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Retinaldehyde-binding protein 1

Soluble retinoid carrier essential the proper function of both rod and cone photoreceptors. Participates in the regeneration of active 11-cis-retinol and 11-cis-retinaldehyde, from the inactive 11-trans products of the rhodopsin photocycle and in the de novo synthesis of these retinoids from 11-trans metabolic precursors. The cycling of retinoids between photoreceptor and adjacent pigment epithelium cells is known as the 'visual cycle'.

AlphaFold DB , UniProt , Accession A0A096NN66, Species PAPAN (Papio anubis, Olive baboon), Gene RLBP1, Length 317 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	39.9	Very low	42.4	Very low	248 Å²	248	142 Å²	142	100%	1.222	79%	0.785	S	S	*	*				0	108.7	0	-68.3	-164.6	-79.7	0	0	107.6
2	S	34.9	Very low	45	Very low	120 Å²	120	135.8 Å²	135.8	84%	0.839	76%	0.756	S	S	*	*			trans	-142.6	97.9	168	59.9	0	0	0	0	107.4	G4	S2-G4 PolarHBondContact O-N 3.44Å
3	E	39.3	Very low	46.6	Very low	192 Å²	192	137.4 Å²	137.4	90%	0.897	75%	0.754	S	S	*	*			trans	-71.3	118.5	173.6	-70.5	178.1	152.6	0	0	108.7	V5	E3-V5 PolarHBondContact O-N 3.21Å
4	G	37.9	Very low	47.7	Very low	78 Å²	78	139.1 Å²	139.1	80%	0.804	75%	0.754	S	S	*	*			trans	-74.6	106.6	171.1	0	0	0	0	0	109.1	S2 G6	S2-G4 PolarHBondContact O-N 3.44Å; G4-G6 PolarHBondContact O-N 2.89Å
5	V	42.2	Very low	48.5	Very low	136 Å²	136	131.9 Å²	131.9	82%	0.824	71%	0.714	S	S	*	*			trans	-64.1	111.9	171.6	-179.9	0	0	0	0	108	E3 T7	E3-V5 PolarHBondContact O-N 3.21Å; V5-T7 PolarHBondContact O-N 3.02Å
6	G	38.5	Very low	49.2	Very low	54 Å²	54	130.3 Å²	130.3	56%	0.557	70%	0.7	S	S	*	*			trans	-60.6	125.9	174.7	0	0	0	0	0	110.5	G4 F8	G4-G6 PolarHBondContact O-N 2.89Å; G6-F8 PolarHBondContact O-N 3.28Å
7	T	39.8	Very low	50	Low	140 Å²	140	130.2 Å²	130.2	86%	0.859	70%	0.695	S	S	*	*			trans	-69.3	110.2	173	44.6	0	0	0	0	109.4	V5 R9	V5-T7 PolarHBondContact O-N 3.02Å; T7-R9 PolarHBondContact O-N 3.25Å
8	F	40.6	Very low	50.7	Low	200 Å²	200	125.6 Å²	125.6	88%	0.877	67%	0.669	S	S	*	*			trans	-69.7	109.9	169.4	-75.2	-91.8	0	0	0	108.9	G6 M10	G6-F8 PolarHBondContact O-N 3.28Å; F8-M10 PolarHBondContact O-N 3.43Å
9	R	56.5	Low	51.2	Low	192 Å²	192	125.2 Å²	125.2	73%	0.725	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-75.1	118.4	168.1	178.1	178.3	169.4	-165.7	-10.6	108	T7 V11 E15	T7-R9 PolarHBondContact O-N 3.25Å; R9-V11 PolarHBondContact O-N 3.17Å; R9-E15 IonicContact NH2-OE2 2.67Å
10	M	43.8	Very low	51.7	Low	166 Å²	166	121.5 Å²	121.5	82%	0.818	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-62.8	117.3	167.4	-70	-66.5	-70.5	0	0	108.3	F8 P12	F8-M10 PolarHBondContact O-N 3.43Å; M10-P12 WeakPolarHBondContact O-CD 3.47Å
11	V	53.1	Low	52.3	Low	36 Å²	36	121.4 Å²	121.4	22%	0.218	64%	0.642	C	S	.	*	P	Polyproline II helix	trans	-76.2	119.2	175	179.5	0	0	0	0	107	R9 E15 Q16	R9-V11 PolarHBondContact O-N 3.17Å; V11-E15 HydrophobicContact CG1-CB 3.61Å; V11-E15 HydrophobicContact CG1-CG 3.6Å; V11-Q16 HydrophobicContact CB-CG 4.09Å; V11-Q16 HydrophobicContact CG1-CG 3.73Å; V11-Q16 PolarHBondContact O-NE2 3.1Å
12	P	74	Confident	53.4	Low	67 Å²	67	112.1 Å²	112.1	44%	0.435	60%	0.597	S	S	.	*	P	Polyproline II helix	trans	-52.7	148.2	178.5	-25	34	0	0	0	112	M10 E14 E15 Q16	M10-P12 WeakPolarHBondContact O-CD 3.47Å; P12-E14 PolarHBondContact O-N 3.35Å; P12-E15 HydrophobicContact CB-CB 4.41Å; P12-E15 WeakPolarHBondContact CD-OE2 3.43Å; P12-E15 WeakPolarHBondContact O-CA 3.41Å; P12-E15 WeakPolarHBondContact O-CB 3.42Å; P12-E15 PolarHBondContact O-N 3.2Å; P12-Q16 PolarHBondContact O-N 3.24Å
13	E	65.1	Low	54.9	Low	157 Å²	157	114.8 Å²	114.8	73%	0.734	60%	0.596	S	S	*	*	H	α-helix	trans	-55.1	-40.4	179.8	-76.5	179.2	157.8	0	0	112.1	E15 Q16 E17	E13-E15 VanDerWaalsContact C-N 3.26Å; E13-E15 PolarHBondContact O-N 2.93Å; E13-Q16 PolarHBondContact O-N 2.84Å; E13-E17 WeakPolarHBondContact O-CG 3.43Å; E13-E17 PolarHBondContact O-N 2.69Å
14	E	62	Low	56.8	Low	161 Å²	161	113.1 Å²	113.1	75%	0.752	59%	0.588	S	S	*	*	H	α-helix	trans	-58.9	-36	173.9	-66	-178.8	172.5	0	0	112.8	P12 L18	P12-E14 PolarHBondContact O-N 3.35Å; E14-L18 WeakPolarHBondContact O-CB 3.2Å; E14-L18 PolarHBondContact O-N 3.04Å
15	E	60.6	Low	59.2	Low	32 Å²	32	111.1 Å²	111.1	15%	0.15	56%	0.559	C	S	.	*	H	α-helix	trans	-76.4	-29.5	177.5	-170.4	-176	152.3	0	0	111.2	R9 V11 P12 E13 R19	R9-E15 IonicContact NH2-OE2 2.67Å; V11-E15 HydrophobicContact CG1-CB 3.61Å; V11-E15 HydrophobicContact CG1-CG 3.6Å; P12-E15 HydrophobicContact CB-CB 4.41Å; P12-E15 WeakPolarHBondContact CD-OE2 3.43Å; P12-E15 WeakPolarHBondContact O-CA 3.41Å; P12-E15 WeakPolarHBondContact O-CB 3.42Å; P12-E15 PolarHBondContact O-N 3.2Å; E13-E15 VanDerWaalsContact C-N 3.26Å; E13-E15 PolarHBondContact O-N 2.93Å; E15-R19 WeakPolarHBondContact O-CB 3.47Å; E15-R19 WeakPolarHBondContact O-CD 3.15Å; E15-R19 WeakPolarHBondContact O-CG 3.41Å; E15-R19 PolarHBondContact O-N 2.96Å; E15-R19 VanDerWaalsContact O-N 3.1Å; E15-R19 IonicContact OE1-CZ 3.62Å; E15-R19 IonicContact OE1-NE 3.96Å; E15-R19 IonicContact OE1-NH2 2.64Å; E15-R19 PolarHBondContact OE1-NH2 3.25Å
16	Q	59.4	Low	61.5	Low	106 Å²	106	107.8 Å²	107.8	50%	0.495	54%	0.539	S	S	.	.	H	α-helix	trans	-73.4	-43.5	173.3	-63.8	-177	16.3	0	0	112	V11 P12 E13 L18 R19 A20	V11-Q16 HydrophobicContact CB-CG 4.09Å; V11-Q16 HydrophobicContact CG1-CG 3.73Å; V11-Q16 PolarHBondContact O-NE2 3.1Å; P12-Q16 PolarHBondContact O-N 3.24Å; E13-Q16 PolarHBondContact O-N 2.84Å; Q16-L18 VanDerWaalsContact C-N 3.34Å; Q16-R19 PolarHBondContact O-N 3.29Å; Q16-A20 PolarHBondContact O-N 3.07Å
17	E	62.2	Low	64	Low	129 Å²	129	106.3 Å²	106.3	60%	0.603	52%	0.519	S	S	*	.	H	α-helix	trans	-62.4	-42	175	-73.5	-177.1	168.3	0	0	111.3	E13 R19 A20 Q21	E13-E17 WeakPolarHBondContact O-CG 3.43Å; E13-E17 PolarHBondContact O-N 2.69Å; E17-R19 VanDerWaalsContact C-N 3.34Å; E17-R19 PolarHBondContact O-N 3.2Å; E17-A20 PolarHBondContact O-N 2.71Å; E17-Q21 WeakPolarHBondContact O-CG 3.25Å; E17-Q21 PolarHBondContact O-N 2.67Å
18	L	62.4	Low	66.4	Low	46 Å²	46	108.5 Å²	108.5	24%	0.241	52%	0.517	C	S	.	.	H	α-helix	trans	-65.8	-36.1	176.2	-165.4	67	0	0	0	111.9	E14 Q16 Q21 L22 Q46	E14-L18 WeakPolarHBondContact O-CB 3.2Å; E14-L18 PolarHBondContact O-N 3.04Å; Q16-L18 VanDerWaalsContact C-N 3.34Å; L18-Q21 PolarHBondContact O-N 3.32Å; L18-L22 VanDerWaalsContact O-CG 3.25Å; L18-L22 WeakPolarHBondContact O-CG 3.43Å; L18-L22 PolarHBondContact O-N 2.97Å; L18-Q46 HydrophobicContact CD2-CB 3.92Å; L18-Q46 HydrophobicContact CD2-CG 3.55Å; L18-Q46 HydrophobicContact CG-CG 4.48Å
19	R	60.9	Low	69	Low	119 Å²	119	102.4 Å²	102.4	45%	0.449	49%	0.493	S	S	.	.	H	α-helix	trans	-66.9	-40.4	173.4	-76.2	169.9	-174.3	-150	6.1	112.8	E15 Q16 E17 Q21 L22 E23	E15-R19 WeakPolarHBondContact O-CB 3.47Å; E15-R19 WeakPolarHBondContact O-CD 3.15Å; E15-R19 WeakPolarHBondContact O-CG 3.41Å; E15-R19 PolarHBondContact O-N 2.96Å; E15-R19 VanDerWaalsContact O-N 3.1Å; E15-R19 IonicContact OE1-CZ 3.62Å; E15-R19 IonicContact OE1-NE 3.96Å; E15-R19 IonicContact OE1-NH2 2.64Å; E15-R19 PolarHBondContact OE1-NH2 3.25Å; Q16-R19 PolarHBondContact O-N 3.29Å; E17-R19 VanDerWaalsContact C-N 3.34Å; E17-R19 PolarHBondContact O-N 3.2Å; R19-Q21 VanDerWaalsContact C-N 3.32Å; R19-L22 WeakPolarHBondContact O-CB 3.36Å; R19-L22 PolarHBondContact O-N 3.25Å; R19-E23 PolarHBondContact O-N 3.45Å
20	A	61.6	Low	70.8	Confident	51 Å²	51	94.2 Å²	94.2	42%	0.421	46%	0.463	S	S	.	.	H	α-helix	trans	-66.2	-35.3	173.9	0	0	0	0	0	111.9	Q16 E17 E23	Q16-A20 PolarHBondContact O-N 3.07Å; E17-A20 PolarHBondContact O-N 2.71Å; A20-E23 PolarHBondContact O-N 2.84Å
21	Q	62.6	Low	73.3	Confident	120 Å²	120	87.3 Å²	87.3	56%	0.561	44%	0.435	S	S	*	.	H	α-helix	trans	-67.2	-35.4	172.2	-75.2	177.2	-3.5	0	0	112.6	E17 L18 R19 E23 Q24 L25	E17-Q21 WeakPolarHBondContact O-CG 3.25Å; E17-Q21 PolarHBondContact O-N 2.67Å; L18-Q21 PolarHBondContact O-N 3.32Å; R19-Q21 VanDerWaalsContact C-N 3.32Å; Q21-E23 PolarHBondContact O-N 3.38Å; Q21-Q24 PolarHBondContact O-N 3.26Å; Q21-Q24 VanDerWaalsContact O-N 3.07Å; Q21-L25 PolarHBondContact O-N 3.39Å
22	L	63.6	Low	75.4	Confident	53 Å²	53	90 Å²	90	28%	0.277	45%	0.453	S	S	.	.	H	α-helix	trans	-62.4	-28	175.7	-76.6	168	0	0	0	112.9	L18 R19 Q24 L25 H43	L18-L22 VanDerWaalsContact O-CG 3.25Å; L18-L22 WeakPolarHBondContact O-CG 3.43Å; L18-L22 PolarHBondContact O-N 2.97Å; R19-L22 WeakPolarHBondContact O-CB 3.36Å; R19-L22 PolarHBondContact O-N 3.25Å; L22-Q24 VanDerWaalsContact C-N 3.3Å; L22-L25 HydrophobicContact CD2-CD1 3.87Å; L22-H43 HydrophobicContact CD2-CB 3.7Å
23	E	66.7	Low	76.4	Confident	176 Å²	176	87 Å²	87	82%	0.822	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-13.9	175.1	-69	-177.4	170.3	0	0	113.4	R19 A20 Q21	R19-E23 PolarHBondContact O-N 3.45Å; A20-E23 PolarHBondContact O-N 2.84Å; Q21-E23 PolarHBondContact O-N 3.38Å
24	Q	79.3	Confident	77.9	Confident	157 Å²	157	80.9 Å²	80.9	73%	0.734	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.4	13.4	-177.5	-63.1	-175.6	4	0	0	113.7	Q21 L22	Q21-Q24 PolarHBondContact O-N 3.26Å; Q21-Q24 VanDerWaalsContact O-N 3.07Å; L22-Q24 VanDerWaalsContact C-N 3.3Å
25	L	88.4	Confident	79.1	Confident	35 Å²	35	75.4 Å²	75.4	18%	0.183	39%	0.391	C	S	.	.			trans	-63.3	140.2	178.4	-70	175.8	0	0	0	111.8	Q21 L22 D29 H43	Q21-L25 PolarHBondContact O-N 3.39Å; L22-L25 HydrophobicContact CD2-CD1 3.87Å; L25-D29 HydrophobicContact CD2-CB 3.84Å; L25-H43 HydrophobicContact CD1-CB 4.44Å; L25-H43 HydrophobicContact CD2-CB 4.4Å
26	T	91	Very high	80.3	Confident	66 Å²	66	78.7 Å²	78.7	41%	0.405	42%	0.415	S	S	.	.			trans	-111	167.8	175.6	72.5	0	0	0	0	110.4	K28 D29 H30	T26-K28 PolarHBondContact O-N 3.38Å; T26-K28 VanDerWaalsContact O-N 3.11Å; T26-K28 PolarHBondContact OG1-N 2.93Å; T26-D29 WeakPolarHBondContact CA-OD2 3.41Å; T26-D29 WeakPolarHBondContact CB-OD2 3.35Å; T26-D29 PolarHBondContact N-OD2 3.45Å; T26-D29 PolarHBondContact O-N 2.93Å; T26-D29 PolarHBondContact OG1-OD2 2.91Å; T26-H30 PolarHBondContact O-CE1 2.94Å; T26-H30 PolarHBondContact O-ND1 3.47Å
27	T	89.6	Confident	81.8	Confident	23 Å²	23	75.2 Å²	75.2	14%	0.141	40%	0.402	C	S	.	.	G	3₁₀ helix	trans	-57	-26.9	175.6	55.2	0	0	0	0	112.7	D281 I284	T27-D281 HydrophobicContact CG2-CB 4.11Å; T27-I284 HydrophobicContact CG2-CD1 4.06Å; T27-I284 HydrophobicContact CG2-CG2 3.91Å
28	K	92.1	Very high	82.9	Confident	187 Å²	187	75.3 Å²	75.3	81%	0.813	42%	0.417	S	S	*	.	G	3₁₀ helix	trans	-82.6	-12.4	-177.1	-62.7	-178.6	-177.9	174.4	0	114.7	T26 H30	T26-K28 PolarHBondContact O-N 3.38Å; T26-K28 VanDerWaalsContact O-N 3.11Å; T26-K28 PolarHBondContact OG1-N 2.93Å; K28-H30 PolarHBondContact O-N 2.92Å
29	D	94	Very high	84.2	Confident	72 Å²	72	81.1 Å²	81.1	39%	0.385	44%	0.443	S	S	.	.	G	3₁₀ helix	trans	-79.4	0	-178.9	-63.3	-55.7	0	0	0	113.3	L25 T26 H43	L25-D29 HydrophobicContact CD2-CB 3.84Å; T26-D29 WeakPolarHBondContact CA-OD2 3.41Å; T26-D29 WeakPolarHBondContact CB-OD2 3.35Å; T26-D29 PolarHBondContact N-OD2 3.45Å; T26-D29 PolarHBondContact O-N 2.93Å; T26-D29 PolarHBondContact OG1-OD2 2.91Å; D29-H43 PolarHBondContact O-NE2 3.3Å
30	H	95.5	Very high	85.7	Confident	20 Å²	20	76.8 Å²	76.8	9%	0.093	43%	0.428	C	S	.	.	S	Bend	trans	-113.5	152	-174.2	-52.3	88.9	0	0	0	110.9	T26 K28 H43 R151 K153 G155 E192	T26-H30 PolarHBondContact O-CE1 2.94Å; T26-H30 PolarHBondContact O-ND1 3.47Å; K28-H30 PolarHBondContact O-N 2.92Å; H30-H43 AromaticContact CD2-CE1 3.43Å; H30-H43 PolarHBondContact CD2-CE1 3.33Å; H30-H43 VanDerWaalsContact CD2-CE1 3.43Å; H30-H43 AromaticContact NE2-CE1 3.49Å; H30-H43 PolarHBondContact NE2-CE1 3.21Å; H30-R151 HydrophobicContact CB-CB 4.22Å; H30-R151 HydrophobicContact CB-CG 4.48Å; H30-K153 PolarHBondContact CE1-O 3.24Å; H30-G155 WeakPolarHBondContact CD2-CA 3.39Å; H30-G155 PolarHBondContact CD2-N 3.09Å; H30-G155 PolarHBondContact CE1-N 3.43Å; H30-G155 VanDerWaalsContact CG-CA 3.43Å; H30-G155 WeakPolarHBondContact NE2-CA 3.25Å; H30-G155 PolarHBondContact NE2-N 3.1Å; H30-G155 VanDerWaalsContact NE2-N 3.13Å; H30-E192 WeakPolarHBondContact CA-OE1 3.41Å; H30-E192 WeakPolarHBondContact CB-OE1 3.35Å; H30-E192 IonicContact CD2-OE1 2.6Å; H30-E192 IonicContact CG-OE1 3.82Å
