G4VF32_SCHMA Loading...

Putative mitochondria associated granulocyte macrophage csf signaling molecule

AlphaFold DB , UniProt , Accession G4VF32, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 134 aa.

						>G4VF32_SCHMA|G4VF32
MAKYLVQLILSGARVLGRAFAQAVKEEYASSQRVANARQNNGSGGPEQNTYVQNAGISLEEAKQILNVKDIHDISTLNKHYEHLFSSNSKDKGGSFYLQSKVFRAKERIDEELQFEQSERRRNTESKNSHQSGT
					

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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	66.1	Low	79.9	Confident	196 Å²	196	124.7 Å²	124.7	97%	0.966	64%	0.644	S	S	*	*				0	-53.6	0	-58.6	-52.6	-98.9	0	0	113.2	K3 Y4	M1-K3 VanDerWaalsContact C-N 3.32Å; M1-K3 PolarHBondContact O-N 3.23Å; M1-Y4 PolarHBondContact O-N 3.2Å
2	A	81	Confident	79.5	Confident	76 Å²	76	117.2 Å²	117.2	63%	0.628	62%	0.62	S	S	*	*	H	α-helix	trans	-56	-36.2	-176.6	0	0	0	0	0	115.5	Y4 L5 V6	A2-Y4 VanDerWaalsContact C-N 3.32Å; A2-Y4 PolarHBondContact O-N 3.24Å; A2-L5 PolarHBondContact O-N 3.16Å; A2-V6 WeakPolarHBondContact O-CG2 3.46Å; A2-V6 PolarHBondContact O-N 2.93Å; A2-V6 VanDerWaalsContact O-N 3.16Å
3	K	81.2	Confident	79.3	Confident	179 Å²	179	112.8 Å²	112.8	78%	0.778	61%	0.611	S	S	*	*	H	α-helix	trans	-58	-39.4	179.7	-65.7	-177.7	178.6	179.4	0	113.1	M1 Q7	M1-K3 VanDerWaalsContact C-N 3.32Å; M1-K3 PolarHBondContact O-N 3.23Å; K3-Q7 WeakPolarHBondContact O-CB 3.44Å; K3-Q7 PolarHBondContact O-N 3.3Å; K3-Q7 VanDerWaalsContact O-N 3.1Å
4	Y	84.6	Confident	79	Confident	171 Å²	171	118.7 Å²	118.7	67%	0.671	62%	0.62	S	S	*	*	H	α-helix	trans	-70.9	-37.3	-180	-62.6	-70.6	0	0	0	112.4	M1 A2 Q7 L8	M1-Y4 PolarHBondContact O-N 3.2Å; A2-Y4 VanDerWaalsContact C-N 3.32Å; A2-Y4 PolarHBondContact O-N 3.24Å; Y4-Q7 PolarHBondContact O-N 3.32Å; Y4-L8 WeakPolarHBondContact O-CB 3.47Å; Y4-L8 PolarHBondContact O-N 3.1Å
5	L	82.2	Confident	78.8	Confident	115 Å²	115	117.9 Å²	117.9	60%	0.602	62%	0.621	S	S	*	*	H	α-helix	trans	-63.9	-45.1	177.1	-161.2	81.3	0	0	0	110.9	A2 Q7 L8 I9	A2-L5 PolarHBondContact O-N 3.16Å; L5-Q7 VanDerWaalsContact C-N 3.31Å; L5-Q7 PolarHBondContact O-N 2.8Å; L5-L8 PolarHBondContact O-N 3.21Å; L5-I9 HydrophobicContact CG-CD1 4.29Å; L5-I9 VanDerWaalsContact O-CG1 3.31Å; L5-I9 WeakPolarHBondContact O-CG1 3.47Å; L5-I9 PolarHBondContact O-N 3.37Å
6	V	86.1	Confident	78.8	Confident	89 Å²	89	118.7 Å²	118.7	54%	0.539	63%	0.625	S	S	.	*	H	α-helix	trans	-59.9	-43.6	175.6	176.1	0	0	0	0	110.6	A2 L8 I9 L10	A2-V6 WeakPolarHBondContact O-CG2 3.46Å; A2-V6 PolarHBondContact O-N 2.93Å; A2-V6 VanDerWaalsContact O-N 3.16Å; V6-L8 PolarHBondContact O-N 3.04Å; V6-I9 PolarHBondContact O-N 3.42Å; V6-L10 WeakPolarHBondContact O-CB 3.46Å; V6-L10 PolarHBondContact O-N 3.35Å
7	Q	77.8	Confident	78.9	Confident	121 Å²	121	114.1 Å²	114.1	57%	0.565	61%	0.613	S	S	*	*	H	α-helix	trans	-67.4	-34.6	-179.2	-159.4	170.8	0.8	0	0	112.8	K3 Y4 L5 S11	K3-Q7 WeakPolarHBondContact O-CB 3.44Å; K3-Q7 PolarHBondContact O-N 3.3Å; K3-Q7 VanDerWaalsContact O-N 3.1Å; Y4-Q7 PolarHBondContact O-N 3.32Å; L5-Q7 VanDerWaalsContact C-N 3.31Å; L5-Q7 PolarHBondContact O-N 2.8Å; Q7-S11 WeakPolarHBondContact O-CB 3.32Å; Q7-S11 PolarHBondContact O-N 3.5Å; Q7-S11 PolarHBondContact O-OG 3.37Å
8	L	82.8	Confident	78.8	Confident	124 Å²	124	118.1 Å²	118.1	65%	0.649	62%	0.618	S	S	*	*	H	α-helix	trans	-66.6	-47.2	173.9	-175.4	66.8	0	0	0	111.3	Y4 L5 V6 L10 S11 G12	Y4-L8 WeakPolarHBondContact O-CB 3.47Å; Y4-L8 PolarHBondContact O-N 3.1Å; L5-L8 PolarHBondContact O-N 3.21Å; V6-L8 PolarHBondContact O-N 3.04Å; L8-L10 PolarHBondContact O-N 3.36Å; L8-S11 PolarHBondContact O-N 2.63Å; L8-G12 PolarHBondContact O-N 3.02Å
9	I	83	Confident	78.8	Confident	108 Å²	108	115 Å²	115	55%	0.554	61%	0.611	S	S	*	*	H	α-helix	trans	-61.2	-46.5	177.5	-66.3	166.7	0	0	0	110.4	L5 V6 S11 G12 A13	L5-I9 HydrophobicContact CG-CD1 4.29Å; L5-I9 VanDerWaalsContact O-CG1 3.31Å; L5-I9 WeakPolarHBondContact O-CG1 3.47Å; L5-I9 PolarHBondContact O-N 3.37Å; V6-I9 PolarHBondContact O-N 3.42Å; I9-S11 VanDerWaalsContact C-N 3.31Å; I9-S11 PolarHBondContact O-N 3.31Å; I9-G12 PolarHBondContact O-N 2.92Å; I9-A13 WeakPolarHBondContact O-CB 3.03Å; I9-A13 PolarHBondContact O-N 3.21Å
10	L	77.7	Confident	79.1	Confident	122 Å²	122	116.8 Å²	116.8	64%	0.639	61%	0.614	S	S	*	*	H	α-helix	trans	-62.8	-38.2	-179.4	-134.1	70.9	0	0	0	112.2	V6 L8	V6-L10 WeakPolarHBondContact O-CB 3.46Å; V6-L10 PolarHBondContact O-N 3.35Å; L8-L10 PolarHBondContact O-N 3.36Å
11	S	76.7	Confident	79.1	Confident	71 Å²	71	114 Å²	114	50%	0.497	61%	0.608	S	S	.	*	H	α-helix	trans	-71	-43	177.4	-56.6	0	0	0	0	111.6	Q7 L8 I9 R14	Q7-S11 WeakPolarHBondContact O-CB 3.32Å; Q7-S11 PolarHBondContact O-N 3.5Å; Q7-S11 PolarHBondContact O-OG 3.37Å; L8-S11 PolarHBondContact O-N 2.63Å; I9-S11 VanDerWaalsContact C-N 3.31Å; I9-S11 PolarHBondContact O-N 3.31Å; S11-R14 PolarHBondContact O-N 3.5Å
12	G	75.2	Confident	79.6	Confident	34 Å²	34	110.7 Å²	110.7	35%	0.351	59%	0.59	S	S	.	*	H	α-helix	trans	-65.7	-43.6	179.2	0	0	0	0	0	113.4	L8 I9 R14 V15 L16	L8-G12 PolarHBondContact O-N 3.02Å; I9-G12 PolarHBondContact O-N 2.92Å; G12-R14 PolarHBondContact O-N 3.47Å; G12-V15 PolarHBondContact O-N 2.73Å; G12-L16 PolarHBondContact O-N 3.07Å
13	A	76.6	Confident	79.4	Confident	61 Å²	61	109.9 Å²	109.9	50%	0.504	58%	0.583	S	S	.	*	H	α-helix	trans	-61	-32	178.5	0	0	0	0	0	112.6	I9 G17	I9-A13 WeakPolarHBondContact O-CB 3.03Å; I9-A13 PolarHBondContact O-N 3.21Å; A13-G17 PolarHBondContact O-N 2.96Å
14	R	74.8	Confident	79.1	Confident	195 Å²	195	103.7 Å²	103.7	74%	0.736	56%	0.561	S	S	*	*	H	α-helix	trans	-66.7	-37.2	179.6	-131.4	171.6	-162.7	160.9	4	112.7	S11 G12 R18	S11-R14 PolarHBondContact O-N 3.5Å; G12-R14 PolarHBondContact O-N 3.47Å; R14-R18 PolarHBondContact O-N 2.73Å
15	V	76.7	Confident	78.6	Confident	106 Å²	106	103 Å²	103	64%	0.642	56%	0.561	S	S	*	*	H	α-helix	trans	-74.9	-49.5	179.7	-179.5	0	0	0	0	110.3	G12 G17 R18 A19	G12-V15 PolarHBondContact O-N 2.73Å; V15-G17 VanDerWaalsContact C-N 3.34Å; V15-G17 PolarHBondContact O-N 2.99Å; V15-R18 PolarHBondContact O-N 3.24Å; V15-A19 PolarHBondContact O-N 2.9Å
16	L	79	Confident	78	Confident	131 Å²	131	103.9 Å²	103.9	69%	0.686	56%	0.562	S	S	*	*	H	α-helix	trans	-63.2	-39.7	179.3	-65.9	174.3	0	0	0	112	G12 R18 A19 F20	G12-L16 PolarHBondContact O-N 3.07Å; L16-R18 PolarHBondContact O-N 3.39Å; L16-A19 PolarHBondContact O-N 2.94Å; L16-F20 PolarHBondContact O-N 3.29Å
17	G	80.7	Confident	76.7	Confident	40 Å²	40	105.4 Å²	105.4	41%	0.412	56%	0.563	S	S	.	*	H	α-helix	trans	-64.5	-37.9	178.8	0	0	0	0	0	113.6	A13 V15 A21	A13-G17 PolarHBondContact O-N 2.96Å; V15-G17 VanDerWaalsContact C-N 3.34Å; V15-G17 PolarHBondContact O-N 2.99Å; G17-A21 VanDerWaalsContact O-CB 3.31Å; G17-A21 WeakPolarHBondContact O-CB 3.31Å; G17-A21 PolarHBondContact O-N 3.21Å
18	R	76.3	Confident	76	Confident	186 Å²	186	107.6 Å²	107.6	70%	0.702	57%	0.567	S	S	*	*	H	α-helix	trans	-69.1	-42.3	176.7	-76.6	-163.4	177.6	-171.5	0.7	112.1	R14 V15 L16 A21 Q22	R14-R18 PolarHBondContact O-N 2.73Å; V15-R18 PolarHBondContact O-N 3.24Å; L16-R18 PolarHBondContact O-N 3.39Å; R18-A21 PolarHBondContact O-N 3.22Å; R18-Q22 WeakPolarHBondContact O-CB 3.21Å; R18-Q22 PolarHBondContact O-N 3.04Å
19	A	79.5	Confident	75.2	Confident	60 Å²	60	103.3 Å²	103.3	50%	0.496	55%	0.55	S	S	.	*	H	α-helix	trans	-62	-43.6	177	0	0	0	0	0	111.7	V15 L16 Q22 A23	V15-A19 PolarHBondContact O-N 2.9Å; L16-A19 PolarHBondContact O-N 2.94Å; A19-Q22 PolarHBondContact O-N 3.05Å; A19-A23 PolarHBondContact O-N 3.2Å
20	F	83.6	Confident	74.1	Confident	150 Å²	150	100 Å²	100	66%	0.658	54%	0.537	S	S	*	.	H	α-helix	trans	-63.7	-46.6	175.8	-172.4	-96.5	0	0	0	112.1	L16 Q22 A23 V24	L16-F20 PolarHBondContact O-N 3.29Å; F20-Q22 VanDerWaalsContact C-N 3.29Å; F20-Q22 PolarHBondContact O-N 3.17Å; F20-A23 PolarHBondContact O-N 2.92Å; F20-V24 HydrophobicContact CD1-CG2 4.09Å; F20-V24 HydrophobicContact CE1-CG2 3.71Å; F20-V24 HydrophobicContact CZ-CG2 3.96Å; F20-V24 WeakPolarHBondContact O-CG2 3.35Å; F20-V24 PolarHBondContact O-N 3.03Å
21	A	79.9	Confident	73	Confident	60 Å²	60	97 Å²	97	50%	0.496	53%	0.526	S	S	.	.	H	α-helix	trans	-63	-34.7	176.9	0	0	0	0	0	112.6	G17 R18 K25	G17-A21 VanDerWaalsContact O-CB 3.31Å; G17-A21 WeakPolarHBondContact O-CB 3.31Å; G17-A21 PolarHBondContact O-N 3.21Å; R18-A21 PolarHBondContact O-N 3.22Å; A21-K25 WeakPolarHBondContact O-CB 3.4Å; A21-K25 PolarHBondContact O-N 2.89Å
22	Q	76	Confident	72.3	Confident	126 Å²	126	99.9 Å²	99.9	59%	0.589	53%	0.532	S	S	*	.	H	α-helix	trans	-66.3	-46	174.7	-120.5	163.1	-56.1	0	0	111.2	R18 A19 F20 K25 E26	R18-Q22 WeakPolarHBondContact O-CB 3.21Å; R18-Q22 PolarHBondContact O-N 3.04Å; A19-Q22 PolarHBondContact O-N 3.05Å; F20-Q22 VanDerWaalsContact C-N 3.29Å; F20-Q22 PolarHBondContact O-N 3.17Å; Q22-K25 PolarHBondContact O-N 3.25Å; Q22-E26 WeakPolarHBondContact O-CB 3.39Å; Q22-E26 PolarHBondContact O-N 2.94Å
