S	*	.	P	Polyproline II helix	trans	-55.5	149.4	173.4	25	-32.4	0	0	0	110.4	R209	R209-P212 PolarHBondContact NE-O 2.99Å; R209-P212 PolarHBondContact NH2-O 3.14Å
213	P	58.6	Low	65.5	Low	106 Å²	106	99.1 Å²	99.1	69%	0.688	52%	0.519	S	S	*	.	P	Polyproline II helix	trans	-54.7	151.1	171.4	24.5	-31.9	0	0	0	109.4	E215	P213-E215 PolarHBondContact O-N 3.42Å
214	P	62	Low	64.1	Low	82 Å²	82	104.9 Å²	104.9	53%	0.532	56%	0.558	S	S	.	*	P	Polyproline II helix	trans	-57.9	138.2	170.7	20.9	-17	0	0	0	107.8	R209 K216	R209-P214 VanDerWaalsContact CZ-CD 3.49Å; P214-K216 PolarHBondContact O-N 3.49Å
215	E	56.9	Low	62.7	Low	183 Å²	183	109.2 Å²	109.2	86%	0.855	58%	0.579	S	S	*	*	P	Polyproline II helix	trans	-55.4	126.1	170.1	-74.6	-179.6	174	0	0	106.9	P213 D217	P213-E215 PolarHBondContact O-N 3.42Å; E215-D217 PolarHBondContact O-N 3.44Å
216	K	53.7	Low	61	Low	191 Å²	191	114.5 Å²	114.5	83%	0.83	61%	0.607	S	S	*	*			trans	-65.3	101.1	178.3	-74	-179	175.8	-179.3	0	107	P214 F218	P214-K216 PolarHBondContact O-N 3.49Å; K216-F218 PolarHBondContact O-N 3.33Å
217	D	46.3	Very low	59.2	Low	157 Å²	157	120.4 Å²	120.4	84%	0.84	64%	0.636	S	S	*	*			trans	-59	122.6	153.2	-74.2	-35.6	0	0	0	106.4	E215 L219	E215-D217 PolarHBondContact O-N 3.44Å; D217-L219 PolarHBondContact O-N 3.33Å
218	F	46.7	Very low	57.1	Low	183 Å²	183	124.5 Å²	124.5	80%	0.803	66%	0.662	S	S	*	*			trans	-52.7	122	-165.7	-73.7	-107	0	0	0	111.6	K216 D220	K216-F218 PolarHBondContact O-N 3.33Å; F218-D220 PolarHBondContact O-N 3.31Å
219	L	48.7	Very low	54.9	Low	164 Å²	164	125.7 Å²	125.7	86%	0.859	68%	0.678	S	S	*	*			trans	-67.4	83.5	154	-81.2	161.8	0	0	0	107.6	D217	D217-L219 PolarHBondContact O-N 3.33Å
220	D	46	Very low	52.6	Low	132 Å²	132	129.9 Å²	129.9	71%	0.706	71%	0.707	S	S	*	*			trans	-98.9	73.2	154.4	-89.2	-21.4	0	0	0	107.9	F218	F218-D220 PolarHBondContact O-N 3.31Å
221	M	42.1	Very low	51.7	Low	168 Å²	168	138.6 Å²	138.6	83%	0.828	75%	0.752	S	S	*	*			trans	-100.4	82.5	147.1	-92.1	165	84.9	0	0	106.2	D223	M221-D223 VanDerWaalsContact C-N 3.32Å; M221-D223 PolarHBondContact O-N 3.48Å; M221-D223 VanDerWaalsContact O-N 3.08Å
222	T	47.7	Very low	50.7	Low	128 Å²	128	147.8 Å²	147.8	79%	0.785	80%	0.795	S	S	*	*			trans	-57	104	148.6	18.3	0	0	0	0	107.2
223	D	38.8	Very low	50.1	Low	146 Å²	146	152.3 Å²	152.3	78%	0.781	81%	0.811	S	S	*	*			trans	-72.2	132.1	165.2	-146.5	10.2	0	0	0	108.1	M221	M221-D223 VanDerWaalsContact C-N 3.32Å; M221-D223 PolarHBondContact O-N 3.48Å; M221-D223 VanDerWaalsContact O-N 3.08Å
224	P	53.8	Low	49.3	Very low	188 Å²	188	156.5 Å²	156.5	100%	1.221	82%	0.822	S	S	*	*			trans	-75	0	165.6	29.6	-31.6	0	0	0	113.2

Retrieved 224 of 224 residues in 268.8 ms (Link to these results)

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