31	G	95.5	Very high	87.2	Confident	21 Å²	21	75.6 Å²	75.6	22%	0.216	42%	0.417	C	S	.	.			trans	-69.6	173.4	178.3	0	0	0	0	0	113.6	R151 E192	G31-R151 VanDerWaalsContact O-CD 3.23Å; G31-R151 WeakPolarHBondContact O-CD 3.49Å; G31-R151 PolarHBondContact O-NE 2.87Å; G31-E192 VanDerWaalsContact CA-OE2 3.29Å; G31-E192 WeakPolarHBondContact CA-OE2 3.44Å; G31-E192 PolarHBondContact N-OE1 3.02Å; G31-E192 PolarHBondContact N-OE2 2.79Å
32	P	96.2	Very high	88.5	Confident	93 Å²	93	80.6 Å²	80.6	60%	0.604	43%	0.43	S	S	*	.			trans	-58.5	152.1	177.5	25.6	-34.2	0	0	0	112.4	R151	P32-R151 PolarHBondContact O-NE 2.84Å; P32-R151 PolarHBondContact O-NH2 3.3Å
33	V	96.6	Very high	89.8	Confident	2 Å²	2	79.3 Å²	79.3	1%	0.012	42%	0.423	C	S	.	.	S	Bend	trans	-72	-48.2	177.8	171.3	0	0	0	0	111.1	V147 S149 R151 V157 L187	V33-V147 HydrophobicContact CG1-CG1 4.05Å; V33-S149 WeakPolarHBondContact CG2-O 3.37Å; V33-R151 HydrophobicContact CG2-CG 3.66Å; V33-V157 HydrophobicContact CG1-CG1 4.34Å; V33-V157 HydrophobicContact CG1-CG2 4.05Å; V33-L187 HydrophobicContact CG1-CD2 4.11Å
34	F	94.8	Very high	91.1	Very high	29 Å²	29	70.9 Å²	70.9	13%	0.127	38%	0.384	C	S	.	.	S	Bend	trans	-93.1	152	-176.8	-56	-75.1	0	0	0	111.7	V147 L187 V301 Q304 L305	F34-V147 HydrophobicContact CE1-CG1 4.24Å; F34-V147 HydrophobicContact CZ-CB 4.09Å; F34-V147 HydrophobicContact CZ-CG1 3.85Å; F34-L187 HydrophobicContact CD1-CD2 3.67Å; F34-L187 HydrophobicContact CE1-CD2 3.92Å; F34-V301 HydrophobicContact CE1-CG1 4.12Å; F34-V301 HydrophobicContact CE2-CG2 4.42Å; F34-V301 HydrophobicContact CZ-CB 4.36Å; F34-V301 HydrophobicContact CZ-CG1 3.8Å; F34-V301 HydrophobicContact CZ-CG2 4.02Å; F34-Q304 HydrophobicContact CB-CB 4.23Å; F34-Q304 HydrophobicContact CD1-CB 4.16Å; F34-Q304 HydrophobicContact CD2-CB 3.98Å; F34-Q304 HydrophobicContact CD2-CG 4.1Å; F34-Q304 HydrophobicContact CE2-CB 4.42Å; F34-Q304 HydrophobicContact CE2-CG 4.49Å; F34-Q304 HydrophobicContact CG-CB 3.85Å; F34-Q304 HydrophobicContact CG-CG 4.43Å; F34-L305 HydrophobicContact CD1-CD2 3.89Å; F34-L305 HydrophobicContact CD1-CG 4.31Å; F34-L305 HydrophobicContact CE1-CD2 3.9Å; F34-L305 HydrophobicContact CE1-CG 4.06Å
35	G	88.3	Confident	91.8	Very high	46 Å²	46	65.9 Å²	65.9	47%	0.474	36%	0.361	S	S	.	.	S	Bend	trans	82.1	169.3	179.5	0	0	0	0	0	114.3	N190	G35-N190 PolarHBondContact O-ND2 3Å
36	P	86.3	Confident	91.9	Very high	101 Å²	101	66 Å²	66	66%	0.656	36%	0.361	S	S	*	.			trans	-63.1	144.5	179.6	-20.7	33	0	0	0	112.1	S38	P36-S38 PolarHBondContact O-N 3.32Å
37	C	89.6	Confident	92	Very high	33 Å²	33	64.3 Å²	64.3	22%	0.223	35%	0.348	C	S	.	.			trans	-73.1	116.1	172.4	-173.5	0	0	0	0	109.3	Q39 E191	C37-Q39 VanDerWaalsContact SG-C 3.59Å; C37-E191 HydrophobicContact CB-CB 4.4Å
38	S	85.8	Confident	92.2	Very high	131 Å²	131	63.2 Å²	63.2	92%	0.916	34%	0.341	S	S	*	.	S	Bend	trans	-74.5	-39	177.2	-46.7	0	0	0	0	112.2	P36	P36-S38 PolarHBondContact O-N 3.32Å
39	Q	90.1	Very high	92.3	Very high	169 Å²	169	58.8 Å²	58.8	79%	0.79	32%	0.322	S	S	*	.	S	Bend	trans	-154.8	132.2	177.6	-174.2	175.9	14.7	0	0	109.5	C37	C37-Q39 VanDerWaalsContact SG-C 3.59Å
40	L	92.1	Very high	92.1	Very high	27 Å²	27	59.4 Å²	59.4	14%	0.141	33%	0.325	C	S	.	.			trans	-70.1	131.9	174.8	-72.3	172.3	0	0	0	110.5	T44 L45 E191 E192 I195	L40-T44 HydrophobicContact CD2-CG2 4.02Å; L40-L45 HydrophobicContact CD1-CD1 4.46Å; L40-E191 HydrophobicContact CD1-CB 4.4Å; L40-E191 HydrophobicContact CD2-CB 3.88Å; L40-E191 HydrophobicContact CG-CB 4.37Å; L40-E192 HydrophobicContact CD2-CB 3.86Å; L40-I195 HydrophobicContact CD1-CD1 3.74Å; L40-I195 HydrophobicContact CD2-CD1 3.89Å; L40-I195 HydrophobicContact CG-CD1 4.49Å
41	P	92.6	Very high	91.9	Very high	27 Å²	27	61.9 Å²	61.9	18%	0.175	34%	0.337	C	S	.	.			trans	-55	145.4	168.2	-26	35.6	0	0	0	111.1	H43 T44 L45 E192	P41-H43 WeakPolarHBondContact CB-NE2 3.29Å; P41-H43 PolarHBondContact O-N 2.98Å; P41-T44 WeakPolarHBondContact O-CB 3.37Å; P41-T44 PolarHBondContact O-N 3.3Å; P41-L45 PolarHBondContact O-N 3.21Å; P41-E192 WeakPolarHBondContact CG-OE1 3.49Å
42	R	91	Very high	91.8	Very high	225 Å²	225	60.9 Å²	60.9	85%	0.849	33%	0.327	S	S	*	.	H	α-helix	trans	-55.8	-40.7	-176.6	-69	-176.3	178.9	-179.9	-0.5	112.3	L45 Q46	R42-L45 PolarHBondContact O-N 3.22Å; R42-Q46 PolarHBondContact O-N 3.35Å
43	H	90.6	Very high	91.7	Very high	25 Å²	25	60.9 Å²	60.9	12%	0.116	32%	0.322	C	S	.	.	H	α-helix	trans	-66.4	-37.9	178.7	67.5	71.2	0	0	0	111.9	L22 L25 D29 H30 P41 Q46 K47	L22-H43 HydrophobicContact CD2-CB 3.7Å; L25-H43 HydrophobicContact CD1-CB 4.44Å; L25-H43 HydrophobicContact CD2-CB 4.4Å; D29-H43 PolarHBondContact O-NE2 3.3Å; H30-H43 AromaticContact CD2-CE1 3.43Å; H30-H43 PolarHBondContact CD2-CE1 3.33Å; H30-H43 VanDerWaalsContact CD2-CE1 3.43Å; H30-H43 AromaticContact NE2-CE1 3.49Å; H30-H43 PolarHBondContact NE2-CE1 3.21Å; P41-H43 WeakPolarHBondContact CB-NE2 3.29Å; P41-H43 PolarHBondContact O-N 2.98Å; H43-Q46 PolarHBondContact O-N 3.06Å; H43-K47 WeakPolarHBondContact O-CB 3.18Å; H43-K47 PolarHBondContact O-N 3.11Å
44	T	94.2	Very high	91.5	Very high	0 Å²	0	61 Å²	61	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-66.2	-40.6	174.3	-58.8	0	0	0	0	111.3	L40 P41 Q46 K47 A48 E192 I195	L40-T44 HydrophobicContact CD2-CG2 4.02Å; P41-T44 WeakPolarHBondContact O-CB 3.37Å; P41-T44 PolarHBondContact O-N 3.3Å; T44-Q46 VanDerWaalsContact C-N 3.34Å; T44-K47 WeakPolarHBondContact O-CB 3.26Å; T44-K47 PolarHBondContact O-N 3Å; T44-A48 PolarHBondContact O-N 3Å; T44-E192 HydrophobicContact CG2-CG 4.07Å; T44-E192 PolarHBondContact OG1-OE1 2.62Å; T44-I195 HydrophobicContact CG2-CB 3.94Å; T44-I195 HydrophobicContact CG2-CD1 3.82Å; T44-I195 HydrophobicContact CG2-CG2 3.76Å
45	L	93	Very high	91.2	Very high	51 Å²	51	66.8 Å²	66.8	27%	0.267	34%	0.343	S	S	.	.	H	α-helix	trans	-64.1	-41.1	175.3	-176	65.1	0	0	0	111.4	L40 P41 R42 A48 K49	L40-L45 HydrophobicContact CD1-CD1 4.46Å; P41-L45 PolarHBondContact O-N 3.21Å; R42-L45 PolarHBondContact O-N 3.22Å; L45-A48 WeakPolarHBondContact O-CB 3.45Å; L45-A48 PolarHBondContact O-N 3.39Å; L45-K49 PolarHBondContact O-N 3.02Å; L45-K49 VanDerWaalsContact O-N 3.11Å
46	Q	91.3	Very high	91.1	Very high	37 Å²	37	71.3 Å²	71.3	17%	0.173	35%	0.352	C	S	.	.	H	α-helix	trans	-62.9	-45.6	174.8	-175	61.6	33.9	0	0	111.3	L18 R42 H43 T44 A48 K49 D50	L18-Q46 HydrophobicContact CD2-CB 3.92Å; L18-Q46 HydrophobicContact CD2-CG 3.55Å; L18-Q46 HydrophobicContact CG-CG 4.48Å; R42-Q46 PolarHBondContact O-N 3.35Å; H43-Q46 PolarHBondContact O-N 3.06Å; T44-Q46 VanDerWaalsContact C-N 3.34Å; Q46-A48 VanDerWaalsContact C-N 3.26Å; Q46-A48 PolarHBondContact O-N 3.2Å; Q46-K49 WeakPolarHBondContact O-CB 3.5Å; Q46-K49 PolarHBondContact O-N 2.82Å; Q46-D50 WeakPolarHBondContact CG-OD2 3.47Å; Q46-D50 PolarHBondContact NE2-OD1 3.02Å; Q46-D50 PolarHBondContact NE2-OD2 3.47Å; Q46-D50 PolarHBondContact O-N 2.7Å
47	K	93.2	Very high	91.2	Very high	31 Å²	31	74.9 Å²	74.9	14%	0.135	36%	0.36	C	S	.	.	H	α-helix	trans	-58	-37.6	174.8	-175.5	179	-179.7	178.3	0	112.6	H43 T44 D50 E51 Y154 I195 N196	H43-K47 WeakPolarHBondContact O-CB 3.18Å; H43-K47 PolarHBondContact O-N 3.11Å; T44-K47 WeakPolarHBondContact O-CB 3.26Å; T44-K47 PolarHBondContact O-N 3Å; K47-D50 PolarHBondContact O-N 3.3Å; K47-E51 VanDerWaalsContact CE-OE1 3.23Å; K47-E51 WeakPolarHBondContact CE-OE1 3.45Å; K47-E51 HydrophobicContact CG-CG 4.04Å; K47-E51 WeakPolarHBondContact CG-OE1 3.45Å; K47-E51 VanDerWaalsContact O-CB 3.29Å; K47-E51 WeakPolarHBondContact O-CB 3.29Å; K47-E51 PolarHBondContact O-N 3.13Å; K47-Y154 PolarHBondContact NZ-O 3.07Å; K47-I195 HydrophobicContact CD-CG2 4.5Å; K47-I195 HydrophobicContact CG-CG2 4.47Å; K47-N196 WeakPolarHBondContact CD-OD1 3.46Å; K47-N196 WeakPolarHBondContact CE-OD1 3.48Å; K47-N196 PolarHBondContact NZ-OD1 2.81Å
48	A	94.2	Very high	91.3	Very high	0 Å²	0	75.3 Å²	75.3	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-64.4	-42.6	174.3	0	0	0	0	0	111.9	T44 L45 Q46 L52 N53 E54 I195	T44-A48 PolarHBondContact O-N 3Å; L45-A48 WeakPolarHBondContact O-CB 3.45Å; L45-A48 PolarHBondContact O-N 3.39Å; Q46-A48 VanDerWaalsContact C-N 3.26Å; Q46-A48 PolarHBondContact O-N 3.2Å; A48-L52 HydrophobicContact CB-CD1 4.33Å; A48-L52 CarbonylContact O-C 3.44Å; A48-L52 VanDerWaalsContact O-CA 3.29Å; A48-L52 WeakPolarHBondContact O-CA 3.4Å; A48-L52 WeakPolarHBondContact O-CB 3.36Å; A48-L52 PolarHBondContact O-N 3.23Å; A48-N53 PolarHBondContact O-N 3.34Å; A48-E54 HydrophobicContact CB-CB 4.04Å; A48-E54 PolarHBondContact O-N 3.4Å; A48-I195 HydrophobicContact CB-CD1 3.91Å; A48-I195 HydrophobicContact CB-CG1 4.09Å; A48-I195 HydrophobicContact CB-CG2 4.05Å
49	K	92.9	Very high	91.7	Very high	95 Å²	95	71 Å²	71	41%	0.413	33%	0.325	S	S	.	.	H	α-helix	trans	-60.3	-48.1	173.8	-70.2	173	179.2	-179.2	0	111.4	L45 Q46 N53 E54	L45-K49 PolarHBondContact O-N 3.02Å; L45-K49 VanDerWaalsContact O-N 3.11Å; Q46-K49 WeakPolarHBondContact O-CB 3.5Å; Q46-K49 PolarHBondContact O-N 2.82Å; K49-N53 WeakPolarHBondContact O-CA 3.48Å; K49-N53 PolarHBondContact O-N 2.71Å; K49-E54 VanDerWaalsContact CG-O 3.25Å; K49-E54 WeakPolarHBondContact CG-O 3.4Å
50	D	90.8	Very high	92	Very high	84 Å²	84	71 Å²	71	45%	0.449	33%	0.325	S	S	.	.	H	α-helix	trans	-77.6	-43.8	-171.1	-64.5	-21.7	0	0	0	113.1	Q46 K47	Q46-D50 WeakPolarHBondContact CG-OD2 3.47Å; Q46-D50 PolarHBondContact NE2-OD1 3.02Å; Q46-D50 PolarHBondContact NE2-OD2 3.47Å; Q46-D50 PolarHBondContact O-N 2.7Å; K47-D50 PolarHBondContact O-N 3.3Å
51	E	92	Very high	92.2	Very high	72 Å²	72	74.6 Å²	74.6	34%	0.336	34%	0.341	S	S	.	.	H	α-helix	trans	-93.4	-27.5	-175.6	-63.7	-172.7	-166.7	0	0	113.9	K47 K104 R234 K236	K47-E51 VanDerWaalsContact CE-OE1 3.23Å; K47-E51 WeakPolarHBondContact CE-OE1 3.45Å; K47-E51 HydrophobicContact CG-CG 4.04Å; K47-E51 WeakPolarHBondContact CG-OE1 3.45Å; K47-E51 VanDerWaalsContact O-CB 3.29Å; K47-E51 WeakPolarHBondContact O-CB 3.29Å; K47-E51 PolarHBondContact O-N 3.13Å; E51-K104 VanDerWaalsContact O-CD 3.24Å; E51-K104 WeakPolarHBondContact O-CD 3.44Å; E51-K104 WeakPolarHBondContact O-CE 3.24Å; E51-K104 WeakPolarHBondContact O-CG 3.46Å; E51-R234 IonicContact OE2-CZ 2.68Å; E51-R234 IonicContact OE2-NH1 3.77Å; E51-R234 PolarHBondContact OE2-NH1 3.18Å; E51-R234 IonicContact OE2-NH2 3.55Å; E51-R234 PolarHBondContact OE2-NH2 3.03Å; E51-K236 IonicContact OE2-NZ 2.84Å; E51-K236 PolarHBondContact OE2-NZ 3.39Å
52	L	93.4	Very high	92.4	Very high	0 Å²	0	73.7 Å²	73.7	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-112.4	-9.1	-172.3	-45.8	-177.9	0	0	0	113	A48 E54 R101 K104 F105 I195 R234	A48-L52 HydrophobicContact CB-CD1 4.33Å; A48-L52 CarbonylContact O-C 3.44Å; A48-L52 VanDerWaalsContact O-CA 3.29Å; A48-L52 WeakPolarHBondContact O-CA 3.4Å; A48-L52 WeakPolarHBondContact O-CB 3.36Å; A48-L52 PolarHBondContact O-N 3.23Å; L52-E54 HydrophobicContact CB-CB 4.46Å; L52-E54 PolarHBondContact O-N 2.86Å; L52-R101 HydrophobicContact CD1-CB 4.3Å; L52-R101 HydrophobicContact CD1-CG 4.47Å; L52-K104 HydrophobicContact CD2-CG 4.33Å; L52-K104 CarbonylContact O-C 3.54Å; L52-K104 WeakPolarHBondContact O-CA 3.47Å; L52-F105 HydrophobicContact CB-CD2 4.25Å; L52-F105 HydrophobicContact CB-CE2 4.48Å; L52-F105 WeakPolarHBondContact O-CD2 3.38Å; L52-F105 PolarHBondContact O-N 3.02Å; L52-I195 HydrophobicContact CD1-CB 4.4Å; L52-I195 HydrophobicContact CD1-CG1 4.13Å; L52-I195 HydrophobicContact CD1-CG2 4.22Å; L52-R234 VanDerWaalsContact CD2-CZ 3.49Å
53	N	92.9	Very high	92.8	Very high	94 Å²	94	63.2 Å²	63.2	50%	0.503	30%	0.297	S	S	.	.			trans	59.1	31.9	-173.2	-167	46	0	0	0	112.7	A48 K49	A48-N53 PolarHBondContact O-N 3.34Å; K49-N53 WeakPolarHBondContact O-CA 3.48Å; K49-N53 PolarHBondContact O-N 2.71Å