23	A	76.4	Confident	71.4	Confident	59 Å²	59	107.3 Å²	107.3	49%	0.488	55%	0.549	S	S	.	.	H	α-helix	trans	-61.1	-46.4	177.7	0	0	0	0	0	112.2	A19 F20 K25 E26 E27	A19-A23 PolarHBondContact O-N 3.2Å; F20-A23 PolarHBondContact O-N 2.92Å; A23-K25 VanDerWaalsContact C-N 3.35Å; A23-K25 PolarHBondContact O-N 3.32Å; A23-E26 WeakPolarHBondContact O-CB 3.33Å; A23-E26 PolarHBondContact O-N 3.39Å; A23-E27 PolarHBondContact O-N 3.41Å; A23-E27 VanDerWaalsContact O-N 3.16Å
24	V	75.6	Confident	70.3	Confident	49 Å²	49	107.5 Å²	107.5	30%	0.297	54%	0.544	S	S	.	.	H	α-helix	trans	-62.4	-43.5	176.5	174.7	0	0	0	0	110.7	F20 E26 E27 Y28	F20-V24 HydrophobicContact CD1-CG2 4.09Å; F20-V24 HydrophobicContact CE1-CG2 3.71Å; F20-V24 HydrophobicContact CZ-CG2 3.96Å; F20-V24 WeakPolarHBondContact O-CG2 3.35Å; F20-V24 PolarHBondContact O-N 3.03Å; V24-E26 VanDerWaalsContact C-N 3.35Å; V24-E26 PolarHBondContact O-N 3.5Å; V24-E27 PolarHBondContact O-N 3.42Å; V24-Y28 HydrophobicContact CG1-CD2 3.67Å; V24-Y28 HydrophobicContact CG1-CE2 3.59Å; V24-Y28 VanDerWaalsContact O-CD2 3.26Å; V24-Y28 WeakPolarHBondContact O-CD2 3.18Å; V24-Y28 PolarHBondContact O-N 2.94Å; V24-Y28 VanDerWaalsContact O-N 3.1Å
25	K	75	Confident	69.4	Low	155 Å²	155	100.8 Å²	100.8	67%	0.674	53%	0.53	S	S	*	.	H	α-helix	trans	-63.8	-39.1	177.2	-177.4	177.8	178.2	-179.6	0	112.4	A21 Q22 A23 E27 A29	A21-K25 WeakPolarHBondContact O-CB 3.4Å; A21-K25 PolarHBondContact O-N 2.89Å; Q22-K25 PolarHBondContact O-N 3.25Å; A23-K25 VanDerWaalsContact C-N 3.35Å; A23-K25 PolarHBondContact O-N 3.32Å; K25-E27 VanDerWaalsContact C-N 3.29Å; K25-E27 PolarHBondContact O-N 3.38Å; K25-A29 WeakPolarHBondContact O-CB 3.33Å; K25-A29 PolarHBondContact O-N 3.32Å
26	E	68.8	Low	68.6	Low	135 Å²	135	100.5 Å²	100.5	63%	0.631	53%	0.525	S	S	*	.	H	α-helix	trans	-58.6	-44	177.3	-153.3	99.4	-135.2	0	0	110.3	Q22 A23 V24 S30	Q22-E26 WeakPolarHBondContact O-CB 3.39Å; Q22-E26 PolarHBondContact O-N 2.94Å; A23-E26 WeakPolarHBondContact O-CB 3.33Å; A23-E26 PolarHBondContact O-N 3.39Å; V24-E26 VanDerWaalsContact C-N 3.35Å; V24-E26 PolarHBondContact O-N 3.5Å; E26-S30 VanDerWaalsContact O-CB 3.26Å; E26-S30 WeakPolarHBondContact O-CB 3.29Å; E26-S30 PolarHBondContact O-N 3.07Å; E26-S30 PolarHBondContact O-OG 3.24Å
27	E	58	Low	67.5	Low	121 Å²	121	97 Å²	97	57%	0.565	51%	0.514	S	S	*	.	H	α-helix	trans	-70.2	-44.1	-178.6	-167.5	176.3	-165.4	0	0	112.8	A23 V24 K25 S30 S31	A23-E27 PolarHBondContact O-N 3.41Å; A23-E27 VanDerWaalsContact O-N 3.16Å; V24-E27 PolarHBondContact O-N 3.42Å; K25-E27 VanDerWaalsContact C-N 3.29Å; K25-E27 PolarHBondContact O-N 3.38Å; E27-S30 PolarHBondContact O-OG 2.89Å; E27-S30 VanDerWaalsContact O-OG 3.14Å; E27-S31 WeakPolarHBondContact O-CB 3.39Å; E27-S31 PolarHBondContact O-N 2.76Å; E27-S31 VanDerWaalsContact O-N 3.08Å; E27-S31 PolarHBondContact O-OG 3.2Å
28	Y	64.7	Low	66.1	Low	166 Å²	166	100.7 Å²	100.7	65%	0.651	52%	0.516	S	S	*	.	H	α-helix	trans	-65.9	-41.7	175.6	-82.4	-73.5	0	0	0	112.1	V24 Q32	V24-Y28 HydrophobicContact CG1-CD2 3.67Å; V24-Y28 HydrophobicContact CG1-CE2 3.59Å; V24-Y28 VanDerWaalsContact O-CD2 3.26Å; V24-Y28 WeakPolarHBondContact O-CD2 3.18Å; V24-Y28 PolarHBondContact O-N 2.94Å; V24-Y28 VanDerWaalsContact O-N 3.1Å; Y28-Q32 PolarHBondContact O-N 3.25Å
29	A	65.8	Low	65.2	Low	35 Å²	35	99.5 Å²	99.5	29%	0.289	52%	0.519	S	S	.	.	H	α-helix	trans	-72.2	-37.1	179.8	0	0	0	0	0	112.4	K25 S31 R33	K25-A29 WeakPolarHBondContact O-CB 3.33Å; K25-A29 PolarHBondContact O-N 3.32Å; A29-S31 VanDerWaalsContact C-N 3.33Å; A29-R33 VanDerWaalsContact O-CG 3.32Å; A29-R33 WeakPolarHBondContact O-CG 3.31Å; A29-R33 PolarHBondContact O-N 2.79Å
30	S	60.3	Low	64.1	Low	39 Å²	39	103.1 Å²	103.1	27%	0.273	53%	0.529	S	S	.	.	H	α-helix	trans	-66	-38.8	175.5	72.3	0	0	0	0	111.2	E26 E27 Q32 R33 V34	E26-S30 VanDerWaalsContact O-CB 3.26Å; E26-S30 WeakPolarHBondContact O-CB 3.29Å; E26-S30 PolarHBondContact O-N 3.07Å; E26-S30 PolarHBondContact O-OG 3.24Å; E27-S30 PolarHBondContact O-OG 2.89Å; E27-S30 VanDerWaalsContact O-OG 3.14Å; S30-Q32 PolarHBondContact O-N 2.99Å; S30-R33 PolarHBondContact O-N 3.16Å; S30-V34 WeakPolarHBondContact O-CG2 3.35Å; S30-V34 PolarHBondContact O-N 3.41Å
31	S	54.3	Low	62.4	Low	59 Å²	59	101.2 Å²	101.2	41%	0.413	53%	0.526	S	S	.	.	H	α-helix	trans	-62.7	-42.1	-179.7	-61.6	0	0	0	0	112.1	E27 A29 V34 A35	E27-S31 WeakPolarHBondContact O-CB 3.39Å; E27-S31 PolarHBondContact O-N 2.76Å; E27-S31 VanDerWaalsContact O-N 3.08Å; E27-S31 PolarHBondContact O-OG 3.2Å; A29-S31 VanDerWaalsContact C-N 3.33Å; S31-V34 PolarHBondContact O-N 2.7Å; S31-A35 PolarHBondContact O-N 2.91Å; S31-A35 VanDerWaalsContact O-N 3.14Å
32	Q	60.3	Low	60.7	Low	131 Å²	131	102.2 Å²	102.2	61%	0.612	54%	0.542	S	S	*	.	H	α-helix	trans	-68.5	-35.6	175	-72.5	-177	6.4	0	0	112.7	Y28 S30 A35 N36	Y28-Q32 PolarHBondContact O-N 3.25Å; S30-Q32 PolarHBondContact O-N 2.99Å; Q32-A35 PolarHBondContact O-N 3.42Å; Q32-N36 WeakPolarHBondContact O-CB 3.34Å; Q32-N36 PolarHBondContact O-N 3.47Å; Q32-N36 PolarHBondContact O-ND2 2.88Å
33	R	57.2	Low	59.2	Low	190 Å²	190	101.5 Å²	101.5	72%	0.717	55%	0.551	S	S	*	*	H	α-helix	trans	-65	-39.6	177.3	-73	175	-174.6	-179.2	2.9	112.1	A29 S30 A37	A29-R33 VanDerWaalsContact O-CG 3.32Å; A29-R33 WeakPolarHBondContact O-CG 3.31Å; A29-R33 PolarHBondContact O-N 2.79Å; S30-R33 PolarHBondContact O-N 3.16Å; R33-A37 WeakPolarHBondContact O-CB 3.41Å; R33-A37 PolarHBondContact O-N 3.42Å
34	V	54.2	Low	57.7	Low	64 Å²	64	100.8 Å²	100.8	39%	0.388	55%	0.55	S	S	.	.	H	α-helix	trans	-68.1	-42.9	176.3	177.2	0	0	0	0	110.9	S30 S31 N36 A37 R38	S30-V34 WeakPolarHBondContact O-CG2 3.35Å; S30-V34 PolarHBondContact O-N 3.41Å; S31-V34 PolarHBondContact O-N 2.7Å; V34-N36 PolarHBondContact O-N 3.05Å; V34-A37 PolarHBondContact O-N 2.81Å; V34-R38 WeakPolarHBondContact O-CG 3.41Å; V34-R38 PolarHBondContact O-N 3.43Å
35	A	56.4	Low	55.9	Low	55 Å²	55	100.8 Å²	100.8	46%	0.455	56%	0.559	S	S	.	*	H	α-helix	trans	-61.6	-44.6	176	0	0	0	0	0	112.1	S31 Q32 R38 Q39	S31-A35 PolarHBondContact O-N 2.91Å; S31-A35 VanDerWaalsContact O-N 3.14Å; Q32-A35 PolarHBondContact O-N 3.42Å; A35-R38 PolarHBondContact O-N 3.41Å; A35-Q39 PolarHBondContact O-N 3.49Å; A35-Q39 VanDerWaalsContact O-N 3.1Å
36	N	59.3	Low	54.5	Low	100 Å²	100	98.9 Å²	98.9	54%	0.535	56%	0.563	S	S	.	*	H	α-helix	trans	-69.5	-35.8	177.9	-68.6	-14.7	0	0	0	112.4	Q32 V34 R38 Q39 N40	Q32-N36 WeakPolarHBondContact O-CB 3.34Å; Q32-N36 PolarHBondContact O-N 3.47Å; Q32-N36 PolarHBondContact O-ND2 2.88Å; V34-N36 PolarHBondContact O-N 3.05Å; N36-R38 VanDerWaalsContact C-N 3.31Å; N36-R38 PolarHBondContact O-N 2.9Å; N36-Q39 PolarHBondContact O-N 3.47Å; N36-N40 PolarHBondContact O-N 3.27Å
37	A	55.2	Low	53.4	Low	56 Å²	56	100 Å²	100	46%	0.463	57%	0.568	S	S	.	*	H	α-helix	trans	-64.8	-36.1	174	0	0	0	0	0	111.7	R33 V34 N41	R33-A37 WeakPolarHBondContact O-CB 3.41Å; R33-A37 PolarHBondContact O-N 3.42Å; V34-A37 PolarHBondContact O-N 2.81Å; A37-N41 WeakPolarHBondContact O-CB 3.16Å; A37-N41 PolarHBondContact O-N 3.35Å
38	R	51	Low	52.7	Low	118 Å²	118	99.7 Å²	99.7	45%	0.445	57%	0.567	S	S	.	*	H	α-helix	trans	-67.3	-38.1	173.6	-74.5	176.6	177.9	174	2.6	112.8	V34 A35 N36	V34-R38 WeakPolarHBondContact O-CG 3.41Å; V34-R38 PolarHBondContact O-N 3.43Å; A35-R38 PolarHBondContact O-N 3.41Å; N36-R38 VanDerWaalsContact C-N 3.31Å; N36-R38 PolarHBondContact O-N 2.9Å
39	Q	57.7	Low	51.8	Low	162 Å²	162	98.6 Å²	98.6	76%	0.757	57%	0.572	S	S	*	*	H	α-helix	trans	-69.7	-33.9	-179.7	-166.4	176.4	-63.4	0	0	112.5	A35 N36	A35-Q39 PolarHBondContact O-N 3.49Å; A35-Q39 VanDerWaalsContact O-N 3.1Å; N36-Q39 PolarHBondContact O-N 3.47Å
40	N	56.5	Low	50.8	Low	135 Å²	135	101.2 Å²	101.2	72%	0.722	58%	0.584	S	S	*	*	H	α-helix	trans	-94.3	-26.4	-177.2	-79.1	0.5	0	0	0	114.7	N36	N36-N40 PolarHBondContact O-N 3.27Å
41	N	47	Very low	49.8	Very low	111 Å²	111	109.6 Å²	109.6	59%	0.594	61%	0.611	S	S	*	*			trans	-104.6	76.8	176.5	-83.6	5.3	0	0	0	111.2	A37 S43	A37-N41 WeakPolarHBondContact O-CB 3.16Å; A37-N41 PolarHBondContact O-N 3.35Å; N41-S43 PolarHBondContact O-N 3.32Å
42	G	45.3	Very low	49.3	Very low	80 Å²	80	110.8 Å²	110.8	83%	0.825	62%	0.616	S	S	*	*	S	Bend	trans	-67.2	18.1	170.9	0	0	0	0	0	115.3
43	S	44.8	Very low	48.7	Very low	112 Å²	112	112 Å²	112	78%	0.783	62%	0.622	S	S	*	*	S	Bend	trans	-167.8	90.2	-178	45.1	0	0	0	0	109.9	N41	N41-S43 PolarHBondContact O-N 3.32Å
44	G	43.6	Very low	48.3	Very low	44 Å²	44	106.9 Å²	106.9	45%	0.454	61%	0.609	S	S	.	*			trans	-168.5	64.6	-175	0	0	0	0	0	115.3	Q48	G44-Q48 PolarHBondContact O-NE2 3.4Å
45	G	38.5	Very low	48.4	Very low	48 Å²	48	108.8 Å²	108.8	50%	0.495	63%	0.631	S	S	.	*			trans	74.2	136	141.5	0	0	0	0	0	118.5	E47 Q48	G45-E47 PolarHBondContact O-N 3.01Å; G45-Q48 PolarHBondContact O-N 3.48Å; G45-Q48 VanDerWaalsContact O-N 3.15Å
46	P	45	Very low	49.5	Very low	116 Å²	116	109 Å²	109	75%	0.753	64%	0.639	S	S	*	*	G	3₁₀ helix	trans	-64.3	10	174.8	23.3	-27.7	0	0	0	115	Q48 N49	P46-Q48 PolarHBondContact O-N 3.47Å; P46-Q48 VanDerWaalsContact O-N 3.16Å; P46-N49 WeakPolarHBondContact O-CB 3.4Å; P46-N49 PolarHBondContact O-N 3.49Å; P46-N49 VanDerWaalsContact O-N 3.08Å
47	E	46.2	Very low	50.8	Low	157 Å²	157	105.4 Å²	105.4	73%	0.734	62%	0.619	S	S	*	*	G	3₁₀ helix	trans	-62.3	-10.4	158.7	-64.6	-166.9	165.4	0	0	111.8	G45 N49 T50	G45-E47 PolarHBondContact O-N 3.01Å; E47-N49 PolarHBondContact O-N 2.98Å; E47-T50 HydrophobicContact CB-CG2 4.07Å; E47-T50 HydrophobicContact CG-CG2 4.36Å; E47-T50 VanDerWaalsContact O-CA 3.25Å; E47-T50 WeakPolarHBondContact O-CA 3.5Å; E47-T50 WeakPolarHBondContact O-CB 3.44Å; E47-T50 WeakPolarHBondContact O-CG2 3.31Å; E47-T50 PolarHBondContact O-N 3.13Å; E47-T50 PolarHBondContact O-OG1 3.38Å
48	Q	44.5	Very low	52.6	Low	116 Å²	116	104.8 Å²	104.8	54%	0.542	61%	0.612	S	S	.	*	G	3₁₀ helix	trans	-75.9	-8.6	170.5	-67.1	179.2	38.1	0	0	114.4	G44 G45 P46	G44-Q48 PolarHBondContact O-NE2 3.4Å; G45-Q48 PolarHBondContact O-N 3.48Å; G45-Q48 VanDerWaalsContact O-N 3.15Å; P46-Q48 PolarHBondContact O-N 3.47Å; P46-Q48 VanDerWaalsContact O-N 3.16Å
49	N	45.7	Very low	54.6	Low	143 Å²	143	101 Å²	101	77%	0.765	60%	0.6	S	S	*	*	G	3₁₀ helix	trans	-76.3	-11.5	156.2	-97.9	-10.6	0	0	0	111.8	P46 E47 Y51	P46-N49 WeakPolarHBondContact O-CB 3.4Å; P46-N49 PolarHBondContact O-N 3.49Å; P46-N49 VanDerWaalsContact O-N 3.08Å; E47-N49 PolarHBondContact O-N 2.98Å; N49-Y51 PolarHBondContact O-N 2.97Å
50	T	43.6	Very low	56.3	Low	89 Å²	89	98.2 Å²	98.2	55%	0.546	59%	0.587	S	S	.	*	S	Bend	trans	-79.1	94.2	-176.3	76	0	0	0	0	109	E47 V52	E47-T50 HydrophobicContact CB-CG2 4.07Å; E47-T50 HydrophobicContact CG-CG2 4.36Å; E47-T50 VanDerWaalsContact O-CA 3.25Å; E47-T50 WeakPolarHBondContact O-CA 3.5Å; E47-T50 WeakPolarHBondContact O-CB 3.44Å; E47-T50 WeakPolarHBondContact O-CG2 3.31Å; E47-T50 PolarHBondContact O-N 3.13Å; E47-T50 PolarHBondContact O-OG1 3.38Å; T50-V52 PolarHBondContact O-N 3.32Å
51	Y	39.7	Very low	58.2	Low	215 Å²	215	96.5 Å²	96.5	84%	0.843	58%	0.575	S	S	*	*	S	Bend	trans	97.2	-31	147.3	-118.4	-94.7	0	0	0	118.1	N49	N49-Y51 PolarHBondContact O-N 2.97Å
52	V	43.2	Very low	60.5	Low	84 Å²	84	91.2 Å²	91.2	51%	0.509	55%	0.547	S	S	.	.			trans	-159.2	97.8	-154.8	166	0	0	0	0	110.1	T50 N54	T50-V52 PolarHBondContact O-N 3.32Å; V52-N54 HydrophobicContact CG1-CB 4.27Å; V52-N54 WeakPolarHBondContact CG1-OD1 3.26Å
53	Q	48.8	Very low	63	Low	156 Å²	156	89.5 Å²	89.5	73%	0.729	52%	0.516	S	S	*	.	S	Bend		-92.6	65	128.4	-64.1	-153.2	70.1	0	0	106.1	A55	Q53-A55 PolarHBondContact O-N 2.99Å; Q53-A55 VanDerWaalsContact O-N 3.07Å
54	N	48.6	Very low	65.5	Low	83 Å²	83	91 Å²	91	44%	0.444	51%	0.511	S	S	.	.	T	Hydrogen-bonded Turn	trans	62	-17	169.8	-77.1	44.9	0	0	0	124.1	V52	V52-N54 HydrophobicContact CG1-CB 4.27Å; V52-N54 WeakPolarHBondContact CG1-OD1 3.26Å
55	A	56.8	Low	68	Low	105 Å²	105	91.7 Å²	91.7	87%	0.868	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-167.8	3.5	165.9	0	0	0	0	0	116	Q53	Q53-A55 PolarHBondContact O-N 2.99Å; Q53-A55 VanDerWaalsContact O-N 3.07Å
56	G	79	Confident	70.8	Confident	60 Å²	60	89.4 Å²	89.4	62%	0.619	48%	0.48	S	S	*	.	P	Polyproline II helix	trans	-94.8	165.8	-167.9	0	0	0	0	0	115.7
57	I	87.2	Confident	73.4	Confident	23 Å²	23	89.7 Å²	89.7	12%	0.118	48%	0.475	C	S	.	.	P	Polyproline II helix	trans	-92.9	137.6	166.7	-63.1	-177.7	0	0	0	107.6	E61 A62 I65 K101 R104 A105 R108	I57-E61 HydrophobicContact CG2-CB 3.79Å; I57-A62 HydrophobicContact CG2-CB 3.99Å; I57-I65 HydrophobicContact CD1-CD1 4.23Å; I57-I65 HydrophobicContact CG2-CD1 4.27Å; I57-K101 HydrophobicContact CD1-CD 4.17Å; I57-R104 HydrophobicContact CD1-CB 3.41Å; I57-R104 VanDerWaalsContact CD1-CB 3.41Å; I57-R104 HydrophobicContact CG1-CB 4.24Å; I57-A105 HydrophobicContact CD1-CB 4.47Å; I57-R108 VanDerWaalsContact O-CD 3.26Å; I57-R108 WeakPolarHBondContact O-CD 3.38Å; I57-R108 VanDerWaalsContact O-CG 3.26Å; I57-R108 WeakPolarHBondContact O-CG 3.25Å
58	S	91.7	Very high	75.7	Confident	43 Å²	43	82.7 Å²	82.7	30%	0.301	44%	0.443	S	S	.	.	P	Polyproline II helix	trans	-73	159.1	174.5	67.8	0	0	0	0	111.8	E60 E61 A62	S58-E60 VanDerWaalsContact C-N 3.3Å; S58-E60 PolarHBondContact O-N 3.4Å; S58-E61 VanDerWaalsContact CB-OE2 3.31Å; S58-E61 WeakPolarHBondContact CB-OE2 3.29Å; S58-E61 PolarHBondContact N-OE2 2.66Å; S58-E61 PolarHBondContact O-N 3.03Å; S58-E61 VanDerWaalsContact OG-CB 3.3Å; S58-E61 WeakPolarHBondContact OG-CB 3.3Å; S58-E61 WeakPolarHBondContact OG-CG 3.44Å; S58-E61 PolarHBondContact OG-N 3.31Å; S58-E61 PolarHBondContact OG-OE2 3.18Å; S58-A62 WeakPolarHBondContact O-CB 3.28Å; S58-A62 PolarHBondContact O-N 3.35Å
59	L	93	Very high	78.2	Confident	38 Å²	38	86.6 Å²	86.6	20%	0.199	46%	0.458	C	S	.	.	H	α-helix	trans	-60.1	-41.5	178.2	-177.6	62.2	0	0	0	112	A62 K63 I71 I109 E112	L59-A62 PolarHBondContact O-N 3Å; L59-K63 HydrophobicContact CG-CD 4.15Å; L59-K63 WeakPolarHBondContact O-CB 3.37Å; L59-K63 WeakPolarHBondContact O-CG 3.34Å; L59-K63 PolarHBondContact O-N 3.38Å; L59-I71 HydrophobicContact CD1-CG2 4.4Å; L59-I109 HydrophobicContact CD1-CG1 4.1Å; L59-E112 HydrophobicContact CD1-CB 3.99Å; L59-E112 HydrophobicContact CD1-CG 4.05Å; L59-E112 HydrophobicContact CD2-CG 3.77Å
60	E	94.6	Very high	80.5	Confident	105 Å²	105	83.8 Å²	83.8	49%	0.491	44%	0.444	S	S	.	.	H	α-helix	trans	-67.2	-41.4	179	-73.9	-60.9	120.2	0	0	111.9	S58 A62 K63 Q64	S58-E60 VanDerWaalsContact C-N 3.3Å; S58-E60 PolarHBondContact O-N 3.4Å; E60-A62 VanDerWaalsContact C-N 3.34Å; E60-A62 PolarHBondContact O-N 2.9Å; E60-K63 PolarHBondContact O-N 3Å; E60-K63 IonicContact OE1-NZ 2.74Å; E60-K63 PolarHBondContact OE1-NZ 2.97Å; E60-K63 IonicContact OE2-NZ 2.6Å; E60-Q64 VanDerWaalsContact O-CG 3.29Å; E60-Q64 WeakPolarHBondContact O-CG 3.22Å; E60-Q64 PolarHBondContact O-N 3.37Å
61	E	94.6	Very high	82.9	Confident	99 Å²	99	80.2 Å²	80.2	46%	0.463	42%	0.421	S	S	.	.	H	α-helix	trans	-63.2	-40.9	172	-72.1	166.7	137.8	0	0	111.6	I57 S58 K63 Q64 I65	I57-E61 HydrophobicContact CG2-CB 3.79Å; S58-E61 VanDerWaalsContact CB-OE2 3.31Å; S58-E61 WeakPolarHBondContact CB-OE2 3.29Å; S58-E61 PolarHBondContact N-OE2 2.66Å; S58-E61 PolarHBondContact O-N 3.03Å; S58-E61 VanDerWaalsContact OG-CB 3.3Å; S58-E61 WeakPolarHBondContact OG-CB 3.3Å; S58-E61 WeakPolarHBondContact OG-CG 3.44Å; S58-E61 PolarHBondContact OG-N 3.31Å; S58-E61 PolarHBondContact OG-OE2 3.18Å; E61-K63 VanDerWaalsContact C-N 3.35Å; E61-K63 PolarHBondContact O-N 3.48Å; E61-Q64 PolarHBondContact O-N 2.87Å; E61-I65 WeakPolarHBondContact O-CB 3.39Å; E61-I65 VanDerWaalsContact O-CG1 3.27Å; E61-I65 WeakPolarHBondContact O-CG1 3.13Å; E61-I65 PolarHBondContact O-N 3.28Å
62	A	96	Very high	85.6	Confident	0 Å²	0	74.1 Å²	74.1	0%	0	40%	0.4	C	S	.	.	H	α-helix	trans	-62.2	-43.2	178.4	0	0	0	0	0	111.7	I57 S58 L59 E60 Q64 I65 L66 A105 R108 I109	I57-A62 HydrophobicContact CG2-CB 3.99Å; S58-A62 WeakPolarHBondContact O-CB 3.28Å; S58-A62 PolarHBondContact O-N 3.35Å; L59-A62 PolarHBondContact O-N 3Å; E60-A62 VanDerWaalsContact C-N 3.34Å; E60-A62 PolarHBondContact O-N 2.9Å; A62-Q64 VanDerWaalsContact C-N 3.35Å; A62-I65 PolarHBondContact O-N 2.62Å; A62-L66 PolarHBondContact O-N 3.35Å; A62-A105 HydrophobicContact CB-CB 4.02Å; A62-A105 WeakPolarHBondContact CB-O 3.23Å; A62-R108 HydrophobicContact CB-CB 4.08Å; A62-R108 HydrophobicContact CB-CG 4.08Å; A62-I109 HydrophobicContact CB-CD1 4.24Å; A62-I109 HydrophobicContact CB-CG1 3.88Å
63	K	97.3	Very high	88.1	Confident	43 Å²	43	73.4 Å²	73.4	19%	0.187	39%	0.393	C	S	.	.	H	α-helix	trans	-60.7	-42.2	173.7	-76.9	168.9	64	-170.9	0	112.2	L59 E60 E61 N67 V68 K69 I71 I109	L59-K63 HydrophobicContact CG-CD 4.15Å; L59-K63 WeakPolarHBondContact O-CB 3.37Å; L59-K63 WeakPolarHBondContact O-CG 3.34Å; L59-K63 PolarHBondContact O-N 3.38Å; E60-K63 PolarHBondContact O-N 3Å; E60-K63 IonicContact OE1-NZ 2.74Å; E60-K63 PolarHBondContact OE1-NZ 2.97Å; E60-K63 IonicContact OE2-NZ 2.6Å; E61-K63 VanDerWaalsContact C-N 3.35Å; E61-K63 PolarHBondContact O-N 3.48Å; K63-N67 WeakPolarHBondContact O-CA 3.06Å; K63-N67 PolarHBondContact O-N 2.93Å; K63-V68 HydrophobicContact CB-CG2 4.35Å; K63-V68 WeakPolarHBondContact CB-O 3.45Å; K63-V68 HydrophobicContact CG-CG2 4.23Å; K63-V68 PolarHBondContact O-N 3.12Å; K63-K69 WeakPolarHBondContact CE-O 3.42Å; K63-I71 HydrophobicContact CD-CG2 3.95Å; K63-I71 HydrophobicContact CG-CG2 3.73Å; K63-I109 HydrophobicContact CG-CD1 4.37Å
64	Q	97.4	Very high	90.4	Very high	143 Å²	143	69.5 Å²	69.5	67%	0.668	38%	0.377	S	S	*	.	H	α-helix	trans	-66	-46.2	176.4	-72.1	173.7	6.1	0	0	112.1	E60 E61 A62 L66 N67	E60-Q64 VanDerWaalsContact O-CG 3.29Å; E60-Q64 WeakPolarHBondContact O-CG 3.22Å; E60-Q64 PolarHBondContact O-N 3.37Å; E61-Q64 PolarHBondContact O-N 2.87Å; A62-Q64 VanDerWaalsContact C-N 3.35Å; Q64-L66 VanDerWaalsContact C-N 3.34Å; Q64-L66 PolarHBondContact O-N 3.09Å; Q64-N67 PolarHBondContact O-N 3.29Å; Q64-N67 VanDerWaalsContact O-N 3.12Å