54	E	92.2	Very high	93.1	Very high	4 Å²	4	67.1 Å²	67.1	2%	0.019	31%	0.311	C	S	.	.			trans	-82.4	124.5	179.8	-177.9	157	-179.8	0	0	111.5	A48 K49 L52 R59 R101 F105	A48-E54 HydrophobicContact CB-CB 4.04Å; A48-E54 PolarHBondContact O-N 3.4Å; K49-E54 VanDerWaalsContact CG-O 3.25Å; K49-E54 WeakPolarHBondContact CG-O 3.4Å; L52-E54 HydrophobicContact CB-CB 4.46Å; L52-E54 PolarHBondContact O-N 2.86Å; E54-R59 IonicContact OE1-CZ 3.31Å; E54-R59 IonicContact OE1-NE 2.77Å; E54-R59 PolarHBondContact OE1-NE 3.48Å; E54-R59 IonicContact OE1-NH2 2.74Å; E54-R59 PolarHBondContact OE1-NH2 2.89Å; E54-R101 IonicContact OE1-CZ 3.19Å; E54-R101 IonicContact OE1-NE 2.63Å; E54-R101 PolarHBondContact OE1-NE 3.25Å; E54-R101 IonicContact OE1-NH2 2.73Å; E54-R101 PolarHBondContact OE1-NH2 3.4Å; E54-R101 WeakPolarHBondContact OE2-CG 3.17Å; E54-R101 IonicContact OE2-CZ 2.73Å; E54-R101 IonicContact OE2-NE 3.74Å; E54-R101 PolarHBondContact OE2-NE 2.95Å; E54-F105 HydrophobicContact CB-CD2 3.87Å; E54-F105 HydrophobicContact CB-CE1 4.25Å; E54-F105 HydrophobicContact CB-CE2 3.29Å; E54-F105 HydrophobicContact CB-CZ 3.53Å; E54-F105 HydrophobicContact CG-CD2 4.47Å; E54-F105 HydrophobicContact CG-CE1 3.96Å; E54-F105 HydrophobicContact CG-CE2 3.5Å; E54-F105 VanDerWaalsContact CG-CE2 3.5Å; E54-F105 HydrophobicContact CG-CZ 3.2Å; E54-F105 WeakPolarHBondContact OE2-CE2 3.36Å
55	R	89.6	Confident	93.3	Very high	151 Å²	151	70.8 Å²	70.8	57%	0.57	33%	0.328	S	S	*	.			trans	-127.3	144.9	169.1	-56.8	-179.2	-174.5	-176.1	1.8	109.3	E57 T58 R59	R55-E57 VanDerWaalsContact C-N 3.26Å; R55-E57 PolarHBondContact O-N 2.84Å; R55-T58 HydrophobicContact CB-CG2 4.08Å; R55-T58 PolarHBondContact N-OG1 3.48Å; R55-T58 PolarHBondContact O-N 2.74Å; R55-T58 PolarHBondContact O-OG1 3.07Å; R55-R59 PolarHBondContact O-N 3.32Å
56	E	85.2	Confident	93.6	Very high	140 Å²	140	68.3 Å²	68.3	65%	0.654	32%	0.315	S	S	*	.	H	α-helix	trans	-54.4	-44.8	-177.5	-65.6	-152.5	145.5	0	0	112.2	T58 R59	E56-T58 PolarHBondContact O-N 2.73Å; E56-R59 PolarHBondContact O-N 2.94Å
57	E	89.4	Confident	93.9	Very high	176 Å²	176	69.9 Å²	69.9	82%	0.822	32%	0.322	S	S	*	.	H	α-helix	trans	-61.1	-26.8	178.6	-60.7	169	-174.5	0	0	113.6	R55	R55-E57 VanDerWaalsContact C-N 3.26Å; R55-E57 PolarHBondContact O-N 2.84Å
58	T	90.8	Very high	94.1	Very high	43 Å²	43	73.4 Å²	73.4	26%	0.264	34%	0.339	S	S	.	.	H	α-helix	trans	-91	-10.8	-174.8	60	0	0	0	0	113.6	R55 E56 A62	R55-T58 HydrophobicContact CB-CG2 4.08Å; R55-T58 PolarHBondContact N-OG1 3.48Å; R55-T58 PolarHBondContact O-N 2.74Å; R55-T58 PolarHBondContact O-OG1 3.07Å; E56-T58 PolarHBondContact O-N 2.73Å; T58-A62 VanDerWaalsContact O-CB 3.26Å; T58-A62 WeakPolarHBondContact O-CB 3.49Å; T58-A62 PolarHBondContact O-N 3.02Å
59	R	94.9	Very high	94.3	Very high	40 Å²	40	76 Å²	76	15%	0.151	35%	0.352	C	S	.	.	H	α-helix	trans	-64.6	-50.9	-174	-71.6	-179.8	175.2	-174.6	-0.5	111.9	E54 R55 E56 A62 V63 L97 R101 F105 E191	E54-R59 IonicContact OE1-CZ 3.31Å; E54-R59 IonicContact OE1-NE 2.77Å; E54-R59 PolarHBondContact OE1-NE 3.48Å; E54-R59 IonicContact OE1-NH2 2.74Å; E54-R59 PolarHBondContact OE1-NH2 2.89Å; R55-R59 PolarHBondContact O-N 3.32Å; E56-R59 PolarHBondContact O-N 2.94Å; R59-A62 PolarHBondContact O-N 2.93Å; R59-V63 WeakPolarHBondContact O-CG2 3.16Å; R59-V63 PolarHBondContact O-N 3.41Å; R59-V63 VanDerWaalsContact O-N 3.13Å; R59-L97 HydrophobicContact CB-CD2 4.09Å; R59-L97 HydrophobicContact CG-CD2 4.32Å; R59-R101 VanDerWaalsContact CZ-NH2 3.27Å; R59-F105 HydrophobicContact CG-CE1 4.33Å; R59-F105 HydrophobicContact CG-CZ 4.48Å; R59-E191 IonicContact NH1-OE2 3.95Å
60	E	95.3	Very high	94.6	Very high	170 Å²	170	71.7 Å²	71.7	79%	0.794	33%	0.333	S	S	*	.	H	α-helix	trans	-65.7	-43.2	-176.5	-64	-178.7	178.3	0	0	111.4	V63 R64	E60-V63 PolarHBondContact O-N 3.22Å; E60-R64 PolarHBondContact O-N 2.89Å
61	E	96.6	Very high	94.9	Very high	101 Å²	101	73 Å²	73	47%	0.472	34%	0.337	S	S	.	.	H	α-helix	trans	-62.5	-47.3	177.1	-177.1	170.9	-145.2	0	0	111.7	V63 R64 E65	E61-V63 VanDerWaalsContact C-N 3.3Å; E61-V63 PolarHBondContact O-N 3.15Å; E61-R64 WeakPolarHBondContact O-CB 3.18Å; E61-R64 PolarHBondContact O-N 3.25Å; E61-E65 HydrophobicContact CG-CG 4.4Å; E61-E65 WeakPolarHBondContact O-CG 3.37Å; E61-E65 PolarHBondContact O-N 3.4Å
62	A	97.8	Very high	95.1	Very high	8 Å²	8	72.7 Å²	72.7	7%	0.066	35%	0.346	C	S	.	.	H	α-helix	trans	-63.1	-35.5	179.8	0	0	0	0	0	112.8	T58 R59 L66 I100 F105 V107	T58-A62 VanDerWaalsContact O-CB 3.26Å; T58-A62 WeakPolarHBondContact O-CB 3.49Å; T58-A62 PolarHBondContact O-N 3.02Å; R59-A62 PolarHBondContact O-N 2.93Å; A62-L66 WeakPolarHBondContact O-CB 3.43Å; A62-L66 PolarHBondContact O-N 3.05Å; A62-I100 HydrophobicContact CB-CD1 3.99Å; A62-I100 HydrophobicContact CB-CG2 3.97Å; A62-I100 WeakPolarHBondContact O-CD1 3.44Å; A62-F105 HydrophobicContact CB-CD1 4.41Å; A62-V107 HydrophobicContact CB-CG2 4.36Å
63	V	98.1	Very high	95.3	Very high	6 Å²	6	76.7 Å²	76.7	4%	0.036	37%	0.365	C	S	.	.	H	α-helix	trans	-65.4	-47.7	173.9	170.8	0	0	0	0	110.7	R59 E60 E61 E65 L66 Q67 F96 L97 I100	R59-V63 WeakPolarHBondContact O-CG2 3.16Å; R59-V63 PolarHBondContact O-N 3.41Å; R59-V63 VanDerWaalsContact O-N 3.13Å; E60-V63 PolarHBondContact O-N 3.22Å; E61-V63 VanDerWaalsContact C-N 3.3Å; E61-V63 PolarHBondContact O-N 3.15Å; V63-E65 PolarHBondContact O-N 3.48Å; V63-L66 PolarHBondContact O-N 2.91Å; V63-Q67 HydrophobicContact CG1-CG 4.43Å; V63-Q67 WeakPolarHBondContact O-CG 3.42Å; V63-Q67 PolarHBondContact O-N 3.44Å; V63-F96 HydrophobicContact CG1-CB 4.05Å; V63-F96 HydrophobicContact CG1-CD2 4.48Å; V63-F96 HydrophobicContact CG2-CB 4.32Å; V63-L97 HydrophobicContact CG2-CD1 4.49Å; V63-L97 HydrophobicContact CG2-CD2 3.56Å; V63-L97 HydrophobicContact CG2-CG 3.56Å; V63-I100 HydrophobicContact CB-CD1 4.35Å; V63-I100 HydrophobicContact CG2-CD1 3.72Å
64	R	97.9	Very high	95.5	Very high	107 Å²	107	73 Å²	73	40%	0.404	35%	0.347	S	S	.	.	H	α-helix	trans	-58.8	-47.8	177.7	-175.9	-170.7	62.2	75.5	8.1	111.1	E60 E61 L66 Q67 E68	E60-R64 PolarHBondContact O-N 2.89Å; E61-R64 WeakPolarHBondContact O-CB 3.18Å; E61-R64 PolarHBondContact O-N 3.25Å; R64-L66 VanDerWaalsContact C-N 3.32Å; R64-L66 PolarHBondContact O-N 3.42Å; R64-Q67 PolarHBondContact O-N 3.24Å; R64-E68 WeakPolarHBondContact CG-OE1 3.39Å; R64-E68 IonicContact CZ-OE1 2.69Å; R64-E68 IonicContact CZ-OE2 3.56Å; R64-E68 IonicContact NH1-OE1 3.59Å; R64-E68 PolarHBondContact NH1-OE1 2.82Å; R64-E68 IonicContact NH1-OE2 3.49Å; R64-E68 PolarHBondContact NH1-OE2 3.43Å; R64-E68 WeakPolarHBondContact O-CB 3.38Å; R64-E68 WeakPolarHBondContact O-CG 3.44Å; R64-E68 PolarHBondContact O-N 3.3Å
65	E	98.3	Very high	95.7	Very high	76 Å²	76	77.1 Å²	77.1	36%	0.355	38%	0.382	S	S	.	.	H	α-helix	trans	-60	-40.9	177.5	-73.2	-176.6	-173.4	0	0	112.4	E61 V63 M69 V107	E61-E65 HydrophobicContact CG-CG 4.4Å; E61-E65 WeakPolarHBondContact O-CG 3.37Å; E61-E65 PolarHBondContact O-N 3.4Å; V63-E65 PolarHBondContact O-N 3.48Å; E65-M69 VanDerWaalsContact O-CB 3.28Å; E65-M69 WeakPolarHBondContact O-CB 3.42Å; E65-M69 PolarHBondContact O-N 3.3Å; E65-V107 HydrophobicContact CB-CG1 4.06Å; E65-V107 HydrophobicContact CB-CG2 4.11Å; E65-V107 WeakPolarHBondContact OE2-CG2 3.36Å
66	L	98.5	Very high	96	Very high	0 Å²	0	73.9 Å²	73.9	0%	0	38%	0.383	C	S	.	.	H	α-helix	trans	-65.9	-42.9	177	-178.7	56.1	0	0	0	111.6	A62 V63 R64 M69 V70 F96 F99 I100 V107 A110 Y111	A62-L66 WeakPolarHBondContact O-CB 3.43Å; A62-L66 PolarHBondContact O-N 3.05Å; V63-L66 PolarHBondContact O-N 2.91Å; R64-L66 VanDerWaalsContact C-N 3.32Å; R64-L66 PolarHBondContact O-N 3.42Å; L66-M69 PolarHBondContact O-N 3Å; L66-V70 WeakPolarHBondContact O-CG2 3.41Å; L66-V70 PolarHBondContact O-N 2.9Å; L66-F96 HydrophobicContact CD2-CB 4.25Å; L66-F96 HydrophobicContact CD2-CD1 3.96Å; L66-F96 HydrophobicContact CG-CD1 4.17Å; L66-F99 HydrophobicContact CD2-CB 4.33Å; L66-I100 HydrophobicContact CB-CD1 4.4Å; L66-I100 HydrophobicContact CD2-CD1 4.1Å; L66-I100 HydrophobicContact CD2-CG1 3.81Å; L66-V107 HydrophobicContact CB-CG1 4.04Å; L66-V107 HydrophobicContact CD1-CG1 4.31Å; L66-A110 HydrophobicContact CD1-CB 4.41Å; L66-A110 HydrophobicContact CD2-CB 4.21Å; L66-Y111 HydrophobicContact CD1-CD2 4.38Å
67	Q	98.1	Very high	96.5	Very high	69 Å²	69	70 Å²	70	32%	0.322	38%	0.381	S	S	.	.	H	α-helix	trans	-64.1	-44.5	177.2	-72.6	175.3	-24.7	0	0	111.8	V63 R64 M69 V70 Q71 F96	V63-Q67 HydrophobicContact CG1-CG 4.43Å; V63-Q67 WeakPolarHBondContact O-CG 3.42Å; V63-Q67 PolarHBondContact O-N 3.44Å; R64-Q67 PolarHBondContact O-N 3.24Å; Q67-M69 VanDerWaalsContact C-N 3.33Å; Q67-M69 PolarHBondContact O-N 2.96Å; Q67-V70 WeakPolarHBondContact O-CB 3.36Å; Q67-V70 PolarHBondContact O-N 3.03Å; Q67-Q71 PolarHBondContact O-N 2.91Å; Q67-F96 HydrophobicContact CG-CD1 4.23Å; Q67-F96 HydrophobicContact CG-CD2 4.07Å; Q67-F96 HydrophobicContact CG-CE1 4.05Å; Q67-F96 HydrophobicContact CG-CE2 3.9Å; Q67-F96 HydrophobicContact CG-CG 4.25Å; Q67-F96 HydrophobicContact CG-CZ 3.88Å
68	E	97.8	Very high	96.8	Very high	105 Å²	105	65 Å²	65	49%	0.491	36%	0.357	S	S	.	.	H	α-helix	trans	-60.8	-42.6	174.5	-75.2	174.5	-173.4	0	0	111.3	R64 V70 Q71 A72	R64-E68 WeakPolarHBondContact CG-OE1 3.39Å; R64-E68 IonicContact CZ-OE1 2.69Å; R64-E68 IonicContact CZ-OE2 3.56Å; R64-E68 IonicContact NH1-OE1 3.59Å; R64-E68 PolarHBondContact NH1-OE1 2.82Å; R64-E68 IonicContact NH1-OE2 3.49Å; R64-E68 PolarHBondContact NH1-OE2 3.43Å; R64-E68 WeakPolarHBondContact O-CB 3.38Å; R64-E68 WeakPolarHBondContact O-CG 3.44Å; R64-E68 PolarHBondContact O-N 3.3Å; E68-V70 PolarHBondContact O-N 2.94Å; E68-Q71 PolarHBondContact O-N 3.33Å; E68-A72 VanDerWaalsContact O-CB 3.29Å; E68-A72 WeakPolarHBondContact O-CB 3.4Å; E68-A72 PolarHBondContact O-N 2.79Å
69	M	98.2	Very high	97.1	Very high	56 Å²	56	71 Å²	71	28%	0.276	38%	0.382	S	S	.	.	H	α-helix	trans	-62	-42	176	-174.1	175.2	-65.6	0	0	112	E65 L66 Q67 Q71 A72 Q73 V107 Y111	E65-M69 VanDerWaalsContact O-CB 3.28Å; E65-M69 WeakPolarHBondContact O-CB 3.42Å; E65-M69 PolarHBondContact O-N 3.3Å; L66-M69 PolarHBondContact O-N 3Å; Q67-M69 VanDerWaalsContact C-N 3.33Å; Q67-M69 PolarHBondContact O-N 2.96Å; M69-Q71 VanDerWaalsContact C-N 3.33Å; M69-Q71 PolarHBondContact O-N 3.02Å; M69-A72 PolarHBondContact O-N 3.38Å; M69-Q73 HydrophobicContact CG-CG 4.17Å; M69-Q73 WeakPolarHBondContact O-CB 3.44Å; M69-Q73 WeakPolarHBondContact O-CG 3.28Å; M69-Q73 PolarHBondContact O-N 2.93Å; M69-V107 HydrophobicContact CE-CG1 3.83Å; M69-V107 HydrophobicContact SD-CG1 4.28Å; M69-Y111 HydrophobicContact CG-CD1 4.24Å; M69-Y111 HydrophobicContact CG-CD2 4.41Å; M69-Y111 HydrophobicContact CG-CG 4.06Å; M69-Y111 VanDerWaalsContact SD-CB 3.56Å; M69-Y111 HydrophobicContact SD-CD1 3.99Å; M69-Y111 HydrophobicContact SD-CG 3.82Å
70	V	98.1	Very high	97.2	Very high	3 Å²	3	70.6 Å²	70.6	2%	0.018	38%	0.383	C	S	.	.	H	α-helix	trans	-56.6	-48.3	175.8	166.7	0	0	0	0	110.9	L66 Q67 E68 A74 V84 A85 Y111 L114	L66-V70 WeakPolarHBondContact O-CG2 3.41Å; L66-V70 PolarHBondContact O-N 2.9Å; Q67-V70 WeakPolarHBondContact O-CB 3.36Å; Q67-V70 PolarHBondContact O-N 3.03Å; E68-V70 PolarHBondContact O-N 2.94Å; V70-A74 WeakPolarHBondContact O-CB 3.47Å; V70-A74 PolarHBondContact O-N 3.39Å; V70-V84 HydrophobicContact CG1-CG1 4.08Å; V70-V84 HydrophobicContact CG2-CG1 4.23Å; V70-A85 HydrophobicContact CG1-CB 3.88Å; V70-Y111 HydrophobicContact CB-CE2 4.44Å; V70-Y111 HydrophobicContact CG2-CD2 3.79Å; V70-Y111 HydrophobicContact CG2-CE2 3.86Å; V70-L114 HydrophobicContact CG2-CD2 3.67Å
71	Q	97.6	Very high	97.4	Very high	113 Å²	113	62.5 Å²	62.5	53%	0.528	35%	0.345	S	S	.	.	H	α-helix	trans	-69.6	-42.5	-179.4	-62	-57.4	-34.7	0	0	112.3	Q67 E68 M69 Q73 A74 A75	Q67-Q71 PolarHBondContact O-N 2.91Å; E68-Q71 PolarHBondContact O-N 3.33Å; M69-Q71 VanDerWaalsContact C-N 3.33Å; M69-Q71 PolarHBondContact O-N 3.02Å; Q71-Q73 VanDerWaalsContact C-N 3.3Å; Q71-Q73 PolarHBondContact O-N 3.4Å; Q71-A74 PolarHBondContact O-N 3.45Å; Q71-A75 PolarHBondContact O-N 2.95Å