65	I	97.1	Very high	92.6	Very high	60 Å²	60	70 Å²	70	31%	0.308	39%	0.387	S	S	.	.	H	α-helix	trans	-58.9	-45.7	178.3	-71.1	165.8	0	0	0	110.8	I57 E61 A62 N67 L84 V102 A105	I57-I65 HydrophobicContact CD1-CD1 4.23Å; I57-I65 HydrophobicContact CG2-CD1 4.27Å; E61-I65 WeakPolarHBondContact O-CB 3.39Å; E61-I65 VanDerWaalsContact O-CG1 3.27Å; E61-I65 WeakPolarHBondContact O-CG1 3.13Å; E61-I65 PolarHBondContact O-N 3.28Å; A62-I65 PolarHBondContact O-N 2.62Å; I65-N67 VanDerWaalsContact C-N 3.26Å; I65-N67 PolarHBondContact O-N 3.39Å; I65-L84 VanDerWaalsContact O-CD1 3.23Å; I65-L84 WeakPolarHBondContact O-CD1 3.39Å; I65-V102 HydrophobicContact CG2-CG2 4.34Å; I65-A105 HydrophobicContact CB-CB 3.94Å; I65-A105 HydrophobicContact CD1-CB 4.12Å; I65-A105 HydrophobicContact CG2-CB 3.73Å
66	L	98.2	Very high	94.6	Very high	0 Å²	0	67.3 Å²	67.3	0%	0	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	2.5	-179.8	-67	173.4	0	0	0	113.3	A62 Q64 V68 L77 H80 Y81 L84 V102 A105 K106 I109	A62-L66 PolarHBondContact O-N 3.35Å; Q64-L66 VanDerWaalsContact C-N 3.34Å; Q64-L66 PolarHBondContact O-N 3.09Å; L66-V68 VanDerWaalsContact C-N 3.28Å; L66-V68 HydrophobicContact CB-CG2 4.16Å; L66-V68 PolarHBondContact O-N 2.98Å; L66-L77 HydrophobicContact CB-CD1 4.46Å; L66-L77 HydrophobicContact CD1-CD1 3.76Å; L66-H80 VanDerWaalsContact O-CB 3.28Å; L66-H80 WeakPolarHBondContact O-CB 3.19Å; L66-H80 PolarHBondContact O-ND1 2.98Å; L66-Y81 HydrophobicContact CD2-CD2 4.25Å; L66-L84 HydrophobicContact CD2-CD1 4.15Å; L66-V102 HydrophobicContact CD2-CG1 3.94Å; L66-A105 HydrophobicContact CD1-CB 4.03Å; L66-A105 HydrophobicContact CG-CB 4.02Å; L66-K106 HydrophobicContact CD1-CB 4.12Å; L66-K106 HydrophobicContact CD1-CD 4.21Å; L66-I109 HydrophobicContact CD1-CD1 3.79Å
67	N	97.5	Very high	95.5	Very high	122 Å²	122	64.4 Å²	64.4	65%	0.652	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.9	50.3	-178.3	-170.8	32.5	0	0	0	112.6	K63 Q64 I65 H80	K63-N67 WeakPolarHBondContact O-CA 3.06Å; K63-N67 PolarHBondContact O-N 2.93Å; Q64-N67 PolarHBondContact O-N 3.29Å; Q64-N67 VanDerWaalsContact O-N 3.12Å; I65-N67 VanDerWaalsContact C-N 3.26Å; I65-N67 PolarHBondContact O-N 3.39Å; N67-H80 PolarHBondContact O-CE1 3.28Å; N67-H80 VanDerWaalsContact O-CE1 3.28Å; N67-H80 PolarHBondContact O-ND1 3.16Å; N67-H80 VanDerWaalsContact O-ND1 3.12Å
68	V	96.5	Very high	96	Very high	10 Å²	10	66.5 Å²	66.5	6%	0.061	34%	0.341	C	S	.	.			trans	-119.8	135.3	178.1	-68.7	0	0	0	0	110.5	K63 L66 T76 L77 I109	K63-V68 HydrophobicContact CB-CG2 4.35Å; K63-V68 WeakPolarHBondContact CB-O 3.45Å; K63-V68 HydrophobicContact CG-CG2 4.23Å; K63-V68 PolarHBondContact O-N 3.12Å; L66-V68 VanDerWaalsContact C-N 3.28Å; L66-V68 HydrophobicContact CB-CG2 4.16Å; L66-V68 PolarHBondContact O-N 2.98Å; V68-T76 HydrophobicContact CG1-CG2 4.32Å; V68-L77 HydrophobicContact CG1-CB 4.4Å; V68-L77 HydrophobicContact CG1-CD1 4.28Å; V68-L77 HydrophobicContact CG2-CD1 4.17Å; V68-I109 HydrophobicContact CG2-CD1 3.87Å
69	K	95.3	Very high	96.3	Very high	197 Å²	197	71.8 Å²	71.8	86%	0.857	36%	0.359	S	S	*	.	S	Bend	trans	-90.1	-45.6	175.8	-66.2	-175.4	-179.4	-179.1	0	111.6	K63	K63-K69 WeakPolarHBondContact CE-O 3.42Å
70	D	95.4	Very high	96.6	Very high	85 Å²	85	72.4 Å²	72.4	46%	0.455	36%	0.36	S	S	.	.			trans	-107.8	122.2	176.5	-174.7	0.1	0	0	0	109	H72	D70-H72 VanDerWaalsContact C-N 3.25Å; D70-H72 WeakPolarHBondContact OD1-CB 3.05Å; D70-H72 IonicContact OD1-CD2 3.28Å; D70-H72 PolarHBondContact OD1-CD2 2.91Å; D70-H72 VanDerWaalsContact OD1-CD2 3.3Å; D70-H72 IonicContact OD1-CG 2.74Å; D70-H72 PolarHBondContact OD1-N 3.3Å
71	I	94.1	Very high	96.7	Very high	14 Å²	14	68.8 Å²	68.8	7%	0.072	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-16.3	178.2	61	170.4	0	0	0	112.4	L59 K63 D73 I109 E112 L113	L59-I71 HydrophobicContact CD1-CG2 4.4Å; K63-I71 HydrophobicContact CD-CG2 3.95Å; K63-I71 HydrophobicContact CG-CG2 3.73Å; I71-D73 VanDerWaalsContact C-N 3.32Å; I71-I109 HydrophobicContact CB-CG2 3.79Å; I71-I109 HydrophobicContact CG2-CD1 4.13Å; I71-I109 HydrophobicContact CG2-CG1 4.23Å; I71-I109 HydrophobicContact CG2-CG2 3.85Å; I71-E112 HydrophobicContact CD1-CB 4.11Å; I71-E112 HydrophobicContact CD1-CG 3.75Å; I71-L113 HydrophobicContact CB-CD2 4.46Å; I71-L113 HydrophobicContact CD1-CD2 4.03Å; I71-L113 HydrophobicContact CD1-CG 4.36Å; I71-L113 HydrophobicContact CG1-CD2 4.03Å
72	H	95.6	Very high	96.9	Very high	87 Å²	87	69.4 Å²	69.4	40%	0.403	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-13.6	177.4	-57.3	-57.6	0	0	0	113.2	D70 I74 L113 E116	D70-H72 VanDerWaalsContact C-N 3.25Å; D70-H72 WeakPolarHBondContact OD1-CB 3.05Å; D70-H72 IonicContact OD1-CD2 3.28Å; D70-H72 PolarHBondContact OD1-CD2 2.91Å; D70-H72 VanDerWaalsContact OD1-CD2 3.3Å; D70-H72 IonicContact OD1-CG 2.74Å; D70-H72 PolarHBondContact OD1-N 3.3Å; H72-I74 PolarHBondContact O-N 3.39Å; H72-L113 WeakPolarHBondContact ND1-CD2 3.44Å; H72-E116 IonicContact CE1-OE1 2.59Å; H72-E116 IonicContact CE1-OE2 2.84Å; H72-E116 PolarHBondContact CE1-OE2 3.13Å; H72-E116 IonicContact ND1-OE2 3.06Å
73	D	96.2	Very high	97	Very high	69 Å²	69	75.3 Å²	75.3	37%	0.369	37%	0.373	S	S	.	.			trans	-76.7	76.5	167.9	-173.8	-5.5	0	0	0	110	I71 S75 T76 L77	I71-D73 VanDerWaalsContact C-N 3.32Å; D73-S75 PolarHBondContact O-N 3.23Å; D73-S75 PolarHBondContact OD1-N 3.12Å; D73-T76 VanDerWaalsContact CG-CB 3.46Å; D73-T76 PolarHBondContact O-N 3.34Å; D73-T76 PolarHBondContact OD1-N 2.93Å; D73-T76 VanDerWaalsContact OD1-N 3.09Å; D73-T76 PolarHBondContact OD1-OG1 3.43Å; D73-T76 WeakPolarHBondContact OD2-CB 3.3Å; D73-T76 PolarHBondContact OD2-OG1 3Å; D73-L77 WeakPolarHBondContact O-CB 3.34Å; D73-L77 PolarHBondContact O-N 2.94Å
74	I	95.9	Very high	97	Very high	74 Å²	74	75.3 Å²	75.3	38%	0.379	38%	0.375	S	S	.	.	H	α-helix	trans	-59.4	-32	-177.4	-53.7	-54.4	0	0	0	111.7	H72 L77 N78 L113	H72-I74 PolarHBondContact O-N 3.39Å; I74-L77 HydrophobicContact CD1-CD2 4.45Å; I74-N78 WeakPolarHBondContact CG2-ND2 3.29Å; I74-N78 WeakPolarHBondContact O-CB 3.27Å; I74-N78 VanDerWaalsContact O-CG 3.31Å; I74-N78 PolarHBondContact O-N 3.16Å; I74-N78 PolarHBondContact O-ND2 2.85Å; I74-L113 HydrophobicContact CD1-CD1 3.54Å
75	S	96.4	Very high	97	Very high	93 Å²	93	71.5 Å²	71.5	65%	0.65	36%	0.356	S	S	*	.	H	α-helix	trans	-66.8	-51.2	180	-170.6	0	0	0	0	110.8	D73 K79	D73-S75 PolarHBondContact O-N 3.23Å; D73-S75 PolarHBondContact OD1-N 3.12Å; S75-K79 VanDerWaalsContact O-CB 3.3Å; S75-K79 WeakPolarHBondContact O-CB 3.31Å; S75-K79 PolarHBondContact O-N 2.92Å
76	T	97	Very high	97	Very high	48 Å²	48	71 Å²	71	29%	0.294	36%	0.358	S	S	.	.	H	α-helix	trans	-64.5	-43	177.1	-62	0	0	0	0	111.2	V68 D73 N78 K79 H80	V68-T76 HydrophobicContact CG1-CG2 4.32Å; D73-T76 VanDerWaalsContact CG-CB 3.46Å; D73-T76 PolarHBondContact O-N 3.34Å; D73-T76 PolarHBondContact OD1-N 2.93Å; D73-T76 VanDerWaalsContact OD1-N 3.09Å; D73-T76 PolarHBondContact OD1-OG1 3.43Å; D73-T76 WeakPolarHBondContact OD2-CB 3.3Å; D73-T76 PolarHBondContact OD2-OG1 3Å; T76-N78 PolarHBondContact O-N 3.47Å; T76-K79 PolarHBondContact O-N 2.74Å; T76-H80 VanDerWaalsContact CG2-CE1 3.47Å; T76-H80 WeakPolarHBondContact CG2-CE1 3.32Å; T76-H80 WeakPolarHBondContact O-CB 3.18Å; T76-H80 PolarHBondContact O-CD2 2.6Å; T76-H80 PolarHBondContact O-N 3.08Å
77	L	97.8	Very high	96.9	Very high	0 Å²	0	73 Å²	73	0%	0	37%	0.372	C	S	.	.	H	α-helix	trans	-54.7	-52.9	176.6	175.3	65.5	0	0	0	112.3	L66 V68 D73 I74 H80 Y81 K106 I109 L113	L66-L77 HydrophobicContact CB-CD1 4.46Å; L66-L77 HydrophobicContact CD1-CD1 3.76Å; V68-L77 HydrophobicContact CG1-CB 4.4Å; V68-L77 HydrophobicContact CG1-CD1 4.28Å; V68-L77 HydrophobicContact CG2-CD1 4.17Å; D73-L77 WeakPolarHBondContact O-CB 3.34Å; D73-L77 PolarHBondContact O-N 2.94Å; I74-L77 HydrophobicContact CD1-CD2 4.45Å; L77-H80 PolarHBondContact O-N 3.18Å; L77-Y81 WeakPolarHBondContact O-CB 3.49Å; L77-Y81 PolarHBondContact O-N 3.46Å; L77-K106 HydrophobicContact CD1-CD 4.05Å; L77-K106 HydrophobicContact CD2-CD 4.26Å; L77-K106 HydrophobicContact CG-CD 4.03Å; L77-I109 HydrophobicContact CD1-CD1 3.71Å; L77-I109 HydrophobicContact CD1-CG2 4.16Å; L77-I109 HydrophobicContact CD2-CG2 3.66Å; L77-L113 HydrophobicContact CD2-CD1 4.35Å
78	N	98.2	Very high	96.8	Very high	67 Å²	67	68.9 Å²	68.9	36%	0.358	35%	0.35	S	S	.	.	H	α-helix	trans	-67.8	-39.4	-179.2	-72	-22	0	0	0	111.7	I74 T76 H80 Y81 E82 K106	I74-N78 WeakPolarHBondContact CG2-ND2 3.29Å; I74-N78 WeakPolarHBondContact O-CB 3.27Å; I74-N78 VanDerWaalsContact O-CG 3.31Å; I74-N78 PolarHBondContact O-N 3.16Å; I74-N78 PolarHBondContact O-ND2 2.85Å; T76-N78 PolarHBondContact O-N 3.47Å; N78-H80 PolarHBondContact O-N 2.88Å; N78-Y81 PolarHBondContact O-N 3.17Å; N78-E82 WeakPolarHBondContact O-CG 3.34Å; N78-E82 PolarHBondContact O-N 2.84Å; N78-K106 WeakPolarHBondContact OD1-CE 3.37Å; N78-K106 PolarHBondContact OD1-NZ 3.37Å