72	A	97.5	Very high	97.4	Very high	64 Å²	64	60 Å²	60	53%	0.529	34%	0.337	S	S	.	.	H	α-helix	trans	-61.2	-39.7	178.4	0	0	0	0	0	112.1	E68 M69	E68-A72 VanDerWaalsContact O-CB 3.29Å; E68-A72 WeakPolarHBondContact O-CB 3.4Å; E68-A72 PolarHBondContact O-N 2.79Å; M69-A72 PolarHBondContact O-N 3.38Å
73	Q	97.4	Very high	97.4	Very high	85 Å²	85	60.2 Å²	60.2	40%	0.397	34%	0.338	S	S	.	.	H	α-helix	trans	-72.7	-38.1	177.4	-65	-66.7	-27.2	0	0	111.6	M69 Q71 A75 S76 A81 Y111	M69-Q73 HydrophobicContact CG-CG 4.17Å; M69-Q73 WeakPolarHBondContact O-CB 3.44Å; M69-Q73 WeakPolarHBondContact O-CG 3.28Å; M69-Q73 PolarHBondContact O-N 2.93Å; Q71-Q73 VanDerWaalsContact C-N 3.3Å; Q71-Q73 PolarHBondContact O-N 3.4Å; Q73-A75 VanDerWaalsContact C-N 3.28Å; Q73-A75 PolarHBondContact O-N 3.25Å; Q73-S76 WeakPolarHBondContact O-CB 3.29Å; Q73-S76 PolarHBondContact O-N 3.35Å; Q73-S76 VanDerWaalsContact O-N 3.17Å; Q73-S76 PolarHBondContact O-OG 3.41Å; Q73-A81 HydrophobicContact CB-CB 4.07Å; Q73-Y111 HydrophobicContact CB-CE1 4.06Å; Q73-Y111 HydrophobicContact CB-CE2 4.45Å; Q73-Y111 WeakPolarHBondContact CB-OH 3.4Å; Q73-Y111 HydrophobicContact CG-CD1 4.43Å; Q73-Y111 HydrophobicContact CG-CE1 3.62Å
74	A	97.1	Very high	97.4	Very high	15 Å²	15	59.9 Å²	59.9	12%	0.124	34%	0.336	C	S	.	.	H	α-helix	trans	-63.1	-33.5	174.6	0	0	0	0	0	112.6	V70 Q71 S76 G77 V82 A85	V70-A74 WeakPolarHBondContact O-CB 3.47Å; V70-A74 PolarHBondContact O-N 3.39Å; Q71-A74 PolarHBondContact O-N 3.45Å; A74-S76 PolarHBondContact O-N 2.86Å; A74-S76 VanDerWaalsContact O-N 3.13Å; A74-G77 PolarHBondContact O-N 3.01Å; A74-V82 HydrophobicContact CB-CG2 4.48Å; A74-A85 HydrophobicContact CB-CB 3.66Å
75	A	96.7	Very high	97.4	Very high	91 Å²	91	55.3 Å²	55.3	75%	0.752	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-17.1	176.4	0	0	0	0	0	114	Q71 Q73 G77	Q71-A75 PolarHBondContact O-N 2.95Å; Q73-A75 VanDerWaalsContact C-N 3.28Å; Q73-A75 PolarHBondContact O-N 3.25Å; A75-G77 PolarHBondContact O-N 2.95Å
76	S	95.6	Very high	97.3	Very high	83 Å²	83	57.3 Å²	57.3	58%	0.58	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-16	172.7	74.1	0	0	0	0	113.6	Q73 A74 E78	Q73-S76 WeakPolarHBondContact O-CB 3.29Å; Q73-S76 PolarHBondContact O-N 3.35Å; Q73-S76 VanDerWaalsContact O-N 3.17Å; Q73-S76 PolarHBondContact O-OG 3.41Å; A74-S76 PolarHBondContact O-N 2.86Å; A74-S76 VanDerWaalsContact O-N 3.13Å; S76-E78 VanDerWaalsContact C-N 3.31Å; S76-E78 WeakPolarHBondContact OG-CB 3.42Å; S76-E78 PolarHBondContact OG-N 3.47Å
77	G	94.6	Very high	97.1	Very high	59 Å²	59	62.5 Å²	62.5	61%	0.608	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.6	8	-175.5	0	0	0	0	0	114.4	A74 A75 E79	A74-G77 PolarHBondContact O-N 3.01Å; A75-G77 PolarHBondContact O-N 2.95Å; G77-E79 PolarHBondContact O-N 3.31Å
78	E	96.8	Very high	97	Very high	70 Å²	70	59.7 Å²	59.7	33%	0.327	34%	0.337	S	S	.	.			trans	-67.6	126.4	174.8	-171.2	-86.6	133.8	0	0	111.1	S76 L80 A81 V82 R115	S76-E78 VanDerWaalsContact C-N 3.31Å; S76-E78 WeakPolarHBondContact OG-CB 3.42Å; S76-E78 PolarHBondContact OG-N 3.47Å; E78-L80 PolarHBondContact O-N 3.48Å; E78-L80 WeakPolarHBondContact OE1-CB 3.37Å; E78-L80 PolarHBondContact OE1-N 3.18Å; E78-A81 HydrophobicContact CB-CB 4.26Å; E78-A81 WeakPolarHBondContact O-CB 3.29Å; E78-A81 PolarHBondContact O-N 3.28Å; E78-A81 VanDerWaalsContact O-N 3.1Å; E78-A81 WeakPolarHBondContact OE2-CB 3.33Å; E78-A81 PolarHBondContact OE2-N 3.27Å; E78-V82 WeakPolarHBondContact O-CG2 3.44Å; E78-V82 PolarHBondContact O-N 2.75Å; E78-R115 VanDerWaalsContact CD-NH2 3.25Å; E78-R115 IonicContact OE1-NH2 3.64Å; E78-R115 PolarHBondContact OE1-NH2 3.39Å; E78-R115 IonicContact OE2-CZ 2.7Å; E78-R115 IonicContact OE2-NH1 3.93Å; E78-R115 PolarHBondContact OE2-NH1 2.99Å; E78-R115 IonicContact OE2-NH2 3.92Å; E78-R115 PolarHBondContact OE2-NH2 3.41Å
79	E	97.1	Very high	96.7	Very high	171 Å²	171	61.5 Å²	61.5	80%	0.799	35%	0.346	S	S	*	.	H	α-helix	trans	-55.6	-46.2	-167.3	-172.8	179.5	176.7	0	0	113.5	G77 V82 A83	G77-E79 PolarHBondContact O-N 3.31Å; E79-V82 PolarHBondContact O-N 3.17Å; E79-A83 PolarHBondContact O-N 3.31Å
80	L	97.3	Very high	96.5	Very high	31 Å²	31	66.9 Å²	66.9	16%	0.162	37%	0.37	C	S	.	.	H	α-helix	trans	-70.2	-38.4	179.6	-177.8	60.2	0	0	0	111.5	E78 V82 A83 V84 R115 V118 N119 L122	E78-L80 PolarHBondContact O-N 3.48Å; E78-L80 WeakPolarHBondContact OE1-CB 3.37Å; E78-L80 PolarHBondContact OE1-N 3.18Å; L80-V82 VanDerWaalsContact C-N 3.32Å; L80-V82 PolarHBondContact O-N 3.21Å; L80-A83 PolarHBondContact O-N 2.95Å; L80-V84 HydrophobicContact CD1-CG2 4.48Å; L80-V84 HydrophobicContact CG-CG2 4.5Å; L80-V84 VanDerWaalsContact O-CG2 3.22Å; L80-V84 WeakPolarHBondContact O-CG2 3.38Å; L80-V84 PolarHBondContact O-N 2.91Å; L80-R115 HydrophobicContact CD2-CB 4.12Å; L80-V118 HydrophobicContact CD1-CG1 4.09Å; L80-N119 HydrophobicContact CD1-CB 4.01Å; L80-N119 HydrophobicContact CD2-CB 4.11Å; L80-L122 HydrophobicContact CD1-CD1 3.92Å
81	A	97.6	Very high	96.4	Very high	0 Å²	0	71 Å²	71	0%	0	39%	0.388	C	S	.	.	H	α-helix	trans	-61.7	-40.4	176	0	0	0	0	0	112	Q73 E78 V84 A85 Y111	Q73-A81 HydrophobicContact CB-CB 4.07Å; E78-A81 HydrophobicContact CB-CB 4.26Å; E78-A81 WeakPolarHBondContact O-CB 3.29Å; E78-A81 PolarHBondContact O-N 3.28Å; E78-A81 VanDerWaalsContact O-N 3.1Å; E78-A81 WeakPolarHBondContact OE2-CB 3.33Å; E78-A81 PolarHBondContact OE2-N 3.27Å; A81-V84 PolarHBondContact O-N 2.78Å; A81-A85 PolarHBondContact O-N 3.45Å; A81-Y111 WeakPolarHBondContact CB-OH 3.47Å
82	V	98.1	Very high	96.3	Very high	48 Å²	48	70.4 Å²	70.4	29%	0.291	39%	0.388	S	S	.	.	H	α-helix	trans	-63.1	-49.1	174.3	175.1	0	0	0	0	110.4	A74 E78 E79 L80 V84 A85 E86	A74-V82 HydrophobicContact CB-CG2 4.48Å; E78-V82 WeakPolarHBondContact O-CG2 3.44Å; E78-V82 PolarHBondContact O-N 2.75Å; E79-V82 PolarHBondContact O-N 3.17Å; L80-V82 VanDerWaalsContact C-N 3.32Å; L80-V82 PolarHBondContact O-N 3.21Å; V82-V84 PolarHBondContact O-N 3.41Å; V82-A85 PolarHBondContact O-N 3.19Å; V82-A85 VanDerWaalsContact O-N 3.07Å; V82-E86 HydrophobicContact CG1-CG 4.47Å; V82-E86 WeakPolarHBondContact O-CG 3.5Å; V82-E86 PolarHBondContact O-N 3.13Å
83	A	97.6	Very high	96.2	Very high	12 Å²	12	70.6 Å²	70.6	10%	0.099	39%	0.386	C	S	.	.	H	α-helix	trans	-60.3	-31	177.3	0	0	0	0	0	113.3	E79 L80 R87 V118 L122	E79-A83 PolarHBondContact O-N 3.31Å; L80-A83 PolarHBondContact O-N 2.95Å; A83-R87 WeakPolarHBondContact O-CG 3.3Å; A83-R87 PolarHBondContact O-N 3.49Å; A83-V118 HydrophobicContact CB-CG1 4.28Å; A83-L122 HydrophobicContact CB-CD1 4.29Å
84	V	97.6	Very high	96.1	Very high	0 Å²	0	68 Å²	68	0%	0	38%	0.382	C	S	.	.	H	α-helix	trans	-68	-50.3	172	171	0	0	0	0	110.6	V70 L80 A81 V82 E86 R87 M88 Y111 L114 R115 V118	V70-V84 HydrophobicContact CG1-CG1 4.08Å; V70-V84 HydrophobicContact CG2-CG1 4.23Å; L80-V84 HydrophobicContact CD1-CG2 4.48Å; L80-V84 HydrophobicContact CG-CG2 4.5Å; L80-V84 VanDerWaalsContact O-CG2 3.22Å; L80-V84 WeakPolarHBondContact O-CG2 3.38Å; L80-V84 PolarHBondContact O-N 2.91Å; A81-V84 PolarHBondContact O-N 2.78Å; V82-V84 PolarHBondContact O-N 3.41Å; V84-E86 VanDerWaalsContact C-N 3.33Å; V84-E86 PolarHBondContact O-N 3.11Å; V84-R87 PolarHBondContact O-N 3.21Å; V84-M88 HydrophobicContact CG1-CG 4.17Å; V84-M88 WeakPolarHBondContact O-CB 3.21Å; V84-M88 WeakPolarHBondContact O-CG 3.23Å; V84-M88 PolarHBondContact O-N 2.97Å; V84-M88 VanDerWaalsContact O-N 3.1Å; V84-Y111 HydrophobicContact CG1-CE2 4.37Å; V84-L114 HydrophobicContact CG1-CD2 3.93Å; V84-L114 HydrophobicContact CG1-CG 3.94Å; V84-R115 HydrophobicContact CG2-CG 4.3Å; V84-V118 HydrophobicContact CB-CG2 4.41Å; V84-V118 HydrophobicContact CG2-CB 3.78Å; V84-V118 HydrophobicContact CG2-CG1 4.08Å; V84-V118 HydrophobicContact CG2-CG2 3.81Å
85	A	97.4	Very high	96.1	Very high	11 Å²	11	67.7 Å²	67.7	9%	0.091	38%	0.378	C	S	.	.	H	α-helix	trans	-58.6	-44.3	179.7	0	0	0	0	0	112.2	V70 A74 A81 V82 M88 Q89	V70-A85 HydrophobicContact CG1-CB 3.88Å; A74-A85 HydrophobicContact CB-CB 3.66Å; A81-A85 PolarHBondContact O-N 3.45Å; V82-A85 PolarHBondContact O-N 3.19Å; V82-A85 VanDerWaalsContact O-N 3.07Å; A85-M88 PolarHBondContact O-N 3.01Å; A85-Q89 PolarHBondContact O-N 3.13Å
86	E	96.7	Very high	96.2	Very high	118 Å²	118	63.7 Å²	63.7	55%	0.551	34%	0.344	S	S	*	.	H	α-helix	trans	-60.4	-47.8	177.9	-70.8	177.1	169.9	0	0	112.4	V82 V84 M88 Q89	V82-E86 HydrophobicContact CG1-CG 4.47Å; V82-E86 WeakPolarHBondContact O-CG 3.5Å; V82-E86 PolarHBondContact O-N 3.13Å; V84-E86 VanDerWaalsContact C-N 3.33Å; V84-E86 PolarHBondContact O-N 3.11Å; E86-M88 VanDerWaalsContact C-N 3.26Å; E86-M88 PolarHBondContact O-N 3.37Å; E86-Q89 VanDerWaalsContact O-CG 3.24Å; E86-Q89 WeakPolarHBondContact O-CG 3.42Å
87	R	95	Very high	96.3	Very high	109 Å²	109	60.6 Å²	60.6	41%	0.411	32%	0.321	S	S	.	.	H	α-helix	trans	-72.3	-19.5	-178	-73.3	-171	172.7	78.3	-1.7	113.9	A83 V84 L122	A83-R87 WeakPolarHBondContact O-CG 3.3Å; A83-R87 PolarHBondContact O-N 3.49Å; V84-R87 PolarHBondContact O-N 3.21Å; R87-L122 VanDerWaalsContact NH2-CD2 3.33Å
88	M	95.3	Very high	96.5	Very high	9 Å²	9	59.3 Å²	59.3	4%	0.044	30%	0.297	C	S	.	.	H	α-helix	trans	-100.2	-5.3	-175.2	-60.4	-57.3	120.1	0	0	113.9	V84 A85 E86 E90 K91 F95 F96 L114 Y117 V118	V84-M88 HydrophobicContact CG1-CG 4.17Å; V84-M88 WeakPolarHBondContact O-CB 3.21Å; V84-M88 WeakPolarHBondContact O-CG 3.23Å; V84-M88 PolarHBondContact O-N 2.97Å; V84-M88 VanDerWaalsContact O-N 3.1Å; A85-M88 PolarHBondContact O-N 3.01Å; E86-M88 VanDerWaalsContact C-N 3.26Å; E86-M88 PolarHBondContact O-N 3.37Å; M88-E90 VanDerWaalsContact C-N 3.25Å; M88-E90 PolarHBondContact O-N 2.92Å; M88-K91 WeakPolarHBondContact O-CB 3.34Å; M88-K91 PolarHBondContact O-N 3Å; M88-K91 VanDerWaalsContact O-N 3.12Å; M88-K91 HydrophobicContact SD-CG 3.95Å; M88-F95 HydrophobicContact CE-CE1 4.35Å; M88-F95 HydrophobicContact CE-CZ 4.18Å; M88-F95 HydrophobicContact SD-CD1 4.19Å; M88-F95 HydrophobicContact SD-CE1 3.22Å; M88-F95 WeakPolarHBondContact SD-CE1 3.42Å; M88-F95 HydrophobicContact SD-CZ 3.62Å; M88-F96 HydrophobicContact CB-CE1 4.25Å; M88-F96 HydrophobicContact CB-CZ 4.02Å; M88-L114 HydrophobicContact CE-CD1 4.49Å; M88-L114 HydrophobicContact CG-CD1 4.18Å; M88-L114 HydrophobicContact CG-CD2 4.17Å; M88-L114 HydrophobicContact CG-CG 4.38Å; M88-L114 HydrophobicContact SD-CD1 3.72Å; M88-Y117 HydrophobicContact CE-CD1 4.35Å; M88-Y117 HydrophobicContact CE-CE1 4.03Å; M88-V118 HydrophobicContact CE-CG2 3.9Å
89	Q	92	Very high	96.6	Very high	143 Å²	143	56 Å²	56	67%	0.668	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-32.9	-175.1	71.2	-174.6	-10.6	0	0	114.5	A85 E86	A85-Q89 PolarHBondContact O-N 3.13Å; E86-Q89 VanDerWaalsContact O-CG 3.24Å; E86-Q89 WeakPolarHBondContact O-CG 3.42Å
90	E	93.7	Very high	96.6	Very high	170 Å²	170	47.8 Å²	47.8	79%	0.794	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.1	7.8	-176.9	-81.2	166	-144.7	0	0	113.2	M88	M88-E90 VanDerWaalsContact C-N 3.25Å; M88-E90 PolarHBondContact O-N 2.92Å
91	K	95.6	Very high	96.6	Very high	88 Å²	88	46.3 Å²	46.3	38%	0.383	24%	0.236	S	C	.	.			trans	-86.5	137.7	-176.8	-61.7	-57.7	-176	-171	0	111.4	M88 F95 F96	M88-K91 WeakPolarHBondContact O-CB 3.34Å; M88-K91 PolarHBondContact O-N 3Å; M88-K91 VanDerWaalsContact O-N 3.12Å; M88-K91 HydrophobicContact SD-CG 3.95Å; K91-F95 HydrophobicContact CB-CB 3.99Å; K91-F95 HydrophobicContact CB-CD1 3.61Å; K91-F95 HydrophobicContact CB-CE1 4.28Å; K91-F95 HydrophobicContact CB-CG 3.81Å; K91-F95 HydrophobicContact CD-CD1 4.28Å; K91-F95 HydrophobicContact CD-CD2 3.95Å; K91-F95 HydrophobicContact CD-CE2 4.18Å; K91-F95 HydrophobicContact CD-CG 4Å; K91-F95 HydrophobicContact CD-CZ 4.45Å; K91-F95 HydrophobicContact CG-CD1 3.76Å; K91-F95 HydrophobicContact CG-CD2 4.34Å; K91-F95 HydrophobicContact CG-CE1 3.96Å; K91-F95 HydrophobicContact CG-CE2 4.5Å; K91-F95 HydrophobicContact CG-CG 3.97Å; K91-F95 HydrophobicContact CG-CZ 4.31Å; K91-F96 HydrophobicContact CB-CE2 3.96Å; K91-F96 HydrophobicContact CB-CZ 4.29Å; K91-F96 WeakPolarHBondContact O-CE2 3.46Å