79	K	98.4	Very high	96.7	Very high	154 Å²	154	69.1 Å²	69.1	67%	0.67	35%	0.352	S	S	*	.	H	α-helix	trans	-60.8	-45.8	176.8	-178.1	-178.8	177.4	-176.6	0	111.8	S75 T76 H83	S75-K79 VanDerWaalsContact O-CB 3.3Å; S75-K79 WeakPolarHBondContact O-CB 3.31Å; S75-K79 PolarHBondContact O-N 2.92Å; T76-K79 PolarHBondContact O-N 2.74Å; K79-H83 VanDerWaalsContact O-CB 3.29Å; K79-H83 WeakPolarHBondContact O-CB 3.47Å; K79-H83 PolarHBondContact O-N 3.39Å
80	H	98.5	Very high	96.5	Very high	50 Å²	50	66.6 Å²	66.6	23%	0.231	34%	0.341	C	S	.	.	H	α-helix	trans	-68	-41.7	179	-72	-171.2	0	0	0	111.6	L66 N67 T76 L77 N78 H83 L84	L66-H80 VanDerWaalsContact O-CB 3.28Å; L66-H80 WeakPolarHBondContact O-CB 3.19Å; L66-H80 PolarHBondContact O-ND1 2.98Å; N67-H80 PolarHBondContact O-CE1 3.28Å; N67-H80 VanDerWaalsContact O-CE1 3.28Å; N67-H80 PolarHBondContact O-ND1 3.16Å; N67-H80 VanDerWaalsContact O-ND1 3.12Å; T76-H80 VanDerWaalsContact CG2-CE1 3.47Å; T76-H80 WeakPolarHBondContact CG2-CE1 3.32Å; T76-H80 WeakPolarHBondContact O-CB 3.18Å; T76-H80 PolarHBondContact O-CD2 2.6Å; T76-H80 PolarHBondContact O-N 3.08Å; L77-H80 PolarHBondContact O-N 3.18Å; N78-H80 PolarHBondContact O-N 2.88Å; H80-H83 PolarHBondContact O-N 3.27Å; H80-L84 VanDerWaalsContact O-CB 3.31Å; H80-L84 WeakPolarHBondContact O-CB 3.42Å; H80-L84 VanDerWaalsContact O-CG 3.29Å; H80-L84 WeakPolarHBondContact O-CG 3.34Å; H80-L84 PolarHBondContact O-N 3.41Å
81	Y	98.6	Very high	96.4	Very high	30 Å²	30	68.8 Å²	68.8	12%	0.118	35%	0.353	C	S	.	.	H	α-helix	trans	-56	-55	174	168.6	-101.6	0	0	0	111.7	L66 L77 N78 H83 L84 F85 V102 K106	L66-Y81 HydrophobicContact CD2-CD2 4.25Å; L77-Y81 WeakPolarHBondContact O-CB 3.49Å; L77-Y81 PolarHBondContact O-N 3.46Å; N78-Y81 PolarHBondContact O-N 3.17Å; Y81-H83 VanDerWaalsContact C-N 3.32Å; Y81-H83 PolarHBondContact O-N 2.96Å; Y81-L84 PolarHBondContact O-N 3.5Å; Y81-F85 HydrophobicContact CE2-CB 4.27Å; Y81-F85 HydrophobicContact CE2-CD2 4.13Å; Y81-F85 HydrophobicContact CE2-CG 4.4Å; Y81-F85 WeakPolarHBondContact O-CB 3.27Å; Y81-F85 PolarHBondContact O-N 3.26Å; Y81-V102 HydrophobicContact CD2-CG1 3.73Å; Y81-V102 HydrophobicContact CE2-CG1 4.01Å; Y81-K106 HydrophobicContact CD2-CB 3.6Å; Y81-K106 HydrophobicContact CD2-CD 4.36Å; Y81-K106 HydrophobicContact CD2-CG 3.88Å; Y81-K106 HydrophobicContact CE2-CB 3.86Å; Y81-K106 HydrophobicContact CE2-CG 4.21Å; Y81-K106 HydrophobicContact CG-CB 4.29Å; Y81-K106 HydrophobicContact CG-CD 4.22Å; Y81-K106 HydrophobicContact CG-CG 4.09Å
82	E	98.2	Very high	96.3	Very high	112 Å²	112	73.9 Å²	73.9	52%	0.523	37%	0.374	S	S	.	.	H	α-helix	trans	-62	-41	-179.1	-72.7	-59	150	0	0	112.1	N78 S86	N78-E82 WeakPolarHBondContact O-CG 3.34Å; N78-E82 PolarHBondContact O-N 2.84Å; E82-S86 WeakPolarHBondContact O-CB 3.19Å; E82-S86 PolarHBondContact O-N 2.87Å; E82-S86 PolarHBondContact O-OG 3.3Å
83	H	97.7	Very high	96.2	Very high	123 Å²	123	73.2 Å²	73.2	57%	0.569	39%	0.391	S	S	*	.	H	α-helix	trans	-60.1	-54.4	176	177.8	65.4	0	0	0	111.4	K79 H80 Y81 F85 S86 S87	K79-H83 VanDerWaalsContact O-CB 3.29Å; K79-H83 WeakPolarHBondContact O-CB 3.47Å; K79-H83 PolarHBondContact O-N 3.39Å; H80-H83 PolarHBondContact O-N 3.27Å; Y81-H83 VanDerWaalsContact C-N 3.32Å; Y81-H83 PolarHBondContact O-N 2.96Å; H83-F85 PolarHBondContact O-N 3Å; H83-S86 PolarHBondContact O-OG 2.87Å; H83-S87 WeakPolarHBondContact O-CB 3.39Å; H83-S87 PolarHBondContact O-N 3.38Å; H83-S87 PolarHBondContact O-OG 3.23Å; H83-S87 VanDerWaalsContact O-OG 3.07Å
84	L	97.7	Very high	96.1	Very high	44 Å²	44	70.8 Å²	70.8	23%	0.23	38%	0.382	C	S	.	.	H	α-helix	trans	-66.1	-38.9	-178.2	-71.8	167.5	0	0	0	112.1	I65 L66 H80 Y81 S87 N88 V102	I65-L84 VanDerWaalsContact O-CD1 3.23Å; I65-L84 WeakPolarHBondContact O-CD1 3.39Å; L66-L84 HydrophobicContact CD2-CD1 4.15Å; H80-L84 VanDerWaalsContact O-CB 3.31Å; H80-L84 WeakPolarHBondContact O-CB 3.42Å; H80-L84 VanDerWaalsContact O-CG 3.29Å; H80-L84 WeakPolarHBondContact O-CG 3.34Å; H80-L84 PolarHBondContact O-N 3.41Å; Y81-L84 PolarHBondContact O-N 3.5Å; L84-S87 PolarHBondContact O-OG 2.7Å; L84-N88 WeakPolarHBondContact O-CB 3.4Å; L84-N88 PolarHBondContact O-N 2.88Å; L84-N88 PolarHBondContact O-ND2 3.19Å; L84-V102 HydrophobicContact CB-CG1 3.91Å; L84-V102 HydrophobicContact CB-CG2 3.99Å
85	F	97.7	Very high	96.1	Very high	62 Å²	62	69.1 Å²	69.1	27%	0.272	38%	0.377	S	S	.	.	H	α-helix	trans	-68.4	-45.4	-179.2	-170	-93.3	0	0	0	111.2	Y81 H83 Q99 V102 F103	Y81-F85 HydrophobicContact CE2-CB 4.27Å; Y81-F85 HydrophobicContact CE2-CD2 4.13Å; Y81-F85 HydrophobicContact CE2-CG 4.4Å; Y81-F85 WeakPolarHBondContact O-CB 3.27Å; Y81-F85 PolarHBondContact O-N 3.26Å; H83-F85 PolarHBondContact O-N 3Å; F85-Q99 HydrophobicContact CD2-CB 4.13Å; F85-Q99 HydrophobicContact CD2-CG 4.41Å; F85-Q99 HydrophobicContact CE2-CB 3.75Å; F85-Q99 HydrophobicContact CE2-CG 4.29Å; F85-Q99 HydrophobicContact CZ-CB 4.27Å; F85-Q99 PolarHBondContact O-NE2 3.47Å; F85-V102 HydrophobicContact CB-CG1 4.09Å; F85-V102 HydrophobicContact CD2-CG1 4.41Å; F85-F103 HydrophobicContact CE2-CB 4.18Å
86	S	96.1	Very high	96.1	Very high	50 Å²	50	71.1 Å²	71.1	35%	0.35	37%	0.374	S	S	.	.	H	α-helix	trans	-74.3	-30.2	179.8	69.6	0	0	0	0	113.2	E82 H83 N88 S89 K92	E82-S86 WeakPolarHBondContact O-CB 3.19Å; E82-S86 PolarHBondContact O-N 2.87Å; E82-S86 PolarHBondContact O-OG 3.3Å; H83-S86 PolarHBondContact O-OG 2.87Å; S86-N88 VanDerWaalsContact C-N 3.34Å; S86-S89 PolarHBondContact O-OG 2.93Å; S86-K92 VanDerWaalsContact O-CD 3.32Å; S86-K92 WeakPolarHBondContact O-CD 3.32Å; S86-K92 WeakPolarHBondContact O-CE 3.32Å; S86-K92 PolarHBondContact O-NZ 2.74Å
87	S	95.7	Very high	95.9	Very high	42 Å²	42	76 Å²	76	29%	0.294	39%	0.388	S	S	.	.	H	α-helix	trans	-74.7	-25.1	177.1	70.2	0	0	0	0	112.6	H83 L84	H83-S87 WeakPolarHBondContact O-CB 3.39Å; H83-S87 PolarHBondContact O-N 3.38Å; H83-S87 PolarHBondContact O-OG 3.23Å; H83-S87 VanDerWaalsContact O-OG 3.07Å; L84-S87 PolarHBondContact O-OG 2.7Å
88	N	95.2	Very high	95.9	Very high	36 Å²	36	79.4 Å²	79.4	19%	0.193	41%	0.406	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96	18.3	-178.5	-75.2	-79.4	0	0	0	113.8	L84 S86 G94 S95 L98 Q99	L84-N88 WeakPolarHBondContact O-CB 3.4Å; L84-N88 PolarHBondContact O-N 2.88Å; L84-N88 PolarHBondContact O-ND2 3.19Å; S86-N88 VanDerWaalsContact C-N 3.34Å; N88-G94 CarbonylContact O-C 3.49Å; N88-G94 WeakPolarHBondContact O-CA 3.46Å; N88-S95 PolarHBondContact O-N 3.35Å; N88-S95 VanDerWaalsContact O-N 3.17Å; N88-L98 HydrophobicContact CB-CB 4.03Å; N88-L98 WeakPolarHBondContact OD1-CD1 3.43Å; N88-Q99 HydrophobicContact CB-CG 4.18Å; N88-Q99 WeakPolarHBondContact O-CG 3.26Å
89	S	94.1	Very high	95.8	Very high	14 Å²	14	77.7 Å²	77.7	10%	0.098	40%	0.396	C	S	.	.	S	Bend	trans	-67.3	152.4	173.7	68	0	0	0	0	111.9	S86 D91 K92 G94	S86-S89 PolarHBondContact O-OG 2.93Å; S89-D91 VanDerWaalsContact C-N 3.26Å; S89-D91 WeakPolarHBondContact CB-OD1 3.47Å; S89-D91 PolarHBondContact O-N 3.33Å; S89-D91 VanDerWaalsContact OG-CG 3.27Å; S89-D91 PolarHBondContact OG-OD1 2.99Å; S89-D91 PolarHBondContact OG-OD2 3.41Å; S89-K92 PolarHBondContact O-N 3.13Å; S89-K92 WeakPolarHBondContact OG-CG 3.29Å; S89-G94 WeakPolarHBondContact O-CA 3.35Å; S89-G94 PolarHBondContact O-N 3.44Å
90	K	92.2	Very high	95.6	Very high	145 Å²	145	72 Å²	72	63%	0.63	38%	0.376	S	S	*	.	G	3₁₀ helix	trans	-59.2	-37.4	-175.9	-74.8	179.5	178.4	-79.1	0	112.8	K92 G93	K90-K92 PolarHBondContact O-N 3.47Å; K90-G93 PolarHBondContact O-N 3.24Å
91	D	92.7	Very high	95.4	Very high	131 Å²	131	73.6 Å²	73.6	70%	0.701	38%	0.382	S	S	*	.	G	3₁₀ helix	trans	-65.1	-24.5	177.3	56.6	-63.7	0	0	0	113.2	S89	S89-D91 VanDerWaalsContact C-N 3.26Å; S89-D91 WeakPolarHBondContact CB-OD1 3.47Å; S89-D91 PolarHBondContact O-N 3.33Å; S89-D91 VanDerWaalsContact OG-CG 3.27Å; S89-D91 PolarHBondContact OG-OD1 2.99Å; S89-D91 PolarHBondContact OG-OD2 3.41Å
92	K	93.2	Very high	95.4	Very high	121 Å²	121	72.6 Å²	72.6	53%	0.526	38%	0.379	S	S	.	.	G	3₁₀ helix	trans	-96.3	13.8	176.5	-62.3	179.5	-166.9	167.1	0	113.3	S86 S89 K90 G94	S86-K92 VanDerWaalsContact O-CD 3.32Å; S86-K92 WeakPolarHBondContact O-CD 3.32Å; S86-K92 WeakPolarHBondContact O-CE 3.32Å; S86-K92 PolarHBondContact O-NZ 2.74Å; S89-K92 PolarHBondContact O-N 3.13Å; S89-K92 WeakPolarHBondContact OG-CG 3.29Å; K90-K92 PolarHBondContact O-N 3.47Å; K92-G94 VanDerWaalsContact C-N 3.29Å; K92-G94 PolarHBondContact O-N 3.33Å
93	G	92.4	Very high	95.3	Very high	73 Å²	73	71.2 Å²	71.2	75%	0.753	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.6	6.5	-177.3	0	0	0	0	0	114.4	K90	K90-G93 PolarHBondContact O-N 3.24Å