92	D	95.4	Very high	96.6	Very high	101 Å²	101	46.9 Å²	46.9	54%	0.54	24%	0.241	S	C	.	.			trans	-76	169.2	176.5	65	38.9	0	0	0	112.6	G94 F95 F96	D92-G94 PolarHBondContact O-N 2.81Å; D92-G94 VanDerWaalsContact OD1-CA 3.3Å; D92-G94 WeakPolarHBondContact OD1-CA 3.44Å; D92-G94 PolarHBondContact OD1-N 3.2Å; D92-F95 WeakPolarHBondContact O-CB 3.4Å; D92-F95 PolarHBondContact O-N 3.19Å; D92-F95 PolarHBondContact OD1-N 3.49Å; D92-F96 WeakPolarHBondContact O-CD2 3.43Å; D92-F96 PolarHBondContact O-N 3.49Å
93	S	95.9	Very high	96.6	Very high	69 Å²	69	46.9 Å²	46.9	48%	0.483	24%	0.235	S	C	.	.	H	α-helix	trans	-59.5	-32.6	177.3	-55.1	0	0	0	0	113.1	F95 F96 L97	S93-F95 VanDerWaalsContact C-N 3.31Å; S93-F95 PolarHBondContact O-N 3.45Å; S93-F96 PolarHBondContact O-N 2.66Å; S93-L97 WeakPolarHBondContact O-CG 3.5Å; S93-L97 PolarHBondContact O-N 3.02Å
94	G	95.9	Very high	96.5	Very high	31 Å²	31	51.5 Å²	51.5	32%	0.32	25%	0.253	S	S	.	.	H	α-helix	trans	-64	-36.2	178	0	0	0	0	0	112.2	D92 L97 R98	D92-G94 PolarHBondContact O-N 2.81Å; D92-G94 VanDerWaalsContact OD1-CA 3.3Å; D92-G94 WeakPolarHBondContact OD1-CA 3.44Å; D92-G94 PolarHBondContact OD1-N 3.2Å; G94-L97 PolarHBondContact O-N 3.16Å; G94-R98 WeakPolarHBondContact O-CG 3.23Å; G94-R98 PolarHBondContact O-N 3.47Å
95	F	97.4	Very high	96.5	Very high	7 Å²	7	52.7 Å²	52.7	3%	0.031	26%	0.258	C	S	.	.	H	α-helix	trans	-62	-49.6	173.5	178.3	-86.7	0	0	0	111.4	M88 K91 D92 S93 L97 R98 F99 L114 Y117	M88-F95 HydrophobicContact CE-CE1 4.35Å; M88-F95 HydrophobicContact CE-CZ 4.18Å; M88-F95 HydrophobicContact SD-CD1 4.19Å; M88-F95 HydrophobicContact SD-CE1 3.22Å; M88-F95 WeakPolarHBondContact SD-CE1 3.42Å; M88-F95 HydrophobicContact SD-CZ 3.62Å; K91-F95 HydrophobicContact CB-CB 3.99Å; K91-F95 HydrophobicContact CB-CD1 3.61Å; K91-F95 HydrophobicContact CB-CE1 4.28Å; K91-F95 HydrophobicContact CB-CG 3.81Å; K91-F95 HydrophobicContact CD-CD1 4.28Å; K91-F95 HydrophobicContact CD-CD2 3.95Å; K91-F95 HydrophobicContact CD-CE2 4.18Å; K91-F95 HydrophobicContact CD-CG 4Å; K91-F95 HydrophobicContact CD-CZ 4.45Å; K91-F95 HydrophobicContact CG-CD1 3.76Å; K91-F95 HydrophobicContact CG-CD2 4.34Å; K91-F95 HydrophobicContact CG-CE1 3.96Å; K91-F95 HydrophobicContact CG-CE2 4.5Å; K91-F95 HydrophobicContact CG-CG 3.97Å; K91-F95 HydrophobicContact CG-CZ 4.31Å; D92-F95 WeakPolarHBondContact O-CB 3.4Å; D92-F95 PolarHBondContact O-N 3.19Å; D92-F95 PolarHBondContact OD1-N 3.49Å; S93-F95 VanDerWaalsContact C-N 3.31Å; S93-F95 PolarHBondContact O-N 3.45Å; F95-L97 VanDerWaalsContact C-N 3.31Å; F95-L97 PolarHBondContact O-N 3.15Å; F95-R98 VanDerWaalsContact O-CB 3.29Å; F95-R98 WeakPolarHBondContact O-CB 3.41Å; F95-R98 PolarHBondContact O-N 3.09Å; F95-F99 HydrophobicContact CD1-CD2 4.44Å; F95-F99 AromaticContact CD1-CE2 3.93Å; F95-F99 HydrophobicContact CD1-CE2 3.93Å; F95-F99 HydrophobicContact CE1-CD2 4.11Å; F95-F99 AromaticContact CE1-CE2 3.3Å; F95-F99 HydrophobicContact CE1-CE2 3.3Å; F95-F99 AromaticContact CE1-CZ 3.97Å; F95-F99 HydrophobicContact CE1-CZ 3.97Å; F95-F99 HydrophobicContact CE2-CE2 4.07Å; F95-F99 AromaticContact CZ-CE2 3.41Å; F95-F99 HydrophobicContact CZ-CE2 3.41Å; F95-F99 VanDerWaalsContact CZ-CE2 3.41Å; F95-F99 AromaticContact CZ-CZ 3.74Å; F95-F99 HydrophobicContact CZ-CZ 3.74Å; F95-F99 WeakPolarHBondContact O-CD2 3.35Å; F95-L114 HydrophobicContact CE1-CD1 4.06Å; F95-Y117 HydrophobicContact CZ-CE1 4.16Å
96	F	98.3	Very high	96.5	Very high	7 Å²	7	55.6 Å²	55.6	3%	0.031	27%	0.272	C	S	.	.	H	α-helix	trans	-63.1	-36.7	178.4	-68.9	-78.4	0	0	0	112.4	V63 L66 Q67 M88 K91 D92 S93 R98 F99 I100 L114	V63-F96 HydrophobicContact CG1-CB 4.05Å; V63-F96 HydrophobicContact CG1-CD2 4.48Å; V63-F96 HydrophobicContact CG2-CB 4.32Å; L66-F96 HydrophobicContact CD2-CB 4.25Å; L66-F96 HydrophobicContact CD2-CD1 3.96Å; L66-F96 HydrophobicContact CG-CD1 4.17Å; Q67-F96 HydrophobicContact CG-CD1 4.23Å; Q67-F96 HydrophobicContact CG-CD2 4.07Å; Q67-F96 HydrophobicContact CG-CE1 4.05Å; Q67-F96 HydrophobicContact CG-CE2 3.9Å; Q67-F96 HydrophobicContact CG-CG 4.25Å; Q67-F96 HydrophobicContact CG-CZ 3.88Å; M88-F96 HydrophobicContact CB-CE1 4.25Å; M88-F96 HydrophobicContact CB-CZ 4.02Å; K91-F96 HydrophobicContact CB-CE2 3.96Å; K91-F96 HydrophobicContact CB-CZ 4.29Å; K91-F96 WeakPolarHBondContact O-CE2 3.46Å; D92-F96 WeakPolarHBondContact O-CD2 3.43Å; D92-F96 PolarHBondContact O-N 3.49Å; S93-F96 PolarHBondContact O-N 2.66Å; F96-R98 PolarHBondContact O-N 3.47Å; F96-F99 PolarHBondContact O-N 3.41Å; F96-F99 VanDerWaalsContact O-N 3.1Å; F96-I100 WeakPolarHBondContact O-CG1 3.05Å; F96-I100 PolarHBondContact O-N 3.06Å; F96-L114 HydrophobicContact CE1-CD2 4.29Å
97	L	97.6	Very high	96.6	Very high	19 Å²	19	50.7 Å²	50.7	10%	0.099	25%	0.25	C	S	.	.	H	α-helix	trans	-58.2	-31.1	175.9	-78.8	173.9	0	0	0	113.3	R59 V63 S93 G94 F95 F99 I100 R101	R59-L97 HydrophobicContact CB-CD2 4.09Å; R59-L97 HydrophobicContact CG-CD2 4.32Å; V63-L97 HydrophobicContact CG2-CD1 4.49Å; V63-L97 HydrophobicContact CG2-CD2 3.56Å; V63-L97 HydrophobicContact CG2-CG 3.56Å; S93-L97 WeakPolarHBondContact O-CG 3.5Å; S93-L97 PolarHBondContact O-N 3.02Å; G94-L97 PolarHBondContact O-N 3.16Å; F95-L97 VanDerWaalsContact C-N 3.31Å; F95-L97 PolarHBondContact O-N 3.15Å; L97-F99 VanDerWaalsContact C-N 3.31Å; L97-F99 PolarHBondContact O-N 3.12Å; L97-I100 HydrophobicContact CD2-CD1 4.34Å; L97-I100 PolarHBondContact O-N 3.32Å; L97-R101 WeakPolarHBondContact O-CB 3.29Å; L97-R101 WeakPolarHBondContact O-CG 3.31Å; L97-R101 PolarHBondContact O-N 3.41Å
98	R	98.1	Very high	96.7	Very high	31 Å²	31	46.9 Å²	46.9	12%	0.117	25%	0.245	C	C	.	.	H	α-helix	trans	-56.8	-45.9	175.4	-59.8	164.5	-168.1	-176	1.6	111	G94 F95 F96 A102 L188 Q194 P232	G94-R98 WeakPolarHBondContact O-CG 3.23Å; G94-R98 PolarHBondContact O-N 3.47Å; F95-R98 VanDerWaalsContact O-CB 3.29Å; F95-R98 WeakPolarHBondContact O-CB 3.41Å; F95-R98 PolarHBondContact O-N 3.09Å; F96-R98 PolarHBondContact O-N 3.47Å; R98-A102 VanDerWaalsContact O-CB 3.31Å; R98-A102 WeakPolarHBondContact O-CB 3.28Å; R98-A102 PolarHBondContact O-N 2.82Å; R98-L188 PolarHBondContact NE-O 2.68Å; R98-Q194 HydrophobicContact CG-CG 4.27Å; R98-P232 HydrophobicContact CB-CB 3.86Å; R98-P232 HydrophobicContact CB-CG 3.8Å
99	F	98.5	Very high	96.9	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-69.7	-41.9	-178.7	-65.5	-96	0	0	0	111.8	L66 F95 F96 L97 A102 R103 A110 L113 L114 Y117 P232	L66-F99 HydrophobicContact CD2-CB 4.33Å; F95-F99 HydrophobicContact CD1-CD2 4.44Å; F95-F99 AromaticContact CD1-CE2 3.93Å; F95-F99 HydrophobicContact CD1-CE2 3.93Å; F95-F99 HydrophobicContact CE1-CD2 4.11Å; F95-F99 AromaticContact CE1-CE2 3.3Å; F95-F99 HydrophobicContact CE1-CE2 3.3Å; F95-F99 AromaticContact CE1-CZ 3.97Å; F95-F99 HydrophobicContact CE1-CZ 3.97Å; F95-F99 HydrophobicContact CE2-CE2 4.07Å; F95-F99 AromaticContact CZ-CE2 3.41Å; F95-F99 HydrophobicContact CZ-CE2 3.41Å; F95-F99 VanDerWaalsContact CZ-CE2 3.41Å; F95-F99 AromaticContact CZ-CZ 3.74Å; F95-F99 HydrophobicContact CZ-CZ 3.74Å; F95-F99 WeakPolarHBondContact O-CD2 3.35Å; F96-F99 PolarHBondContact O-N 3.41Å; F96-F99 VanDerWaalsContact O-N 3.1Å; L97-F99 VanDerWaalsContact C-N 3.31Å; L97-F99 PolarHBondContact O-N 3.12Å; F99-A102 PolarHBondContact O-N 2.84Å; F99-R103 WeakPolarHBondContact O-CB 3.31Å; F99-R103 PolarHBondContact O-N 3.32Å; F99-R103 VanDerWaalsContact O-N 3.16Å; F99-A110 HydrophobicContact CB-CB 4.28Å; F99-L113 HydrophobicContact CD1-CB 4.26Å; F99-L113 HydrophobicContact CD1-CD2 3.95Å; F99-L113 HydrophobicContact CD1-CG 3.74Å; F99-L113 HydrophobicContact CE1-CG 4.21Å; F99-L114 HydrophobicContact CD1-CB 3.9Å; F99-L114 HydrophobicContact CD1-CD1 3.82Å; F99-L114 HydrophobicContact CD1-CG 4.49Å; F99-L114 HydrophobicContact CD2-CD1 4.1Å; F99-L114 HydrophobicContact CE1-CB 4.13Å; F99-L114 HydrophobicContact CE1-CD1 3.47Å; F99-L114 VanDerWaalsContact CE1-CD1 3.47Å; F99-L114 HydrophobicContact CE1-CG 4.42Å; F99-L114 HydrophobicContact CE2-CD1 3.77Å; F99-L114 HydrophobicContact CG-CD1 4.15Å; F99-L114 HydrophobicContact CZ-CD1 3.44Å; F99-L114 VanDerWaalsContact CZ-CD1 3.44Å; F99-Y117 HydrophobicContact CE1-CD2 4.22Å; F99-Y117 AromaticContact CE1-CG 3.99Å; F99-Y117 HydrophobicContact CE1-CG 3.99Å; F99-Y117 HydrophobicContact CZ-CD1 4.22Å; F99-Y117 AromaticContact CZ-CD2 3.92Å; F99-Y117 HydrophobicContact CZ-CD2 3.92Å; F99-Y117 HydrophobicContact CZ-CE2 4.32Å; F99-Y117 AromaticContact CZ-CG 3.87Å; F99-Y117 HydrophobicContact CZ-CG 3.87Å; F99-P232 HydrophobicContact CD1-CB 4.06Å; F99-P232 HydrophobicContact CD1-CG 4.48Å; F99-P232 HydrophobicContact CD2-CB 4.26Å; F99-P232 HydrophobicContact CD2-CG 4.3Å; F99-P232 HydrophobicContact CE1-CB 4.13Å; F99-P232 HydrophobicContact CE1-CG 4.1Å; F99-P232 HydrophobicContact CE2-CB 4.31Å; F99-P232 HydrophobicContact CE2-CG 3.89Å; F99-P232 HydrophobicContact CG-CB 4.1Å; F99-P232 HydrophobicContact CZ-CB 4.26Å; F99-P232 HydrophobicContact CZ-CG 3.79Å
100	I	98.4	Very high	97.2	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-61.9	-48.9	178.5	-64.6	164.7	0	0	0	110.1	A62 V63 L66 F96 L97 R103 K104 F105 A110	A62-I100 HydrophobicContact CB-CD1 3.99Å; A62-I100 HydrophobicContact CB-CG2 3.97Å; A62-I100 WeakPolarHBondContact O-CD1 3.44Å; V63-I100 HydrophobicContact CB-CD1 4.35Å; V63-I100 HydrophobicContact CG2-CD1 3.72Å; L66-I100 HydrophobicContact CB-CD1 4.4Å; L66-I100 HydrophobicContact CD2-CD1 4.1Å; L66-I100 HydrophobicContact CD2-CG1 3.81Å; F96-I100 WeakPolarHBondContact O-CG1 3.05Å; F96-I100 PolarHBondContact O-N 3.06Å; L97-I100 HydrophobicContact CD2-CD1 4.34Å; L97-I100 PolarHBondContact O-N 3.32Å; I100-R103 CarbonylContact O-C 3.42Å; I100-R103 PolarHBondContact O-N 3.41Å; I100-R103 VanDerWaalsContact O-N 3.15Å; I100-K104 PolarHBondContact O-N 3.12Å; I100-F105 HydrophobicContact CG2-CB 4.28Å; I100-F105 HydrophobicContact CG2-CD1 3.65Å; I100-F105 HydrophobicContact CG2-CD2 4.02Å; I100-F105 HydrophobicContact CG2-CE1 3.79Å; I100-F105 HydrophobicContact CG2-CE2 4.13Å; I100-F105 HydrophobicContact CG2-CG 3.75Å; I100-F105 HydrophobicContact CG2-CZ 4Å; I100-F105 PolarHBondContact O-N 3.24Å; I100-A110 HydrophobicContact CG1-CB 4.24Å
101	R	97.4	Very high	97.4	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-59	-48.6	174.9	-79	174.2	171.1	154.4	0.6	112.2	L52 E54 R59 L97 R103 K104 F105 E191 Q194	L52-R101 HydrophobicContact CD1-CB 4.3Å; L52-R101 HydrophobicContact CD1-CG 4.47Å; E54-R101 IonicContact OE1-CZ 3.19Å; E54-R101 IonicContact OE1-NE 2.63Å; E54-R101 PolarHBondContact OE1-NE 3.25Å; E54-R101 IonicContact OE1-NH2 2.73Å; E54-R101 PolarHBondContact OE1-NH2 3.4Å; E54-R101 WeakPolarHBondContact OE2-CG 3.17Å; E54-R101 IonicContact OE2-CZ 2.73Å; E54-R101 IonicContact OE2-NE 3.74Å; E54-R101 PolarHBondContact OE2-NE 2.95Å; R59-R101 VanDerWaalsContact CZ-NH2 3.27Å; L97-R101 WeakPolarHBondContact O-CB 3.29Å; L97-R101 WeakPolarHBondContact O-CG 3.31Å; L97-R101 PolarHBondContact O-N 3.41Å; R101-R103 PolarHBondContact O-N 3.38Å; R101-K104 PolarHBondContact O-N 3.13Å; R101-K104 VanDerWaalsContact O-N 3.15Å; R101-F105 HydrophobicContact CG-CE2 3.78Å; R101-F105 HydrophobicContact CG-CZ 4.21Å; R101-E191 IonicContact CZ-OE1 3.49Å; R101-E191 IonicContact CZ-OE2 3.78Å; R101-E191 VanDerWaalsContact NH1-CG 3.31Å; R101-E191 IonicContact NH1-OE1 3.42Å; R101-E191 PolarHBondContact NH1-OE1 2.83Å; R101-E191 IonicContact NH1-OE2 2.88Å; R101-E191 IonicContact NH2-OE1 3.62Å; R101-E191 PolarHBondContact NH2-OE1 2.84Å; R101-E191 IonicContact NH2-OE2 3.84Å; R101-E191 PolarHBondContact NH2-OE2 2.84Å; R101-Q194 VanDerWaalsContact CD-OE1 3.25Å
102	A	97	Very high	97.5	Very high	12 Å²	12	40.6 Å²	40.6	10%	0.099	21%	0.21	C	C	.	.	H	α-helix	trans	-60.3	-19.4	179.4	0	0	0	0	0	113.4	R98 F99 L113 P232	R98-A102 VanDerWaalsContact O-CB 3.31Å; R98-A102 WeakPolarHBondContact O-CB 3.28Å; R98-A102 PolarHBondContact O-N 2.82Å; F99-A102 PolarHBondContact O-N 2.84Å; A102-L113 HydrophobicContact CB-CD2 3.68Å; A102-P232 HydrophobicContact CB-CB 4.15Å