94	G	95.2	Very high	95.2	Very high	18 Å²	18	71.8 Å²	71.8	19%	0.186	37%	0.368	C	S	.	.			trans	-78.9	-167.2	170.5	0	0	0	0	0	112.7	N88 S89 K92	N88-G94 CarbonylContact O-C 3.49Å; N88-G94 WeakPolarHBondContact O-CA 3.46Å; S89-G94 WeakPolarHBondContact O-CA 3.35Å; S89-G94 PolarHBondContact O-N 3.44Å; K92-G94 VanDerWaalsContact C-N 3.29Å; K92-G94 PolarHBondContact O-N 3.33Å
95	S	96.1	Very high	95.1	Very high	39 Å²	39	69.7 Å²	69.7	27%	0.273	36%	0.357	S	S	.	.			trans	-143.4	154.7	179.2	72.2	0	0	0	0	111.6	N88 Y97 L98 Q99	N88-S95 PolarHBondContact O-N 3.35Å; N88-S95 VanDerWaalsContact O-N 3.17Å; S95-Y97 PolarHBondContact O-N 3.48Å; S95-L98 PolarHBondContact O-N 2.91Å; S95-L98 WeakPolarHBondContact OG-CG 3.47Å; S95-L98 PolarHBondContact OG-N 3.07Å; S95-Q99 PolarHBondContact O-N 3.02Å
96	F	94.6	Very high	95.1	Very high	135 Å²	135	67.8 Å²	67.8	59%	0.592	35%	0.349	S	S	*	.	H	α-helix	trans	-58.2	-31	173.8	-177	-102.4	0	0	0	111.8	S100	F96-S100 VanDerWaalsContact CE1-OG 3.26Å; F96-S100 WeakPolarHBondContact CE1-OG 3.3Å; F96-S100 VanDerWaalsContact O-CB 3.22Å; F96-S100 WeakPolarHBondContact O-CB 3.26Å; F96-S100 PolarHBondContact O-N 3.33Å; F96-S100 PolarHBondContact O-OG 2.85Å
97	Y	94.6	Very high	95.1	Very high	151 Å²	151	68.2 Å²	68.2	59%	0.592	35%	0.346	S	S	*	.	H	α-helix	trans	-62.6	-46.5	174.2	176.8	-99.7	0	0	0	111.8	S95 S100 K101	S95-Y97 PolarHBondContact O-N 3.48Å; Y97-S100 WeakPolarHBondContact O-CB 3.31Å; Y97-S100 PolarHBondContact O-N 3.49Å; Y97-K101 HydrophobicContact CD1-CG 4.47Å; Y97-K101 HydrophobicContact CE1-CG 4.02Å; Y97-K101 HydrophobicContact CE2-CG 4.38Å; Y97-K101 WeakPolarHBondContact O-CG 3.11Å; Y97-K101 PolarHBondContact O-N 2.9Å; Y97-K101 WeakPolarHBondContact OH-CE 3.33Å
98	L	95.9	Very high	95	Very high	71 Å²	71	69 Å²	69	37%	0.372	34%	0.342	S	S	.	.	H	α-helix	trans	-65.1	-45.1	178.5	-66.5	175	0	0	0	111.4	N88 S95 S100 K101 V102	N88-L98 HydrophobicContact CB-CB 4.03Å; N88-L98 WeakPolarHBondContact OD1-CD1 3.43Å; S95-L98 PolarHBondContact O-N 2.91Å; S95-L98 WeakPolarHBondContact OG-CG 3.47Å; S95-L98 PolarHBondContact OG-N 3.07Å; L98-S100 VanDerWaalsContact C-N 3.3Å; L98-S100 PolarHBondContact O-N 3.14Å; L98-K101 PolarHBondContact O-N 3.23Å; L98-K101 VanDerWaalsContact O-N 3.16Å; L98-V102 WeakPolarHBondContact O-CG2 3.3Å; L98-V102 PolarHBondContact O-N 3.1Å
99	Q	96.6	Very high	95.1	Very high	31 Å²	31	67.3 Å²	67.3	15%	0.145	33%	0.333	C	S	.	.	H	α-helix	trans	-58.9	-42.6	172.8	-70.9	-172.1	-47.7	0	0	112	F85 N88 S95 K101 V102 F103	F85-Q99 HydrophobicContact CD2-CB 4.13Å; F85-Q99 HydrophobicContact CD2-CG 4.41Å; F85-Q99 HydrophobicContact CE2-CB 3.75Å; F85-Q99 HydrophobicContact CE2-CG 4.29Å; F85-Q99 HydrophobicContact CZ-CB 4.27Å; F85-Q99 PolarHBondContact O-NE2 3.47Å; N88-Q99 HydrophobicContact CB-CG 4.18Å; N88-Q99 WeakPolarHBondContact O-CG 3.26Å; S95-Q99 PolarHBondContact O-N 3.02Å; Q99-K101 VanDerWaalsContact C-N 3.31Å; Q99-K101 PolarHBondContact O-N 2.73Å; Q99-V102 PolarHBondContact O-N 2.94Å; Q99-F103 VanDerWaalsContact O-CB 3.31Å; Q99-F103 WeakPolarHBondContact O-CB 3.36Å; Q99-F103 PolarHBondContact O-N 3.08Å
100	S	95	Very high	95.1	Very high	35 Å²	35	69.8 Å²	69.8	25%	0.245	35%	0.345	C	S	.	.	H	α-helix	trans	-61.1	-40.5	176.2	-62.2	0	0	0	0	111.4	F96 Y97 L98 F103 R104	F96-S100 VanDerWaalsContact CE1-OG 3.26Å; F96-S100 WeakPolarHBondContact CE1-OG 3.3Å; F96-S100 VanDerWaalsContact O-CB 3.22Å; F96-S100 WeakPolarHBondContact O-CB 3.26Å; F96-S100 PolarHBondContact O-N 3.33Å; F96-S100 PolarHBondContact O-OG 2.85Å; Y97-S100 WeakPolarHBondContact O-CB 3.31Å; Y97-S100 PolarHBondContact O-N 3.49Å; L98-S100 VanDerWaalsContact C-N 3.3Å; L98-S100 PolarHBondContact O-N 3.14Å; S100-F103 PolarHBondContact O-N 2.9Å; S100-R104 VanDerWaalsContact O-CB 3.3Å; S100-R104 WeakPolarHBondContact O-CB 2.94Å; S100-R104 WeakPolarHBondContact O-CG 3.35Å; S100-R104 PolarHBondContact O-N 2.84Å
101	K	94.6	Very high	95.2	Very high	82 Å²	82	68.1 Å²	68.1	36%	0.357	34%	0.34	S	S	.	.	H	α-helix	trans	-65.8	-43	176.9	-77.6	-68.9	-171.5	176.3	0	112.5	I57 Y97 L98 Q99 A105	I57-K101 HydrophobicContact CD1-CD 4.17Å; Y97-K101 HydrophobicContact CD1-CG 4.47Å; Y97-K101 HydrophobicContact CE1-CG 4.02Å; Y97-K101 HydrophobicContact CE2-CG 4.38Å; Y97-K101 WeakPolarHBondContact O-CG 3.11Å; Y97-K101 PolarHBondContact O-N 2.9Å; Y97-K101 WeakPolarHBondContact OH-CE 3.33Å; L98-K101 PolarHBondContact O-N 3.23Å; L98-K101 VanDerWaalsContact O-N 3.16Å; Q99-K101 VanDerWaalsContact C-N 3.31Å; Q99-K101 PolarHBondContact O-N 2.73Å; K101-A105 WeakPolarHBondContact O-CB 3.41Å; K101-A105 PolarHBondContact O-N 3.47Å
102	V	97	Very high	95.2	Very high	9 Å²	9	63.9 Å²	63.9	6%	0.055	32%	0.315	C	S	.	.	H	α-helix	trans	-63.3	-44.1	175.8	173.7	0	0	0	0	111.1	I65 L66 Y81 L84 F85 L98 Q99 A105 K106	I65-V102 HydrophobicContact CG2-CG2 4.34Å; L66-V102 HydrophobicContact CD2-CG1 3.94Å; Y81-V102 HydrophobicContact CD2-CG1 3.73Å; Y81-V102 HydrophobicContact CE2-CG1 4.01Å; L84-V102 HydrophobicContact CB-CG1 3.91Å; L84-V102 HydrophobicContact CB-CG2 3.99Å; F85-V102 HydrophobicContact CB-CG1 4.09Å; F85-V102 HydrophobicContact CD2-CG1 4.41Å; L98-V102 WeakPolarHBondContact O-CG2 3.3Å; L98-V102 PolarHBondContact O-N 3.1Å; Q99-V102 PolarHBondContact O-N 2.94Å; V102-A105 PolarHBondContact O-N 2.79Å; V102-K106 PolarHBondContact O-N 3.3Å; V102-K106 VanDerWaalsContact O-N 3.13Å
103	F	96.5	Very high	95.2	Very high	83 Å²	83	59.6 Å²	59.6	36%	0.364	30%	0.298	S	S	.	.	H	α-helix	trans	-60.9	-50.5	176.1	-177.8	-98	0	0	0	112.5	F85 Q99 S100 A105 K106 E107	F85-F103 HydrophobicContact CE2-CB 4.18Å; Q99-F103 VanDerWaalsContact O-CB 3.31Å; Q99-F103 WeakPolarHBondContact O-CB 3.36Å; Q99-F103 PolarHBondContact O-N 3.08Å; S100-F103 PolarHBondContact O-N 2.9Å; F103-A105 VanDerWaalsContact C-N 3.26Å; F103-A105 PolarHBondContact O-N 2.5Å; F103-K106 WeakPolarHBondContact O-CB 3.19Å; F103-K106 PolarHBondContact O-N 2.74Å; F103-E107 HydrophobicContact CD1-CG 4.3Å; F103-E107 WeakPolarHBondContact CD1-OE2 3.47Å; F103-E107 HydrophobicContact CE1-CG 3.87Å; F103-E107 VanDerWaalsContact CE1-OE1 3.29Å; F103-E107 WeakPolarHBondContact CE1-OE1 3.21Å; F103-E107 WeakPolarHBondContact CE1-OE2 3.39Å; F103-E107 HydrophobicContact CZ-CG 4.11Å; F103-E107 PolarHBondContact O-N 3.05Å
104	R	95.5	Very high	95.2	Very high	135 Å²	135	62.6 Å²	62.6	51%	0.509	29%	0.292	S	S	.	.	H	α-helix	trans	-62.7	-33.4	179.1	-67.3	-77.7	168.9	-145.9	5.7	112.2	I57 S100 E107 R108	I57-R104 HydrophobicContact CD1-CB 3.41Å; I57-R104 VanDerWaalsContact CD1-CB 3.41Å; I57-R104 HydrophobicContact CG1-CB 4.24Å; S100-R104 VanDerWaalsContact O-CB 3.3Å; S100-R104 WeakPolarHBondContact O-CB 2.94Å; S100-R104 WeakPolarHBondContact O-CG 3.35Å; S100-R104 PolarHBondContact O-N 2.84Å; R104-E107 VanDerWaalsContact CD-OE2 3.27Å; R104-E107 WeakPolarHBondContact CD-OE2 3.08Å; R104-E107 IonicContact CZ-OE2 3.53Å; R104-E107 IonicContact NE-OE2 3.81Å; R104-E107 VanDerWaalsContact NH1-CD 3.31Å; R104-E107 IonicContact NH1-OE1 3.75Å; R104-E107 PolarHBondContact NH1-OE1 2.94Å; R104-E107 IonicContact NH1-OE2 3.05Å; R104-E107 PolarHBondContact NH1-OE2 2.68Å; R104-R108 PolarHBondContact O-N 3.1Å; R104-R108 VanDerWaalsContact O-N 3.08Å
105	A	96.5	Very high	94.9	Very high	0 Å²	0	67 Å²	67	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-65.1	-40.8	173.8	0	0	0	0	0	111.3	I57 A62 I65 L66 K101 V102 F103 R108 I109	I57-A105 HydrophobicContact CD1-CB 4.47Å; A62-A105 HydrophobicContact CB-CB 4.02Å; A62-A105 WeakPolarHBondContact CB-O 3.23Å; I65-A105 HydrophobicContact CB-CB 3.94Å; I65-A105 HydrophobicContact CD1-CB 4.12Å; I65-A105 HydrophobicContact CG2-CB 3.73Å; L66-A105 HydrophobicContact CD1-CB 4.03Å; L66-A105 HydrophobicContact CG-CB 4.02Å; K101-A105 WeakPolarHBondContact O-CB 3.41Å; K101-A105 PolarHBondContact O-N 3.47Å; V102-A105 PolarHBondContact O-N 2.79Å; F103-A105 VanDerWaalsContact C-N 3.26Å; F103-A105 PolarHBondContact O-N 2.5Å; A105-R108 PolarHBondContact O-N 2.93Å; A105-I109 PolarHBondContact O-N 3.38Å
106	K	97.4	Very high	94.7	Very high	23 Å²	23	67.5 Å²	67.5	10%	0.1	31%	0.305	C	S	.	.	H	α-helix	trans	-65.3	-46.4	177.4	-174.3	61.6	170.3	77.7	0	111.7	L66 L77 N78 Y81 V102 F103 R108 I109 D110	L66-K106 HydrophobicContact CD1-CB 4.12Å; L66-K106 HydrophobicContact CD1-CD 4.21Å; L77-K106 HydrophobicContact CD1-CD 4.05Å; L77-K106 HydrophobicContact CD2-CD 4.26Å; L77-K106 HydrophobicContact CG-CD 4.03Å; N78-K106 WeakPolarHBondContact OD1-CE 3.37Å; N78-K106 PolarHBondContact OD1-NZ 3.37Å; Y81-K106 HydrophobicContact CD2-CB 3.6Å; Y81-K106 HydrophobicContact CD2-CD 4.36Å; Y81-K106 HydrophobicContact CD2-CG 3.88Å; Y81-K106 HydrophobicContact CE2-CB 3.86Å; Y81-K106 HydrophobicContact CE2-CG 4.21Å; Y81-K106 HydrophobicContact CG-CB 4.29Å; Y81-K106 HydrophobicContact CG-CD 4.22Å; Y81-K106 HydrophobicContact CG-CG 4.09Å; V102-K106 PolarHBondContact O-N 3.3Å; V102-K106 VanDerWaalsContact O-N 3.13Å; F103-K106 WeakPolarHBondContact O-CB 3.19Å; F103-K106 PolarHBondContact O-N 2.74Å; K106-R108 VanDerWaalsContact C-N 3.3Å; K106-R108 PolarHBondContact O-N 3.31Å; K106-I109 PolarHBondContact O-N 3.39Å; K106-D110 IonicContact NZ-OD1 2.66Å; K106-D110 PolarHBondContact NZ-OD1 3.47Å; K106-D110 IonicContact NZ-OD2 3.43Å; K106-D110 PolarHBondContact NZ-OD2 2.97Å; K106-D110 PolarHBondContact O-N 3.45Å
107	E	96	Very high	94.5	Very high	59 Å²	59	65.9 Å²	65.9	28%	0.276	30%	0.299	S	S	.	.	H	α-helix	trans	-54.3	-47	174.3	-74.1	177.2	122.5	0	0	111.5	F103 R104 I109 D110 E111	F103-E107 HydrophobicContact CD1-CG 4.3Å; F103-E107 WeakPolarHBondContact CD1-OE2 3.47Å; F103-E107 HydrophobicContact CE1-CG 3.87Å; F103-E107 VanDerWaalsContact CE1-OE1 3.29Å; F103-E107 WeakPolarHBondContact CE1-OE1 3.21Å; F103-E107 WeakPolarHBondContact CE1-OE2 3.39Å; F103-E107 HydrophobicContact CZ-CG 4.11Å; F103-E107 PolarHBondContact O-N 3.05Å; R104-E107 VanDerWaalsContact CD-OE2 3.27Å; R104-E107 WeakPolarHBondContact CD-OE2 3.08Å; R104-E107 IonicContact CZ-OE2 3.53Å; R104-E107 IonicContact NE-OE2 3.81Å; R104-E107 VanDerWaalsContact NH1-CD 3.31Å; R104-E107 IonicContact NH1-OE1 3.75Å; R104-E107 PolarHBondContact NH1-OE1 2.94Å; R104-E107 IonicContact NH1-OE2 3.05Å; R104-E107 PolarHBondContact NH1-OE2 2.68Å; E107-I109 VanDerWaalsContact C-N 3.32Å; E107-I109 PolarHBondContact O-N 2.89Å; E107-D110 PolarHBondContact O-N 3.19Å; E107-D110 VanDerWaalsContact O-N 3.16Å; E107-E111 WeakPolarHBondContact O-CG 3.26Å; E107-E111 PolarHBondContact O-N 2.93Å
108	R	94.6	Very high	94.4	Very high	59 Å²	59	60.2 Å²	60.2	22%	0.223	28%	0.281	C	S	.	.	H	α-helix	trans	-60.2	-39.7	179.4	177.7	61.4	-173	84.8	-6	112.9	I57 A62 R104 A105 K106 E112	I57-R108 VanDerWaalsContact O-CD 3.26Å; I57-R108 WeakPolarHBondContact O-CD 3.38Å; I57-R108 VanDerWaalsContact O-CG 3.26Å; I57-R108 WeakPolarHBondContact O-CG 3.25Å; A62-R108 HydrophobicContact CB-CB 4.08Å; A62-R108 HydrophobicContact CB-CG 4.08Å; R104-R108 PolarHBondContact O-N 3.1Å; R104-R108 VanDerWaalsContact O-N 3.08Å; A105-R108 PolarHBondContact O-N 2.93Å; K106-R108 VanDerWaalsContact C-N 3.3Å; K106-R108 PolarHBondContact O-N 3.31Å; R108-E112 IonicContact CZ-OE2 3.63Å; R108-E112 VanDerWaalsContact CZ-OE2 3.28Å; R108-E112 IonicContact NH1-OE2 3.18Å; R108-E112 PolarHBondContact NH1-OE2 3.1Å; R108-E112 IonicContact NH2-OE2 2.77Å; R108-E112 PolarHBondContact NH2-OE2 3.08Å; R108-E112 PolarHBondContact O-N 3.13Å
109	I	96.3	Very high	94	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-70	-40.2	177.4	-68.8	178.9	0	0	0	110.6	L59 A62 K63 L66 V68 I71 L77 A105 K106 E107 E111 E112 L113	L59-I109 HydrophobicContact CD1-CG1 4.1Å; A62-I109 HydrophobicContact CB-CD1 4.24Å; A62-I109 HydrophobicContact CB-CG1 3.88Å; K63-I109 HydrophobicContact CG-CD1 4.37Å; L66-I109 HydrophobicContact CD1-CD1 3.79Å; V68-I109 HydrophobicContact CG2-CD1 3.87Å; I71-I109 HydrophobicContact CB-CG2 3.79Å; I71-I109 HydrophobicContact CG2-CD1 4.13Å; I71-I109 HydrophobicContact CG2-CG1 4.23Å; I71-I109 HydrophobicContact CG2-CG2 3.85Å; L77-I109 HydrophobicContact CD1-CD1 3.71Å; L77-I109 HydrophobicContact CD1-CG2 4.16Å; L77-I109 HydrophobicContact CD2-CG2 3.66Å; A105-I109 PolarHBondContact O-N 3.38Å; K106-I109 PolarHBondContact O-N 3.39Å; E107-I109 VanDerWaalsContact C-N 3.32Å; E107-I109 PolarHBondContact O-N 2.89Å; I109-E111 VanDerWaalsContact C-N 3.33Å; I109-E111 PolarHBondContact O-N 3.35Å; I109-E112 WeakPolarHBondContact O-CB 3.5Å; I109-E112 PolarHBondContact O-N 3.04Å; I109-E112 VanDerWaalsContact O-N 3.13Å; I109-L113 HydrophobicContact CG2-CD1 4.05Å; I109-L113 HydrophobicContact CG2-CG 4.38Å; I109-L113 WeakPolarHBondContact O-CG 3.48Å; I109-L113 PolarHBondContact O-N 3.16Å
110	D	95.2	Very high	93.7	Very high	65 Å²	65	66.1 Å²	66.1	35%	0.348	30%	0.301	S	S	.	.	H	α-helix	trans	-65.1	-38	178.6	-69.8	-20.1	0	0	0	112	K106 E107 E112 L113 Q114	K106-D110 IonicContact NZ-OD1 2.66Å; K106-D110 PolarHBondContact NZ-OD1 3.47Å; K106-D110 IonicContact NZ-OD2 3.43Å; K106-D110 PolarHBondContact NZ-OD2 2.97Å; K106-D110 PolarHBondContact O-N 3.45Å; E107-D110 PolarHBondContact O-N 3.19Å; E107-D110 VanDerWaalsContact O-N 3.16Å; D110-E112 VanDerWaalsContact C-N 3.33Å; D110-E112 PolarHBondContact O-N 3.18Å; D110-L113 PolarHBondContact O-N 2.85Å; D110-Q114 VanDerWaalsContact O-CB 3.3Å; D110-Q114 WeakPolarHBondContact O-CB 3.36Å; D110-Q114 PolarHBondContact O-N 3.15Å
111	E	92.5	Very high	93.5	Very high	111 Å²	111	71.2 Å²	71.2	52%	0.519	31%	0.314	S	S	.	.	H	α-helix	trans	-59	-42.3	170.5	-73.9	171.6	-177.4	0	0	111.9	E107 I109 Q114 F115	E107-E111 WeakPolarHBondContact O-CG 3.26Å; E107-E111 PolarHBondContact O-N 2.93Å; I109-E111 VanDerWaalsContact C-N 3.33Å; I109-E111 PolarHBondContact O-N 3.35Å; E111-Q114 PolarHBondContact O-N 3.46Å; E111-F115 WeakPolarHBondContact O-CB 3.25Å; E111-F115 PolarHBondContact O-N 3.32Å
112	E	93.1	Very high	93.2	Very high	41 Å²	41	72.4 Å²	72.4	19%	0.192	32%	0.317	C	S	.	.	H	α-helix	trans	-63	-49.9	176.9	-164.4	66.7	-148.3	0	0	111.3	L59 I71 R108 I109 D110 Q114 F115 E116	L59-E112 HydrophobicContact CD1-CB 3.99Å; L59-E112 HydrophobicContact CD1-CG 4.05Å; L59-E112 HydrophobicContact CD2-CG 3.77Å; I71-E112 HydrophobicContact CD1-CB 4.11Å; I71-E112 HydrophobicContact CD1-CG 3.75Å; R108-E112 IonicContact CZ-OE2 3.63Å; R108-E112 VanDerWaalsContact CZ-OE2 3.28Å; R108-E112 IonicContact NH1-OE2 3.18Å; R108-E112 PolarHBondContact NH1-OE2 3.1Å; R108-E112 IonicContact NH2-OE2 2.77Å; R108-E112 PolarHBondContact NH2-OE2 3.08Å; R108-E112 PolarHBondContact O-N 3.13Å; I109-E112 WeakPolarHBondContact O-CB 3.5Å; I109-E112 PolarHBondContact O-N 3.04Å; I109-E112 VanDerWaalsContact O-N 3.13Å; D110-E112 VanDerWaalsContact C-N 3.33Å; D110-E112 PolarHBondContact O-N 3.18Å; E112-Q114 VanDerWaalsContact C-N 3.28Å; E112-Q114 PolarHBondContact O-N 3.34Å; E112-F115 WeakPolarHBondContact O-CB 3.26Å; E112-F115 PolarHBondContact O-N 2.79Å; E112-F115 VanDerWaalsContact O-N 3.13Å; E112-E116 WeakPolarHBondContact O-CG 3.17Å; E112-E116 PolarHBondContact O-N 3.02Å
113	L	93.7	Very high	92.8	Very high	31 Å²	31	76.5 Å²	76.5	16%	0.162	34%	0.338	C	S	.	.	H	α-helix	trans	-61.5	-39	-180	-69.6	170.8	0	0	0	111.6	I71 H72 I74 L77 I109 D110 Q117	I71-L113 HydrophobicContact CB-CD2 4.46Å; I71-L113 HydrophobicContact CD1-CD2 4.03Å; I71-L113 HydrophobicContact CD1-CG 4.36Å; I71-L113 HydrophobicContact CG1-CD2 4.03Å; H72-L113 WeakPolarHBondContact ND1-CD2 3.44Å; I74-L113 HydrophobicContact CD1-CD1 3.54Å; L77-L113 HydrophobicContact CD2-CD1 4.35Å; I109-L113 HydrophobicContact CG2-CD1 4.05Å; I109-L113 HydrophobicContact CG2-CG 4.38Å; I109-L113 WeakPolarHBondContact O-CG 3.48Å; I109-L113 PolarHBondContact O-N 3.16Å; D110-L113 PolarHBondContact O-N 2.85Å; L113-Q117 WeakPolarHBondContact O-CB 3.5Å; L113-Q117 PolarHBondContact O-N 3.39Å
114	Q	91.8	Very high	92.4	Very high	136 Å²	136	76.4 Å²	76.4	64%	0.636	34%	0.344	S	S	*	.	H	α-helix	trans	-66.5	-43.3	175.3	-173.7	179.4	32.6	0	0	111.4	D110 E111 E112 Q117 S118	D110-Q114 VanDerWaalsContact O-CB 3.3Å; D110-Q114 WeakPolarHBondContact O-CB 3.36Å; D110-Q114 PolarHBondContact O-N 3.15Å; E111-Q114 PolarHBondContact O-N 3.46Å; E112-Q114 VanDerWaalsContact C-N 3.28Å; E112-Q114 PolarHBondContact O-N 3.34Å; Q114-Q117 PolarHBondContact O-N 2.59Å; Q114-S118 WeakPolarHBondContact O-CB 3.45Å; Q114-S118 PolarHBondContact O-N 3.04Å
115	F	89.3	Confident	91.8	Very high	111 Å²	111	76.3 Å²	76.3	49%	0.487	35%	0.35	S	S	.	.	H	α-helix	trans	-59.1	-49.8	176.9	178.5	-100.8	0	0	0	110.9	E111 E112 Q117 S118 E119	E111-F115 WeakPolarHBondContact O-CB 3.25Å; E111-F115 PolarHBondContact O-N 3.32Å; E112-F115 WeakPolarHBondContact O-CB 3.26Å; E112-F115 PolarHBondContact O-N 2.79Å; E112-F115 VanDerWaalsContact O-N 3.13Å; F115-Q117 VanDerWaalsContact C-N 3.33Å; F115-Q117 PolarHBondContact O-N 2.77Å; F115-S118 WeakPolarHBondContact O-CB 3.35Å; F115-S118 PolarHBondContact O-N 3.33Å; F115-S118 VanDerWaalsContact O-N 3.1Å; F115-S118 PolarHBondContact O-OG 2.96Å; F115-E119 HydrophobicContact CD1-CG 4.28Å; F115-E119 HydrophobicContact CE1-CG 3.79Å; F115-E119 HydrophobicContact CE2-CG 4.25Å; F115-E119 HydrophobicContact CZ-CG 3.78Å; F115-E119 PolarHBondContact O-N 3.36Å
116	E	90.9	Very high	90.9	Very high	49 Å²	49	79.4 Å²	79.4	23%	0.229	37%	0.372	C	S	.	.	H	α-helix	trans	-59.6	-41.5	176.6	-69	175.8	141.4	0	0	112.6	H72 E112 S118 E119 R120	H72-E116 IonicContact CE1-OE1 2.59Å; H72-E116 IonicContact CE1-OE2 2.84Å; H72-E116 PolarHBondContact CE1-OE2 3.13Å; H72-E116 IonicContact ND1-OE2 3.06Å; E112-E116 WeakPolarHBondContact O-CG 3.17Å; E112-E116 PolarHBondContact O-N 3.02Å; E116-S118 VanDerWaalsContact C-N 3.31Å; E116-S118 PolarHBondContact O-N 3.06Å; E116-E119 PolarHBondContact O-N 3.43Å; E116-R120 WeakPolarHBondContact O-CB 3.45Å; E116-R120 VanDerWaalsContact O-CG 3.25Å; E116-R120 WeakPolarHBondContact O-CG 3.46Å; E116-R120 PolarHBondContact O-N 3.37Å