103	R	97.4	Very high	97.7	Very high	47 Å²	47	35.8 Å²	35.8	18%	0.177	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.2	22.6	-178.9	-66.6	-64.1	-167.3	-100.9	6	114.8	F99 I100 R101 F105 N106 R109 A110 L113 D229	F99-R103 WeakPolarHBondContact O-CB 3.31Å; F99-R103 PolarHBondContact O-N 3.32Å; F99-R103 VanDerWaalsContact O-N 3.16Å; I100-R103 CarbonylContact O-C 3.42Å; I100-R103 PolarHBondContact O-N 3.41Å; I100-R103 VanDerWaalsContact O-N 3.15Å; R101-R103 PolarHBondContact O-N 3.38Å; R103-F105 VanDerWaalsContact C-N 3.29Å; R103-F105 PolarHBondContact O-N 3.34Å; R103-N106 WeakPolarHBondContact O-CB 3.15Å; R103-N106 PolarHBondContact O-N 2.97Å; R103-R109 HydrophobicContact CB-CB 3.98Å; R103-R109 HydrophobicContact CG-CB 4.15Å; R103-R109 WeakPolarHBondContact CG-O 3.34Å; R103-A110 HydrophobicContact CB-CB 4.16Å; R103-A110 HydrophobicContact CG-CB 4.49Å; R103-L113 HydrophobicContact CG-CB 4.13Å; R103-L113 HydrophobicContact CG-CD2 3.82Å; R103-D229 IonicContact CZ-OD1 2.82Å; R103-D229 IonicContact NH1-OD1 3Å; R103-D229 VanDerWaalsContact NH2-CG 3.32Å; R103-D229 IonicContact NH2-OD1 2.71Å; R103-D229 PolarHBondContact NH2-OD1 3.02Å
104	K	96.6	Very high	97.8	Very high	109 Å²	109	32.5 Å²	32.5	47%	0.474	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	55	44.6	174.7	-50.9	-170.5	177.6	87.4	0	112.5	E51 L52 I100 R101 N106	E51-K104 VanDerWaalsContact O-CD 3.24Å; E51-K104 WeakPolarHBondContact O-CD 3.44Å; E51-K104 WeakPolarHBondContact O-CE 3.24Å; E51-K104 WeakPolarHBondContact O-CG 3.46Å; L52-K104 HydrophobicContact CD2-CG 4.33Å; L52-K104 CarbonylContact O-C 3.54Å; L52-K104 WeakPolarHBondContact O-CA 3.47Å; I100-K104 PolarHBondContact O-N 3.12Å; R101-K104 PolarHBondContact O-N 3.13Å; R101-K104 VanDerWaalsContact O-N 3.15Å; K104-N106 PolarHBondContact O-N 3.39Å
105	F	96.9	Very high	97.9	Very high	26 Å²	26	33 Å²	33	11%	0.114	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.3	22.8	177.8	-77.4	-110.6	0	0	0	114.2	L52 E54 R59 A62 I100 R101 R103	L52-F105 HydrophobicContact CB-CD2 4.25Å; L52-F105 HydrophobicContact CB-CE2 4.48Å; L52-F105 WeakPolarHBondContact O-CD2 3.38Å; L52-F105 PolarHBondContact O-N 3.02Å; E54-F105 HydrophobicContact CB-CD2 3.87Å; E54-F105 HydrophobicContact CB-CE1 4.25Å; E54-F105 HydrophobicContact CB-CE2 3.29Å; E54-F105 HydrophobicContact CB-CZ 3.53Å; E54-F105 HydrophobicContact CG-CD2 4.47Å; E54-F105 HydrophobicContact CG-CE1 3.96Å; E54-F105 HydrophobicContact CG-CE2 3.5Å; E54-F105 VanDerWaalsContact CG-CE2 3.5Å; E54-F105 HydrophobicContact CG-CZ 3.2Å; E54-F105 WeakPolarHBondContact OE2-CE2 3.36Å; R59-F105 HydrophobicContact CG-CE1 4.33Å; R59-F105 HydrophobicContact CG-CZ 4.48Å; A62-F105 HydrophobicContact CB-CD1 4.41Å; I100-F105 HydrophobicContact CG2-CB 4.28Å; I100-F105 HydrophobicContact CG2-CD1 3.65Å; I100-F105 HydrophobicContact CG2-CD2 4.02Å; I100-F105 HydrophobicContact CG2-CE1 3.79Å; I100-F105 HydrophobicContact CG2-CE2 4.13Å; I100-F105 HydrophobicContact CG2-CG 3.75Å; I100-F105 HydrophobicContact CG2-CZ 4Å; I100-F105 PolarHBondContact O-N 3.24Å; R101-F105 HydrophobicContact CG-CE2 3.78Å; R101-F105 HydrophobicContact CG-CZ 4.21Å; R103-F105 VanDerWaalsContact C-N 3.29Å; R103-F105 PolarHBondContact O-N 3.34Å
106	N	97.9	Very high	97.9	Very high	72 Å²	72	33.6 Å²	33.6	39%	0.385	16%	0.162	S	C	.	.			trans	-93.8	105	169.7	-174.8	-71.4	0	0	0	109.5	R103 K104 G108 R109 A110	R103-N106 WeakPolarHBondContact O-CB 3.15Å; R103-N106 PolarHBondContact O-N 2.97Å; K104-N106 PolarHBondContact O-N 3.39Å; N106-G108 PolarHBondContact O-N 3.31Å; N106-G108 PolarHBondContact OD1-N 3.44Å; N106-R109 HydrophobicContact CB-CB 4.16Å; N106-R109 HydrophobicContact CB-CG 4.4Å; N106-R109 PolarHBondContact O-N 2.86Å; N106-R109 WeakPolarHBondContact OD1-CB 3.38Å; N106-R109 WeakPolarHBondContact OD1-CG 3.29Å; N106-R109 PolarHBondContact OD1-N 3.32Å; N106-A110 WeakPolarHBondContact O-CB 3.14Å; N106-A110 PolarHBondContact O-N 2.92Å
107	V	98.1	Very high	97.9	Very high	14 Å²	14	33.8 Å²	33.8	9%	0.085	16%	0.162	C	C	.	.	H	α-helix	trans	-59.1	-44.7	-174.5	177.7	0	0	0	0	112.4	A62 E65 L66 M69 R109 A110 Y111	A62-V107 HydrophobicContact CB-CG2 4.36Å; E65-V107 HydrophobicContact CB-CG1 4.06Å; E65-V107 HydrophobicContact CB-CG2 4.11Å; E65-V107 WeakPolarHBondContact OE2-CG2 3.36Å; L66-V107 HydrophobicContact CB-CG1 4.04Å; L66-V107 HydrophobicContact CD1-CG1 4.31Å; M69-V107 HydrophobicContact CE-CG1 3.83Å; M69-V107 HydrophobicContact SD-CG1 4.28Å; V107-R109 PolarHBondContact O-N 3.04Å; V107-A110 WeakPolarHBondContact O-CB 3.5Å; V107-A110 PolarHBondContact O-N 2.75Å; V107-A110 VanDerWaalsContact O-N 3.12Å; V107-Y111 PolarHBondContact O-N 3.22Å
108	G	98.3	Very high	97.9	Very high	30 Å²	30	32.9 Å²	32.9	31%	0.309	16%	0.158	S	C	.	.	H	α-helix	trans	-60.1	-44.9	177.9	0	0	0	0	0	112.7	N106 A110 Y111 E112	N106-G108 PolarHBondContact O-N 3.31Å; N106-G108 PolarHBondContact OD1-N 3.44Å; G108-A110 VanDerWaalsContact C-N 3.33Å; G108-A110 PolarHBondContact O-N 3.43Å; G108-Y111 PolarHBondContact O-N 2.93Å; G108-E112 PolarHBondContact O-N 3Å
109	R	98.1	Very high	97.9	Very high	158 Å²	158	33.9 Å²	33.9	60%	0.596	17%	0.165	S	C	*	.	H	α-helix	trans	-68.3	-32.3	175.4	-71	179.3	175.3	172	-0.6	112.7	R103 N106 V107 E112 L113	R103-R109 HydrophobicContact CB-CB 3.98Å; R103-R109 HydrophobicContact CG-CB 4.15Å; R103-R109 WeakPolarHBondContact CG-O 3.34Å; N106-R109 HydrophobicContact CB-CB 4.16Å; N106-R109 HydrophobicContact CB-CG 4.4Å; N106-R109 PolarHBondContact O-N 2.86Å; N106-R109 WeakPolarHBondContact OD1-CB 3.38Å; N106-R109 WeakPolarHBondContact OD1-CG 3.29Å; N106-R109 PolarHBondContact OD1-N 3.32Å; V107-R109 PolarHBondContact O-N 3.04Å; R109-E112 PolarHBondContact O-N 3.44Å; R109-L113 PolarHBondContact O-N 3.13Å; R109-L113 VanDerWaalsContact O-N 3.09Å
110	A	98.4	Very high	97.8	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-64.7	-41.3	174	0	0	0	0	0	111	L66 F99 I100 R103 N106 V107 G108 L113 L114	L66-A110 HydrophobicContact CD1-CB 4.41Å; L66-A110 HydrophobicContact CD2-CB 4.21Å; F99-A110 HydrophobicContact CB-CB 4.28Å; I100-A110 HydrophobicContact CG1-CB 4.24Å; R103-A110 HydrophobicContact CB-CB 4.16Å; R103-A110 HydrophobicContact CG-CB 4.49Å; N106-A110 WeakPolarHBondContact O-CB 3.14Å; N106-A110 PolarHBondContact O-N 2.92Å; V107-A110 WeakPolarHBondContact O-CB 3.5Å; V107-A110 PolarHBondContact O-N 2.75Å; V107-A110 VanDerWaalsContact O-N 3.12Å; G108-A110 VanDerWaalsContact C-N 3.33Å; G108-A110 PolarHBondContact O-N 3.43Å; A110-L113 WeakPolarHBondContact O-CB 3.38Å; A110-L113 PolarHBondContact O-N 3.43Å; A110-L114 PolarHBondContact O-N 3.1Å
111	Y	98.5	Very high	97.7	Very high	5 Å²	5	35.5 Å²	35.5	2%	0.02	17%	0.172	C	C	.	.	H	α-helix	trans	-62.7	-44.3	172.9	178.2	-112.4	0	0	0	112.2	L66 M69 V70 Q73 A81 V84 V107 G108 L113 L114 R115	L66-Y111 HydrophobicContact CD1-CD2 4.38Å; M69-Y111 HydrophobicContact CG-CD1 4.24Å; M69-Y111 HydrophobicContact CG-CD2 4.41Å; M69-Y111 HydrophobicContact CG-CG 4.06Å; M69-Y111 VanDerWaalsContact SD-CB 3.56Å; M69-Y111 HydrophobicContact SD-CD1 3.99Å; M69-Y111 HydrophobicContact SD-CG 3.82Å; V70-Y111 HydrophobicContact CB-CE2 4.44Å; V70-Y111 HydrophobicContact CG2-CD2 3.79Å; V70-Y111 HydrophobicContact CG2-CE2 3.86Å; Q73-Y111 HydrophobicContact CB-CE1 4.06Å; Q73-Y111 HydrophobicContact CB-CE2 4.45Å; Q73-Y111 WeakPolarHBondContact CB-OH 3.4Å; Q73-Y111 HydrophobicContact CG-CD1 4.43Å; Q73-Y111 HydrophobicContact CG-CE1 3.62Å; A81-Y111 WeakPolarHBondContact CB-OH 3.47Å; V84-Y111 HydrophobicContact CG1-CE2 4.37Å; V107-Y111 PolarHBondContact O-N 3.22Å; G108-Y111 PolarHBondContact O-N 2.93Å; Y111-L113 VanDerWaalsContact C-N 3.29Å; Y111-L113 PolarHBondContact O-N 3.43Å; Y111-L114 WeakPolarHBondContact O-CA 3.33Å; Y111-L114 WeakPolarHBondContact O-CB 3.31Å; Y111-L114 PolarHBondContact O-N 3.43Å; Y111-R115 HydrophobicContact CD1-CG 4.39Å; Y111-R115 VanDerWaalsContact CE1-CD 3.44Å; Y111-R115 HydrophobicContact CE1-CG 3.94Å; Y111-R115 HydrophobicContact CE2-CG 4.15Å; Y111-R115 WeakPolarHBondContact O-CG 3.29Å; Y111-R115 PolarHBondContact O-N 2.95Å; Y111-R115 PolarHBondContact OH-NH1 3.26Å
112	E	98.3	Very high	97.6	Very high	114 Å²	114	39.2 Å²	39.2	53%	0.533	19%	0.191	S	C	.	.	H	α-helix	trans	-60.8	-37.3	175	-69.4	-53.3	133.4	0	0	113	G108 R109 L114 R115 G116	G108-E112 PolarHBondContact O-N 3Å; R109-E112 PolarHBondContact O-N 3.44Å; E112-L114 VanDerWaalsContact C-N 3.33Å; E112-R115 PolarHBondContact O-N 3.17Å; E112-G116 PolarHBondContact O-N 3.18Å
113	L	98.3	Very high	97.6	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.005	21%	0.208	C	C	.	.	H	α-helix	trans	-66	-37.3	172.6	176.4	58.9	0	0	0	112	F99 A102 R103 R109 A110 Y111 G116 Y117 D229 P232	F99-L113 HydrophobicContact CD1-CB 4.26Å; F99-L113 HydrophobicContact CD1-CD2 3.95Å; F99-L113 HydrophobicContact CD1-CG 3.74Å; F99-L113 HydrophobicContact CE1-CG 4.21Å; A102-L113 HydrophobicContact CB-CD2 3.68Å; R103-L113 HydrophobicContact CG-CB 4.13Å; R103-L113 HydrophobicContact CG-CD2 3.82Å; R109-L113 PolarHBondContact O-N 3.13Å; R109-L113 VanDerWaalsContact O-N 3.09Å; A110-L113 WeakPolarHBondContact O-CB 3.38Å; A110-L113 PolarHBondContact O-N 3.43Å; Y111-L113 VanDerWaalsContact C-N 3.29Å; Y111-L113 PolarHBondContact O-N 3.43Å; L113-G116 PolarHBondContact O-N 3.31Å; L113-Y117 WeakPolarHBondContact O-CB 3.48Å; L113-Y117 PolarHBondContact O-N 3.48Å; L113-D229 HydrophobicContact CD1-CB 4.38Å; L113-D229 WeakPolarHBondContact CD1-O 3.48Å; L113-P232 HydrophobicContact CD2-CB 4.17Å
114	L	98.3	Very high	97.5	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-66.5	-40	176.2	-170.2	62.7	0	0	0	111.7	V70 V84 M88 F95 F96 F99 A110 Y111 E112 Y117 V118	V70-L114 HydrophobicContact CG2-CD2 3.67Å; V84-L114 HydrophobicContact CG1-CD2 3.93Å; V84-L114 HydrophobicContact CG1-CG 3.94Å; M88-L114 HydrophobicContact CE-CD1 4.49Å; M88-L114 HydrophobicContact CG-CD1 4.18Å; M88-L114 HydrophobicContact CG-CD2 4.17Å; M88-L114 HydrophobicContact CG-CG 4.38Å; M88-L114 HydrophobicContact SD-CD1 3.72Å; F95-L114 HydrophobicContact CE1-CD1 4.06Å; F96-L114 HydrophobicContact CE1-CD2 4.29Å; F99-L114 HydrophobicContact CD1-CB 3.9Å; F99-L114 HydrophobicContact CD1-CD1 3.82Å; F99-L114 HydrophobicContact CD1-CG 4.49Å; F99-L114 HydrophobicContact CD2-CD1 4.1Å; F99-L114 HydrophobicContact CE1-CB 4.13Å; F99-L114 HydrophobicContact CE1-CD1 3.47Å; F99-L114 VanDerWaalsContact CE1-CD1 3.47Å; F99-L114 HydrophobicContact CE1-CG 4.42Å; F99-L114 HydrophobicContact CE2-CD1 3.77Å; F99-L114 HydrophobicContact CG-CD1 4.15Å; F99-L114 HydrophobicContact CZ-CD1 3.44Å; F99-L114 VanDerWaalsContact CZ-CD1 3.44Å; A110-L114 PolarHBondContact O-N 3.1Å; Y111-L114 WeakPolarHBondContact O-CA 3.33Å; Y111-L114 WeakPolarHBondContact O-CB 3.31Å; Y111-L114 PolarHBondContact O-N 3.43Å; E112-L114 VanDerWaalsContact C-N 3.33Å; L114-Y117 PolarHBondContact O-N 3.18Å; L114-V118 PolarHBondContact O-N 3.06Å; L114-V118 VanDerWaalsContact O-N 3.09Å
115	R	98.1	Very high	97.5	Very high	41 Å²	41	39.5 Å²	39.5	16%	0.155	20%	0.197	C	C	.	.	H	α-helix	trans	-58.4	-48.1	169.8	-66.9	175.9	70.1	88.6	4.1	111	E78 L80 V84 Y111 E112 Y117 V118 N119	E78-R115 VanDerWaalsContact CD-NH2 3.25Å; E78-R115 IonicContact OE1-NH2 3.64Å; E78-R115 PolarHBondContact OE1-NH2 3.39Å; E78-R115 IonicContact OE2-CZ 2.7Å; E78-R115 IonicContact OE2-NH1 3.93Å; E78-R115 PolarHBondContact OE2-NH1 2.99Å; E78-R115 IonicContact OE2-NH2 3.92Å; E78-R115 PolarHBondContact OE2-NH2 3.41Å; L80-R115 HydrophobicContact CD2-CB 4.12Å; V84-R115 HydrophobicContact CG2-CG 4.3Å; Y111-R115 HydrophobicContact CD1-CG 4.39Å; Y111-R115 VanDerWaalsContact CE1-CD 3.44Å; Y111-R115 HydrophobicContact CE1-CG 3.94Å; Y111-R115 HydrophobicContact CE2-CG 4.15Å; Y111-R115 WeakPolarHBondContact O-CG 3.29Å; Y111-R115 PolarHBondContact O-N 2.95Å; Y111-R115 PolarHBondContact OH-NH1 3.26Å; E112-R115 PolarHBondContact O-N 3.17Å; R115-Y117 VanDerWaalsContact C-N 3.34Å; R115-Y117 PolarHBondContact O-N 3.12Å; R115-V118 PolarHBondContact O-N 3.13Å; R115-N119 VanDerWaalsContact O-CB 3.23Å; R115-N119 WeakPolarHBondContact O-CB 3.49Å; R115-N119 PolarHBondContact O-N 3.38Å