117	Q	91.7	Very high	90	Very high	102 Å²	102	85.7 Å²	85.7	48%	0.477	40%	0.399	S	S	.	.	H	α-helix	trans	-62.9	-41.1	176.4	-169.8	-179.6	34.1	0	0	111.2	L113 Q114 F115 R120 R121	L113-Q117 WeakPolarHBondContact O-CB 3.5Å; L113-Q117 PolarHBondContact O-N 3.39Å; Q114-Q117 PolarHBondContact O-N 2.59Å; F115-Q117 VanDerWaalsContact C-N 3.33Å; F115-Q117 PolarHBondContact O-N 2.77Å; Q117-R120 PolarHBondContact O-N 3.14Å; Q117-R121 WeakPolarHBondContact O-CG 3.47Å; Q117-R121 PolarHBondContact O-N 3.5Å; Q117-R121 VanDerWaalsContact O-N 3.1Å
118	S	91.5	Very high	89.1	Confident	31 Å²	31	87.5 Å²	87.5	22%	0.217	41%	0.41	C	S	.	.	H	α-helix	trans	-65.9	-40.5	178.1	79.5	0	0	0	0	112.2	Q114 F115 E116 R121 R122	Q114-S118 WeakPolarHBondContact O-CB 3.45Å; Q114-S118 PolarHBondContact O-N 3.04Å; F115-S118 WeakPolarHBondContact O-CB 3.35Å; F115-S118 PolarHBondContact O-N 3.33Å; F115-S118 VanDerWaalsContact O-N 3.1Å; F115-S118 PolarHBondContact O-OG 2.96Å; E116-S118 VanDerWaalsContact C-N 3.31Å; E116-S118 PolarHBondContact O-N 3.06Å; S118-R121 PolarHBondContact O-N 3.37Å; S118-R122 WeakPolarHBondContact O-CG 3.32Å; S118-R122 PolarHBondContact O-N 3.39Å; S118-R122 PolarHBondContact OG-NH1 2.89Å; S118-R122 PolarHBondContact OG-NH2 3.41Å
119	E	88.2	Confident	88.1	Confident	71 Å²	71	88.3 Å²	88.3	33%	0.332	43%	0.425	S	S	.	.	H	α-helix	trans	-64.2	-43.1	175.5	-76.3	-71.2	97.1	0	0	111.8	F115 E116 R121 R122 N123	F115-E119 HydrophobicContact CD1-CG 4.28Å; F115-E119 HydrophobicContact CE1-CG 3.79Å; F115-E119 HydrophobicContact CE2-CG 4.25Å; F115-E119 HydrophobicContact CZ-CG 3.78Å; F115-E119 PolarHBondContact O-N 3.36Å; E116-E119 PolarHBondContact O-N 3.43Å; E119-R121 VanDerWaalsContact C-N 3.34Å; E119-R121 PolarHBondContact O-N 3.5Å; E119-R122 PolarHBondContact O-N 2.99Å; E119-R122 IonicContact OE1-CZ 2.79Å; E119-R122 IonicContact OE1-NE 3.3Å; E119-R122 PolarHBondContact OE1-NE 3.29Å; E119-R122 IonicContact OE1-NH2 3.9Å; E119-R122 PolarHBondContact OE1-NH2 3.38Å; E119-N123 WeakPolarHBondContact O-CB 3.33Å; E119-N123 VanDerWaalsContact O-CG 3.28Å; E119-N123 PolarHBondContact O-N 3.4Å; E119-N123 PolarHBondContact O-ND2 3.33Å
120	R	90.9	Very high	86.4	Confident	156 Å²	156	95.4 Å²	95.4	59%	0.589	46%	0.458	S	S	*	.	H	α-helix	trans	-61.8	-40.6	176.4	-71.3	173.5	-170.2	-163.8	7.1	112.2	E116 Q117 T124	E116-R120 WeakPolarHBondContact O-CB 3.45Å; E116-R120 VanDerWaalsContact O-CG 3.25Å; E116-R120 WeakPolarHBondContact O-CG 3.46Å; E116-R120 PolarHBondContact O-N 3.37Å; Q117-R120 PolarHBondContact O-N 3.14Å; R120-T124 PolarHBondContact O-N 2.97Å; R120-T124 VanDerWaalsContact O-N 3.13Å; R120-T124 PolarHBondContact O-OG1 3.32Å
121	R	90.7	Very high	84.7	Confident	141 Å²	141	99.7 Å²	99.7	53%	0.532	48%	0.476	S	S	.	.	H	α-helix	trans	-64.3	-49.3	176.1	-71.1	177.2	-168.2	170.9	5.9	111.2	Q117 S118 E119 N123 T124 E125	Q117-R121 WeakPolarHBondContact O-CG 3.47Å; Q117-R121 PolarHBondContact O-N 3.5Å; Q117-R121 VanDerWaalsContact O-N 3.1Å; S118-R121 PolarHBondContact O-N 3.37Å; E119-R121 VanDerWaalsContact C-N 3.34Å; E119-R121 PolarHBondContact O-N 3.5Å; R121-N123 VanDerWaalsContact C-N 3.31Å; R121-N123 PolarHBondContact O-N 3.15Å; R121-T124 PolarHBondContact O-N 2.85Å; R121-E125 PolarHBondContact O-N 3.1Å
122	R	88.4	Confident	83.1	Confident	107 Å²	107	99.6 Å²	99.6	40%	0.404	49%	0.488	S	S	.	.	H	α-helix	trans	-53.4	-47.6	175.6	-76.8	-170.2	-78.5	-84.3	5	111.9	S118 E119 T124 E125 S126	S118-R122 WeakPolarHBondContact O-CG 3.32Å; S118-R122 PolarHBondContact O-N 3.39Å; S118-R122 PolarHBondContact OG-NH1 2.89Å; S118-R122 PolarHBondContact OG-NH2 3.41Å; E119-R122 PolarHBondContact O-N 2.99Å; E119-R122 IonicContact OE1-CZ 2.79Å; E119-R122 IonicContact OE1-NE 3.3Å; E119-R122 PolarHBondContact OE1-NE 3.29Å; E119-R122 IonicContact OE1-NH2 3.9Å; E119-R122 PolarHBondContact OE1-NH2 3.38Å; R122-T124 VanDerWaalsContact C-N 3.29Å; R122-T124 PolarHBondContact O-N 3.2Å; R122-E125 PolarHBondContact O-N 3.5Å; R122-S126 PolarHBondContact O-N 3.43Å; R122-S126 PolarHBondContact O-OG 3.01Å
123	N	88.2	Confident	81.4	Confident	96 Å²	96	100.9 Å²	100.9	51%	0.513	51%	0.511	S	S	.	.	H	α-helix	trans	-66.1	-28.7	-179.9	-71.3	-17	0	0	0	113.7	E119 R121 K127	E119-N123 WeakPolarHBondContact O-CB 3.33Å; E119-N123 VanDerWaalsContact O-CG 3.28Å; E119-N123 PolarHBondContact O-N 3.4Å; E119-N123 PolarHBondContact O-ND2 3.33Å; R121-N123 VanDerWaalsContact C-N 3.31Å; R121-N123 PolarHBondContact O-N 3.15Å; N123-K127 WeakPolarHBondContact O-CG 3.43Å; N123-K127 PolarHBondContact O-N 3.21Å
124	T	88	Confident	79.4	Confident	80 Å²	80	108.2 Å²	108.2	49%	0.491	56%	0.558	S	S	.	*	H	α-helix	trans	-75.8	-42.3	177.2	-52.9	0	0	0	0	110.9	R120 R121 R122 K127 N128	R120-T124 PolarHBondContact O-N 2.97Å; R120-T124 VanDerWaalsContact O-N 3.13Å; R120-T124 PolarHBondContact O-OG1 3.32Å; R121-T124 PolarHBondContact O-N 2.85Å; R122-T124 VanDerWaalsContact C-N 3.29Å; R122-T124 PolarHBondContact O-N 3.2Å; T124-K127 PolarHBondContact O-N 3.13Å; T124-N128 PolarHBondContact O-N 3.05Å; T124-N128 VanDerWaalsContact O-N 3.15Å
125	E	81.9	Confident	78.7	Confident	134 Å²	134	106.9 Å²	106.9	63%	0.626	55%	0.554	S	S	*	*	H	α-helix	trans	-63.1	-43.4	177	-70.4	169.8	-171.8	0	0	111.9	R121 R122 K127 N128 S129	R121-E125 PolarHBondContact O-N 3.1Å; R122-E125 PolarHBondContact O-N 3.5Å; E125-K127 VanDerWaalsContact C-N 3.3Å; E125-K127 PolarHBondContact O-N 3.46Å; E125-N128 PolarHBondContact O-N 3.39Å; E125-S129 PolarHBondContact O-N 3.45Å; E125-S129 VanDerWaalsContact O-N 3.13Å; E125-S129 PolarHBondContact O-OG 3.31Å
126	S	79.4	Confident	78.2	Confident	65 Å²	65	106.6 Å²	106.6	46%	0.455	56%	0.558	S	S	.	*	H	α-helix	trans	-64.9	-29.8	176.8	-60	0	0	0	0	113.6	R122 S129 H130	R122-S126 PolarHBondContact O-N 3.43Å; R122-S126 PolarHBondContact O-OG 3.01Å; S126-S129 PolarHBondContact O-OG 3.49Å; S126-S129 VanDerWaalsContact O-OG 3.07Å; S126-H130 PolarHBondContact O-ND1 3.34Å
127	K	78.4	Confident	77.5	Confident	155 Å²	155	109.8 Å²	109.8	67%	0.674	58%	0.576	S	S	*	*	H	α-helix	trans	-72.8	-42.4	175	-79.9	178.8	179	-179.5	0	111.8	N123 T124 E125 S129 H130 Q131	N123-K127 WeakPolarHBondContact O-CG 3.43Å; N123-K127 PolarHBondContact O-N 3.21Å; T124-K127 PolarHBondContact O-N 3.13Å; E125-K127 VanDerWaalsContact C-N 3.3Å; E125-K127 PolarHBondContact O-N 3.46Å; K127-S129 VanDerWaalsContact C-N 3.34Å; K127-S129 PolarHBondContact O-N 2.93Å; K127-H130 PolarHBondContact O-N 3.25Å; K127-Q131 PolarHBondContact O-N 3.07Å
128	N	77	Confident	76.6	Confident	96 Å²	96	110.3 Å²	110.3	51%	0.513	58%	0.582	S	S	.	*	H	α-helix	trans	-67.3	-34.6	-179.4	-70.8	2.4	0	0	0	112.3	T124 E125 Q131 S132	T124-N128 PolarHBondContact O-N 3.05Å; T124-N128 VanDerWaalsContact O-N 3.15Å; E125-N128 PolarHBondContact O-N 3.39Å; N128-Q131 PolarHBondContact O-N 3.22Å; N128-S132 PolarHBondContact O-N 3.42Å; N128-S132 PolarHBondContact O-OG 3.33Å
129	S	72.3	Confident	75.7	Confident	76 Å²	76	115.3 Å²	115.3	53%	0.531	61%	0.605	S	S	.	*	H	α-helix	trans	-68.8	-33.5	176.6	61.6	0	0	0	0	113.4	E125 S126 K127	E125-S129 PolarHBondContact O-N 3.45Å; E125-S129 VanDerWaalsContact O-N 3.13Å; E125-S129 PolarHBondContact O-OG 3.31Å; S126-S129 PolarHBondContact O-OG 3.49Å; S126-S129 VanDerWaalsContact O-OG 3.07Å; K127-S129 VanDerWaalsContact C-N 3.34Å; K127-S129 PolarHBondContact O-N 2.93Å
130	H	61.1	Low	74.9	Confident	150 Å²	150	118.2 Å²	118.2	69%	0.694	62%	0.623	S	S	*	*	H	α-helix	trans	-72.1	-29.7	175.2	-79.1	78.2	0	0	0	112.7	S126 K127	S126-H130 PolarHBondContact O-ND1 3.34Å; K127-H130 PolarHBondContact O-N 3.25Å
131	Q	59.1	Low	73.7	Confident	154 Å²	154	115.5 Å²	115.5	72%	0.72	63%	0.625	S	S	*	*	H	α-helix	trans	-82.6	-26.5	-177.7	-150.4	163.5	7.8	0	0	113.1	K127 N128 G133	K127-Q131 PolarHBondContact O-N 3.07Å; N128-Q131 PolarHBondContact O-N 3.22Å; Q131-G133 VanDerWaalsContact C-N 3.28Å; Q131-G133 PolarHBondContact O-N 2.84Å
132	S	59.3	Low	72.4	Confident	110 Å²	110	113.5 Å²	113.5	77%	0.769	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.2	-3.3	173.7	-64.6	0	0	0	0	114.2	N128	N128-S132 PolarHBondContact O-N 3.42Å; N128-S132 PolarHBondContact O-OG 3.33Å
133	G	57.2	Low	71.1	Confident	67 Å²	67	114.1 Å²	114.1	69%	0.691	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.5	7	-179.7	0	0	0	0	0	115.3	Q131	Q131-G133 VanDerWaalsContact C-N 3.28Å; Q131-G133 PolarHBondContact O-N 2.84Å
134	T	51.4	Low	69.6	Low	186 Å²	186	115.7 Å²	115.7	100%	1.141	66%	0.664	S	S	*	*			trans	-123	0	179.8	-31.9	0	0	0	0	111.5

Retrieved 134 of 134 residues in 94.2 ms (Link to these results)

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