116	G	98	Very high	97.3	Very high	19 Å²	19	41.5 Å²	41.5	20%	0.196	21%	0.207	C	C	.	.	H	α-helix	trans	-59.7	-41	176.7	0	0	0	0	0	113.4	E112 L113 N119 F120 D229	E112-G116 PolarHBondContact O-N 3.18Å; L113-G116 PolarHBondContact O-N 3.31Å; G116-N119 PolarHBondContact O-N 3Å; G116-F120 WeakPolarHBondContact O-CB 3.43Å; G116-F120 PolarHBondContact O-N 3.11Å; G116-D229 CarbonylContact C-O 3.59Å
117	Y	97.9	Very high	97.2	Very high	11 Å²	11	38.1 Å²	38.1	4%	0.043	19%	0.189	C	C	.	.	H	α-helix	trans	-62.7	-41.7	176.6	171.6	-83.4	0	0	0	113.4	M88 F95 F99 L113 L114 R115 R121 E185 S230 F231	M88-Y117 HydrophobicContact CE-CD1 4.35Å; M88-Y117 HydrophobicContact CE-CE1 4.03Å; F95-Y117 HydrophobicContact CZ-CE1 4.16Å; F99-Y117 HydrophobicContact CE1-CD2 4.22Å; F99-Y117 AromaticContact CE1-CG 3.99Å; F99-Y117 HydrophobicContact CE1-CG 3.99Å; F99-Y117 HydrophobicContact CZ-CD1 4.22Å; F99-Y117 AromaticContact CZ-CD2 3.92Å; F99-Y117 HydrophobicContact CZ-CD2 3.92Å; F99-Y117 HydrophobicContact CZ-CE2 4.32Å; F99-Y117 AromaticContact CZ-CG 3.87Å; F99-Y117 HydrophobicContact CZ-CG 3.87Å; L113-Y117 WeakPolarHBondContact O-CB 3.48Å; L113-Y117 PolarHBondContact O-N 3.48Å; L114-Y117 PolarHBondContact O-N 3.18Å; R115-Y117 VanDerWaalsContact C-N 3.34Å; R115-Y117 PolarHBondContact O-N 3.12Å; Y117-R121 VanDerWaalsContact CD2-NH1 3.29Å; Y117-R121 VanDerWaalsContact CE2-CZ 3.42Å; Y117-R121 VanDerWaalsContact CZ-NH2 3.29Å; Y117-R121 PolarHBondContact O-NH1 2.89Å; Y117-R121 PolarHBondContact OH-NH2 2.98Å; Y117-E185 VanDerWaalsContact CE2-OE1 3.25Å; Y117-E185 WeakPolarHBondContact CE2-OE1 3.26Å; Y117-E185 PolarHBondContact OH-OE1 3.23Å; Y117-S230 VanDerWaalsContact CA-O 3.25Å; Y117-S230 WeakPolarHBondContact CA-O 3.38Å; Y117-S230 WeakPolarHBondContact CB-O 3.49Å; Y117-S230 WeakPolarHBondContact CD2-O 3.48Å; Y117-F231 HydrophobicContact CE2-CD1 4.38Å; Y117-F231 HydrophobicContact CE2-CE1 4.48Å
118	V	97.7	Very high	96.9	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-73	-43.3	175.9	170.7	0	0	0	0	110.8	L80 A83 V84 M88 L114 R115 F120 R121 L122	L80-V118 HydrophobicContact CD1-CG1 4.09Å; A83-V118 HydrophobicContact CB-CG1 4.28Å; V84-V118 HydrophobicContact CB-CG2 4.41Å; V84-V118 HydrophobicContact CG2-CB 3.78Å; V84-V118 HydrophobicContact CG2-CG1 4.08Å; V84-V118 HydrophobicContact CG2-CG2 3.81Å; M88-V118 HydrophobicContact CE-CG2 3.9Å; L114-V118 PolarHBondContact O-N 3.06Å; L114-V118 VanDerWaalsContact O-N 3.09Å; R115-V118 PolarHBondContact O-N 3.13Å; V118-F120 VanDerWaalsContact C-N 3.3Å; V118-F120 PolarHBondContact O-N 3.34Å; V118-R121 WeakPolarHBondContact O-CB 3.48Å; V118-R121 PolarHBondContact O-N 3.23Å; V118-R121 VanDerWaalsContact O-N 3.13Å; V118-L122 HydrophobicContact CG1-CD1 4.1Å; V118-L122 HydrophobicContact CG1-CG 4.44Å; V118-L122 WeakPolarHBondContact O-CG 3.22Å; V118-L122 PolarHBondContact O-N 2.65Å; V118-L122 VanDerWaalsContact O-N 3.08Å
119	N	97.3	Very high	96.2	Very high	52 Å²	52	44.5 Å²	44.5	28%	0.278	21%	0.213	S	C	.	.	H	α-helix	trans	-60.2	-38.5	177.6	179.7	67.4	0	0	0	112.3	L80 R115 G116 R121 L122 Q123	L80-N119 HydrophobicContact CD1-CB 4.01Å; L80-N119 HydrophobicContact CD2-CB 4.11Å; R115-N119 VanDerWaalsContact O-CB 3.23Å; R115-N119 WeakPolarHBondContact O-CB 3.49Å; R115-N119 PolarHBondContact O-N 3.38Å; G116-N119 PolarHBondContact O-N 3Å; N119-R121 VanDerWaalsContact C-N 3.3Å; N119-R121 PolarHBondContact O-N 3.3Å; N119-L122 PolarHBondContact O-N 3.01Å; N119-L122 VanDerWaalsContact O-N 3.15Å; N119-Q123 VanDerWaalsContact ND2-CD 3.28Å; N119-Q123 PolarHBondContact ND2-NE2 2.64Å; N119-Q123 WeakPolarHBondContact O-CB 3.34Å; N119-Q123 WeakPolarHBondContact O-CG 3.26Å; N119-Q123 PolarHBondContact O-N 2.67Å; N119-Q123 PolarHBondContact OD1-NE2 3.15Å
120	F	97.3	Very high	95.2	Very high	1 Å²	1	41.3 Å²	41.3	0%	0.004	22%	0.215	C	C	.	.	H	α-helix	trans	-57.1	-43.4	174.6	-177.5	-100.6	0	0	0	112.2	G116 V118 L122 Q123 Y124 L127 F128 D225 M226 S230 F231	G116-F120 WeakPolarHBondContact O-CB 3.43Å; G116-F120 PolarHBondContact O-N 3.11Å; V118-F120 VanDerWaalsContact C-N 3.3Å; V118-F120 PolarHBondContact O-N 3.34Å; F120-L122 VanDerWaalsContact C-N 3.34Å; F120-Q123 PolarHBondContact O-N 2.64Å; F120-Y124 AromaticContact CD2-CD2 3.46Å; F120-Y124 HydrophobicContact CD2-CD2 3.46Å; F120-Y124 VanDerWaalsContact CD2-CD2 3.46Å; F120-Y124 AromaticContact CD2-CE2 3.6Å; F120-Y124 HydrophobicContact CD2-CE2 3.6Å; F120-Y124 HydrophobicContact CE1-CD2 4.44Å; F120-Y124 AromaticContact CE2-CD2 3.35Å; F120-Y124 HydrophobicContact CE2-CD2 3.35Å; F120-Y124 AromaticContact CE2-CE2 3.53Å; F120-Y124 HydrophobicContact CE2-CE2 3.53Å; F120-Y124 HydrophobicContact CE2-CG 4.48Å; F120-Y124 HydrophobicContact CG-CD2 4.08Å; F120-Y124 AromaticContact CZ-CD2 3.88Å; F120-Y124 HydrophobicContact CZ-CD2 3.88Å; F120-Y124 HydrophobicContact CZ-CE2 4.44Å; F120-Y124 WeakPolarHBondContact O-CD2 3.24Å; F120-Y124 PolarHBondContact O-N 2.66Å; F120-L127 HydrophobicContact CE1-CD1 4.14Å; F120-L127 HydrophobicContact CZ-CD1 3.85Å; F120-F128 AromaticContact CD1-CE2 3.67Å; F120-F128 HydrophobicContact CD1-CE2 3.67Å; F120-F128 AromaticContact CD1-CZ 3.63Å; F120-F128 HydrophobicContact CD1-CZ 3.63Å; F120-F128 AromaticContact CE1-CE2 3.66Å; F120-F128 HydrophobicContact CE1-CE2 3.66Å; F120-F128 AromaticContact CE1-CZ 3.54Å; F120-F128 HydrophobicContact CE1-CZ 3.54Å; F120-D225 HydrophobicContact CD2-CB 4.33Å; F120-D225 HydrophobicContact CE2-CB 4.24Å; F120-M226 HydrophobicContact CE2-CB 4.01Å; F120-M226 HydrophobicContact CZ-CB 3.85Å; F120-M226 HydrophobicContact CZ-CG 4.45Å; F120-S230 WeakPolarHBondContact CB-OG 3.28Å; F120-S230 VanDerWaalsContact CD2-OG 3.25Å; F120-S230 WeakPolarHBondContact CD2-OG 3.5Å; F120-F231 HydrophobicContact CD1-CE2 4.16Å; F120-F231 AromaticContact CE1-CE2 3.93Å; F120-F231 HydrophobicContact CE1-CE2 3.93Å; F120-F231 HydrophobicContact CE1-CZ 4.4Å
121	R	96.2	Very high	94.5	Very high	34 Å²	34	44.2 Å²	44.2	13%	0.128	23%	0.23	C	C	.	.	H	α-helix	trans	-68	-33.2	177.2	-75.2	162.9	168.7	73.4	2.2	113.1	Y117 V118 N119 F128 E185	Y117-R121 VanDerWaalsContact CD2-NH1 3.29Å; Y117-R121 VanDerWaalsContact CE2-CZ 3.42Å; Y117-R121 VanDerWaalsContact CZ-NH2 3.29Å; Y117-R121 PolarHBondContact O-NH1 2.89Å; Y117-R121 PolarHBondContact OH-NH2 2.98Å; V118-R121 WeakPolarHBondContact O-CB 3.48Å; V118-R121 PolarHBondContact O-N 3.23Å; V118-R121 VanDerWaalsContact O-N 3.13Å; N119-R121 VanDerWaalsContact C-N 3.3Å; N119-R121 PolarHBondContact O-N 3.3Å; R121-F128 HydrophobicContact CB-CD2 4.02Å; R121-F128 HydrophobicContact CB-CE2 4.09Å; R121-F128 HydrophobicContact CG-CD1 4.03Å; R121-F128 HydrophobicContact CG-CD2 3.6Å; R121-F128 HydrophobicContact CG-CE1 3.85Å; R121-F128 HydrophobicContact CG-CE2 3.41Å; R121-F128 VanDerWaalsContact CG-CE2 3.41Å; R121-F128 HydrophobicContact CG-CG 3.9Å; R121-F128 HydrophobicContact CG-CZ 3.53Å; R121-E185 IonicContact CZ-OE1 2.75Å; R121-E185 IonicContact NH2-OE1 3.85Å; R121-E185 PolarHBondContact NH2-OE1 3.07Å
122	L	95.7	Very high	94.1	Very high	78 Å²	78	46.3 Å²	46.3	41%	0.408	25%	0.246	S	C	.	.	H	α-helix	trans	-72.6	-35.9	174.8	-67.4	173.8	0	0	0	112.3	L80 A83 R87 V118 N119 F120	L80-L122 HydrophobicContact CD1-CD1 3.92Å; A83-L122 HydrophobicContact CB-CD1 4.29Å; R87-L122 VanDerWaalsContact NH2-CD2 3.33Å; V118-L122 HydrophobicContact CG1-CD1 4.1Å; V118-L122 HydrophobicContact CG1-CG 4.44Å; V118-L122 WeakPolarHBondContact O-CG 3.22Å; V118-L122 PolarHBondContact O-N 2.65Å; V118-L122 VanDerWaalsContact O-N 3.08Å; N119-L122 PolarHBondContact O-N 3.01Å; N119-L122 VanDerWaalsContact O-N 3.15Å; F120-L122 VanDerWaalsContact C-N 3.34Å
123	Q	96	Very high	93.8	Very high	98 Å²	98	44.9 Å²	44.9	46%	0.458	25%	0.246	S	C	.	.	H	α-helix	trans	-77.2	-30	-179.5	-73.1	-175.5	-2.9	0	0	113	N119 F120 P125	N119-Q123 VanDerWaalsContact ND2-CD 3.28Å; N119-Q123 PolarHBondContact ND2-NE2 2.64Å; N119-Q123 WeakPolarHBondContact O-CB 3.34Å; N119-Q123 WeakPolarHBondContact O-CG 3.26Å; N119-Q123 PolarHBondContact O-N 2.67Å; N119-Q123 PolarHBondContact OD1-NE2 3.15Å; F120-Q123 PolarHBondContact O-N 2.64Å; Q123-P125 WeakPolarHBondContact O-CD 3.36Å
124	Y	96.3	Very high	93.5	Very high	27 Å²	27	51.3 Å²	51.3	11%	0.106	28%	0.276	C	S	.	.			trans	-125.5	61.4	-176.4	-53.3	-61.1	0	0	0	112.2	F120 E126 L127 F128 K222 D225	F120-Y124 AromaticContact CD2-CD2 3.46Å; F120-Y124 HydrophobicContact CD2-CD2 3.46Å; F120-Y124 VanDerWaalsContact CD2-CD2 3.46Å; F120-Y124 AromaticContact CD2-CE2 3.6Å; F120-Y124 HydrophobicContact CD2-CE2 3.6Å; F120-Y124 HydrophobicContact CE1-CD2 4.44Å; F120-Y124 AromaticContact CE2-CD2 3.35Å; F120-Y124 HydrophobicContact CE2-CD2 3.35Å; F120-Y124 AromaticContact CE2-CE2 3.53Å; F120-Y124 HydrophobicContact CE2-CE2 3.53Å; F120-Y124 HydrophobicContact CE2-CG 4.48Å; F120-Y124 HydrophobicContact CG-CD2 4.08Å; F120-Y124 AromaticContact CZ-CD2 3.88Å; F120-Y124 HydrophobicContact CZ-CD2 3.88Å; F120-Y124 HydrophobicContact CZ-CE2 4.44Å; F120-Y124 WeakPolarHBondContact O-CD2 3.24Å; F120-Y124 PolarHBondContact O-N 2.66Å; Y124-E126 VanDerWaalsContact CA-OE2 3.3Å; Y124-E126 WeakPolarHBondContact CA-OE2 3.26Å; Y124-E126 PolarHBondContact O-N 2.63Å; Y124-E126 VanDerWaalsContact O-N 3.17Å; Y124-L127 HydrophobicContact CG-CD1 4.36Å; Y124-L127 PolarHBondContact O-N 3.22Å; Y124-F128 WeakPolarHBondContact O-CD2 3.5Å; Y124-K222 HydrophobicContact CD1-CD 3.74Å; Y124-K222 HydrophobicContact CD1-CG 3.71Å; Y124-K222 HydrophobicContact CE1-CD 3.95Å; Y124-K222 HydrophobicContact CE1-CG 3.41Å; Y124-K222 VanDerWaalsContact CE1-CG 3.41Å; Y124-K222 HydrophobicContact CE2-CG 4.46Å; Y124-K222 HydrophobicContact CG-CD 4.38Å; Y124-K222 HydrophobicContact CG-CG 4.36Å; Y124-D225 HydrophobicContact CE2-CB 4.27Å; Y124-D225 PolarHBondContact OH-OD2 3.37Å
125	P	95.8	Very high	93.3	Very high	49 Å²	49	53.3 Å²	53.3	32%	0.318	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-57.8	-29.4	-179.2	24.6	-34	0	0	0	112.5	Q123 L127 F128 D129	Q123-P125 WeakPolarHBondContact O-CD 3.36Å; P125-L127 PolarHBondContact O-N 3.05Å; P125-L127 VanDerWaalsContact O-N 3.11Å; P125-F128 PolarHBondContact O-N 3.49Å; P125-D129 VanDerWaalsContact CB-OD2 3.23Å; P125-D129 WeakPolarHBondContact CB-OD2 3.42Å; P125-D129 WeakPolarHBondContact O-CB 3.49Å; P125-D129 PolarHBondContact O-N 2.91Å
126	E	93.4	Very high	93.2	Very high	68 Å²	68	51.4 Å²	51.4	32%	0.318	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-61	-20.9	177.4	73.8	-83.4	-162.7	0	0	113.6	Y124 Q178 K222	Y124-E126 VanDerWaalsContact CA-OE2 3.3Å; Y124-E126 WeakPolarHBondContact CA-OE2 3.26Å; Y124-E126 PolarHBondContact O-N 2.63Å; Y124-E126 VanDerWaalsContact O-N 3.17Å; E126-Q178 PolarHBondContact O-NE2 2.87Å; E126-K222 IonicContact OE1-NZ 3.06Å; E126-K222 PolarHBondContact OE1-NZ 3.49Å
127	L	94.6	Very high	93.1	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-86.3	-8.5	177.4	-57	-177.7	0	0	0	113	F120 Y124 P125 D174 L177 Q178	F120-L127 HydrophobicContact CE1-CD1 4.14Å; F120-L127 HydrophobicContact CZ-CD1 3.85Å; Y124-L127 HydrophobicContact CG-CD1 4.36Å; Y124-L127 PolarHBondContact O-N 3.22Å; P125-L127 PolarHBondContact O-N 3.05Å; P125-L127 VanDerWaalsContact O-N 3.11Å; L127-D174 HydrophobicContact CD2-CB 3.97Å; L127-L177 HydrophobicContact CD1-CB 4.25Å; L127-L177 HydrophobicContact CD1-CD1 4.28Å; L127-L177 HydrophobicContact CD2-CB 3.96Å; L127-Q178 HydrophobicContact CB-CG 4.3Å; L127-Q178 HydrophobicContact CD2-CG 4.04Å
128	F	92.2	Very high	93.1	Very high	44 Å²	44	54 Å²	54	19%	0.193	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-135.2	-37.8	-170.3	-59	-76.4	0	0	0	114.9	F120 R121 Y124 P125 S130 C181	F120-F128 AromaticContact CD1-CE2 3.67Å; F120-F128 HydrophobicContact CD1-CE2 3.67Å; F120-F128 AromaticContact CD1-CZ 3.63Å; F120-F128 HydrophobicContact CD1-CZ 3.63Å; F120-F128 AromaticContact CE1-CE2 3.66Å; F120-F128 HydrophobicContact CE1-CE2 3.66Å; F120-F128 AromaticContact CE1-CZ 3.54Å; F120-F128 HydrophobicContact CE1-CZ 3.54Å; R121-F128 HydrophobicContact CB-CD2 4.02Å; R121-F128 HydrophobicContact CB-CE2 4.09Å; R121-F128 HydrophobicContact CG-CD1 4.03Å; R121-F128 HydrophobicContact CG-CD2 3.6Å; R121-F128 HydrophobicContact CG-CE1 3.85Å; R121-F128 HydrophobicContact CG-CE2 3.41Å; R121-F128 VanDerWaalsContact CG-CE2 3.41Å; R121-F128 HydrophobicContact CG-CG 3.9Å; R121-F128 HydrophobicContact CG-CZ 3.53Å; Y124-F128 WeakPolarHBondContact O-CD2 3.5Å; P125-F128 PolarHBondContact O-N 3.49Å; F128-S130 PolarHBondContact O-N 2.8Å; F128-C181 HydrophobicContact CE1-CB 4.17Å
129	D	84.6	Confident	93.1	Very high	135 Å²	135	54.5 Å²	54.5	72%	0.722	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-30.1	-169.2	-72.7	-5.7	0	0	0	113.2	P125	P125-D129 VanDerWaalsContact CB-OD2 3.23Å; P125-D129 WeakPolarHBondContact CB-OD2 3.42Å; P125-D129 WeakPolarHBondContact O-CB 3.49Å; P125-D129 PolarHBondContact O-N 2.91Å
130	S	76.1	Confident	93.1	Very high	91 Å²	91	52 Å²	52	64%	0.636	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.3	24.9	-179.7	57.3	0	0	0	0	113.2	F128 S132	F128-S130 PolarHBondContact O-N 2.8Å; S130-S132 PolarHBondContact O-N 3.02Å
131	L	83.7	Confident	93.1	Very high	60 Å²	60	53.7 Å²	53.7	31%	0.314	30%	0.295	S	S	.	.			trans	-67.3	99.7	-176.5	-161	78.4	0	0	0	111	P133 V136 Q178	L131-P133 WeakPolarHBondContact O-CD 3.38Å; L131-V136 HydrophobicContact CD1-CG2 3.46Å; L131-V136 VanDerWaalsContact CD1-CG2 3.46Å; L131-V136 HydrophobicContact CD2-CG2 4.44Å; L131-V136 HydrophobicContact CG-CG2 3.77Å; L131-Q178 HydrophobicContact CD1-CB 3.69Å; L131-Q178 HydrophobicContact CD1-CG 3.77Å
132	S	90.5	Very high	93.1	Very high	50 Å²	50	54.5 Å²	54.5	35%	0.35	31%	0.309	S	S	.	.			trans	-83.5	119.5	169.7	171.7	0	0	0	0	109.4	S130 E134 A135 V136	S130-S132 PolarHBondContact O-N 3.02Å; S132-E134 PolarHBondContact O-N 2.88Å; S132-E134 VanDerWaalsContact O-N 3.13Å; S132-E134 PolarHBondContact OG-N 3.34Å; S132-A135 PolarHBondContact O-N 3.31Å; S132-A135 PolarHBondContact OG-N 3.44Å; S132-V136 WeakPolarHBondContact O-CG2 3.27Å; S132-V136 PolarHBondContact O-N 2.87Å
133	P	91.6	Very high	93.2	Very high	83 Å²	83	51.4 Å²	51.4	54%	0.539	30%	0.296	S	S	.	.	H	α-helix	trans	-55	-31.9	175.2	-26.3	35.1	0	0	0	112.8	L131 R137 F306	L131-P133 WeakPolarHBondContact O-CD 3.38Å; P133-R137 VanDerWaalsContact O-CB 3.28Å; P133-R137 WeakPolarHBondContact O-CB 3.29Å; P133-R137 PolarHBondContact O-N 2.73Å; P133-F306 HydrophobicContact CB-CE1 4.38Å; P133-F306 WeakPolarHBondContact O-CE1 3.41Å
134	E	93.3	Very high	93.3	Very high	136 Å²	136	48.4 Å²	48.4	64%	0.636	28%	0.281	S	S	*	.	H	α-helix	trans	-69	-45.2	176.2	-176.5	175.2	-164.7	0	0	111.9	S132 V136 R137 C138	S132-E134 PolarHBondContact O-N 2.88Å; S132-E134 VanDerWaalsContact O-N 3.13Å; S132-E134 PolarHBondContact OG-N 3.34Å; E134-V136 PolarHBondContact O-N 2.97Å; E134-R137 WeakPolarHBondContact O-CB 3.27Å; E134-R137 PolarHBondContact O-N 3.31Å; E134-C138 PolarHBondContact O-N 3.38Å; E134-C138 PolarHBondContact O-SG 3.36Å; E134-C138 VanDerWaalsContact O-SG 3.35Å
135	A	93.1	Very high	93.3	Very high	42 Å²	42	47.1 Å²	47.1	35%	0.347	28%	0.276	S	S	.	.	H	α-helix	trans	-62.5	-45.1	177.3	0	0	0	0	0	111	S132 R137 C138 T139	S132-A135 PolarHBondContact O-N 3.31Å; S132-A135 PolarHBondContact OG-N 3.44Å; A135-R137 VanDerWaalsContact C-N 3.32Å; A135-R137 PolarHBondContact O-N 3.04Å; A135-C138 WeakPolarHBondContact O-CB 3.4Å; A135-C138 PolarHBondContact O-N 2.62Å; A135-C138 VanDerWaalsContact O-N 3.17Å; A135-T139 PolarHBondContact O-N 2.92Å; A135-T139 VanDerWaalsContact O-N 3.1Å; A135-T139 PolarHBondContact O-OG1 3.45Å; A135-T139 VanDerWaalsContact O-OG1 3.13Å
136	V	96.2	Very high	93.5	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.006	26%	0.261	C	S	.	.	H	α-helix	trans	-61.1	-42	176.3	179.1	0	0	0	0	111.2	L131 S132 E134 C138 T139 I140 A179 F182 F306	L131-V136 HydrophobicContact CD1-CG2 3.46Å; L131-V136 VanDerWaalsContact CD1-CG2 3.46Å; L131-V136 HydrophobicContact CD2-CG2 4.44Å; L131-V136 HydrophobicContact CG-CG2 3.77Å; S132-V136 WeakPolarHBondContact O-CG2 3.27Å; S132-V136 PolarHBondContact O-N 2.87Å; E134-V136 PolarHBondContact O-N 2.97Å; V136-C138 VanDerWaalsContact C-N 3.33Å; V136-C138 PolarHBondContact O-N 3.34Å; V136-T139 PolarHBondContact O-N 3.32Å; V136-I140 HydrophobicContact CG1-CD1 3.79Å; V136-I140 HydrophobicContact CG1-CG1 4.45Å; V136-I140 WeakPolarHBondContact O-CG1 3.46Å; V136-I140 PolarHBondContact O-N 3.34Å; V136-A179 HydrophobicContact CG1-CB 4.44Å; V136-F182 HydrophobicContact CG1-CB 3.73Å; V136-F182 HydrophobicContact CG1-CD1 4.1Å; V136-F182 HydrophobicContact CG1-CD2 4.38Å; V136-F182 HydrophobicContact CG1-CG 3.81Å; V136-F306 HydrophobicContact CB-CZ 4.37Å; V136-F306 HydrophobicContact CG1-CZ 4.04Å
137	R	97.1	Very high	93.7	Very high	30 Å²	30	41.6 Å²	41.6	11%	0.113	25%	0.246	C	C	.	.	H	α-helix	trans	-59.1	-44.4	175.4	-177	177.9	-177.5	138.6	14.9	111.3	P133 E134 A135 T139 I140 E141 A302 F306 G307 R309	P133-R137 VanDerWaalsContact O-CB 3.28Å; P133-R137 WeakPolarHBondContact O-CB 3.29Å; P133-R137 PolarHBondContact O-N 2.73Å; E134-R137 WeakPolarHBondContact O-CB 3.27Å; E134-R137 PolarHBondContact O-N 3.31Å; A135-R137 VanDerWaalsContact C-N 3.32Å; A135-R137 PolarHBondContact O-N 3.04Å; R137-T139 PolarHBondContact O-N 2.74Å; R137-I140 PolarHBondContact O-N 3.39Å; R137-E141 HydrophobicContact CG-CG 4.24Å; R137-E141 WeakPolarHBondContact CG-OE1 3.31Å; R137-E141 IonicContact CZ-OE1 3.95Å; R137-E141 IonicContact NE-OE1 2.93Å; R137-E141 PolarHBondContact NE-OE1 2.87Å; R137-E141 IonicContact NH2-OE1 3.64Å; R137-E141 WeakPolarHBondContact O-CB 3.4Å; R137-E141 VanDerWaalsContact O-CG 3.28Å; R137-E141 WeakPolarHBondContact O-CG 3.45Å; R137-E141 PolarHBondContact O-N 3.09Å; R137-A302 HydrophobicContact CG-CB 4.31Å; R137-F306 HydrophobicContact CB-CD1 4.42Å; R137-F306 HydrophobicContact CB-CD2 4.05Å; R137-F306 HydrophobicContact CB-CE1 4.23Å; R137-F306 HydrophobicContact CB-CE2 3.87Å; R137-F306 HydrophobicContact CB-CG 4.33Å; R137-F306 HydrophobicContact CB-CZ 3.96Å; R137-F306 HydrophobicContact CG-CD2 3.91Å; R137-F306 HydrophobicContact CG-CE2 4.16Å; R137-F306 HydrophobicContact CG-CG 4.26Å; R137-G307 VanDerWaalsContact CZ-O 3.3Å; R137-G307 PolarHBondContact NH1-O 3.06Å; R137-G307 PolarHBondContact NH2-O 2.94Å; R137-R309 VanDerWaalsContact CZ-CG 3.45Å
138	C	96.7	Very high	93.9	Very high	56 Å²	56	41.9 Å²	41.9	38%	0.378	25%	0.247	S	C	.	.	H	α-helix	trans	-59.4	-43.5	176.8	-70.1	0	0	0	0	112.3	E134 A135 V136 E141 A142	E134-C138 PolarHBondContact O-N 3.38Å; E134-C138 PolarHBondContact O-SG 3.36Å; E134-C138 VanDerWaalsContact O-SG 3.35Å; A135-C138 WeakPolarHBondContact O-CB 3.4Å; A135-C138 PolarHBondContact O-N 2.62Å; A135-C138 VanDerWaalsContact O-N 3.17Å; V136-C138 VanDerWaalsContact C-N 3.33Å; V136-C138 PolarHBondContact O-N 3.34Å; C138-E141 PolarHBondContact O-N 3.34Å; C138-A142 WeakPolarHBondContact O-CB 3.33Å; C138-A142 PolarHBondContact O-N 3.22Å
139	T	97.4	Very high	94.1	Very high	9 Å²	9	43.8 Å²	43.8	6%	0.055	27%	0.266	C	S	.	.	H	α-helix	trans	-63.4	-42.2	177.4	-47.9	0	0	0	0	112	A135 V136 R137 A142 G143 Y144 I171 E175 A179	A135-T139 PolarHBondContact O-N 2.92Å; A135-T139 VanDerWaalsContact O-N 3.1Å; A135-T139 PolarHBondContact O-OG1 3.45Å; A135-T139 VanDerWaalsContact O-OG1 3.13Å; V136-T139 PolarHBondContact O-N 3.32Å; R137-T139 PolarHBondContact O-N 2.74Å; T139-A142 WeakPolarHBondContact O-CB 3.39Å; T139-A142 PolarHBondContact O-N 3.47Å; T139-G143 PolarHBondContact O-N 3Å; T139-Y144 VanDerWaalsContact CG2-O 3.25Å; T139-Y144 WeakPolarHBondContact CG2-O 3.19Å; T139-Y144 PolarHBondContact O-N 3.1Å; T139-Y144 VanDerWaalsContact O-N 3.15Å; T139-I171 HydrophobicContact CG2-CG2 3.82Å; T139-E175 HydrophobicContact CG2-CB 4.33Å; T139-A179 HydrophobicContact CG2-CB 4.14Å
140	I	97.8	Very high	94.7	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-69.4	-40.2	177.9	-65.1	171.1	0	0	0	111.2	V136 R137 A142 G143 A179 F182 I183 G298 V301 A302 L305 F306	V136-I140 HydrophobicContact CG1-CD1 3.79Å; V136-I140 HydrophobicContact CG1-CG1 4.45Å; V136-I140 WeakPolarHBondContact O-CG1 3.46Å; V136-I140 PolarHBondContact O-N 3.34Å; R137-I140 PolarHBondContact O-N 3.39Å; I140-A142 PolarHBondContact O-N 3.44Å; I140-G143 WeakPolarHBondContact O-CA 3.49Å; I140-G143 PolarHBondContact O-N 3.01Å; I140-A179 HydrophobicContact CD1-CB 4.32Å; I140-A179 HydrophobicContact CG1-CB 3.81Å; I140-F182 HydrophobicContact CD1-CD1 4.04Å; I140-I183 HydrophobicContact CD1-CD1 3.86Å; I140-I183 HydrophobicContact CD1-CG1 3.75Å; I140-I183 HydrophobicContact CG1-CD1 3.97Å; I140-I183 HydrophobicContact CG1-CG1 4.42Å; I140-G298 WeakPolarHBondContact O-CA 3.41Å; I140-V301 HydrophobicContact CG2-CG1 4.21Å; I140-A302 HydrophobicContact CG2-CB 4.1Å; I140-L305 HydrophobicContact CD1-CD1 4.16Å; I140-L305 HydrophobicContact CG2-CD1 4.21Å; I140-F306 HydrophobicContact CD1-CE2 3.86Å; I140-F306 HydrophobicContact CD1-CZ 4.2Å
141	E	97.4	Very high	95.7	Very high	37 Å²	37	35.5 Å²	35.5	17%	0.173	22%	0.218	C	C	.	.	H	α-helix	trans	-62.1	-33	173.5	-73.8	178.9	179.9	0	0	111.8	R137 C138 G143 K299 A302 R309	R137-E141 HydrophobicContact CG-CG 4.24Å; R137-E141 WeakPolarHBondContact CG-OE1 3.31Å; R137-E141 IonicContact CZ-OE1 3.95Å; R137-E141 IonicContact NE-OE1 2.93Å; R137-E141 PolarHBondContact NE-OE1 2.87Å; R137-E141 IonicContact NH2-OE1 3.64Å; R137-E141 WeakPolarHBondContact O-CB 3.4Å; R137-E141 VanDerWaalsContact O-CG 3.28Å; R137-E141 WeakPolarHBondContact O-CG 3.45Å; R137-E141 PolarHBondContact O-N 3.09Å; C138-E141 PolarHBondContact O-N 3.34Å; E141-G143 PolarHBondContact O-N 2.88Å; E141-K299 HydrophobicContact CB-CG 4.38Å; E141-K299 HydrophobicContact CG-CG 4.36Å; E141-A302 HydrophobicContact CB-CB 4.49Å; E141-A302 HydrophobicContact CG-CB 3.37Å; E141-R309 IonicContact OE1-CZ 3.02Å; E141-R309 IonicContact OE1-NE 3.36Å; E141-R309 PolarHBondContact OE1-NE 3.15Å; E141-R309 VanDerWaalsContact OE1-NE 3.11Å; E141-R309 IonicContact OE1-NH2 3.21Å; E141-R309 IonicContact OE2-CZ 3.37Å; E141-R309 IonicContact OE2-NE 2.91Å; E141-R309 PolarHBondContact OE2-NE 3.07Å; E141-R309 IonicContact OE2-NH2 2.79Å; E141-R309 PolarHBondContact OE2-NH2 3.21Å
142	A	97.1	Very high	96.4	Very high	51 Å²	51	32.6 Å²	32.6	42%	0.421	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-10.6	172.3	0	0	0	0	0	113.6	C138 T139 I140 Y144 I171	C138-A142 WeakPolarHBondContact O-CB 3.33Å; C138-A142 PolarHBondContact O-N 3.22Å; T139-A142 WeakPolarHBondContact O-CB 3.39Å; T139-A142 PolarHBondContact O-N 3.47Å; I140-A142 PolarHBondContact O-N 3.44Å; A142-Y144 HydrophobicContact CB-CD2 4.11Å; A142-Y144 HydrophobicContact CB-CE2 4.45Å; A142-Y144 WeakPolarHBondContact O-CE2 3.49Å; A142-I171 HydrophobicContact CB-CD1 3.63Å
143	G	96.9	Very high	96.6	Very high	13 Å²	13	33.3 Å²	33.3	13%	0.134	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.9	17.4	174.4	0	0	0	0	0	115.6	T139 I140 E141 P145 G146	T139-G143 PolarHBondContact O-N 3Å; I140-G143 WeakPolarHBondContact O-CA 3.49Å; I140-G143 PolarHBondContact O-N 3.01Å; E141-G143 PolarHBondContact O-N 2.88Å; G143-P145 CarbonylContact O-C 3.25Å; G143-P145 VanDerWaalsContact O-C 3.25Å; G143-G146 PolarHBondContact O-N 3.31Å; G143-G146 VanDerWaalsContact O-N 3.15Å
144	Y	97.3	Very high	96.8	Very high	35 Å²	35	33.1 Å²	33.1	14%	0.137	19%	0.189	C	C	.	.	S	Bend	trans	-120.5	104.8	-176.9	-55.4	-72	0	0	0	113.2	T139 A142 F161 N162 W166 I171 A179	T139-Y144 VanDerWaalsContact CG2-O 3.25Å; T139-Y144 WeakPolarHBondContact CG2-O 3.19Å; T139-Y144 PolarHBondContact O-N 3.1Å; T139-Y144 VanDerWaalsContact O-N 3.15Å; A142-Y144 HydrophobicContact CB-CD2 4.11Å; A142-Y144 HydrophobicContact CB-CE2 4.45Å; A142-Y144 WeakPolarHBondContact O-CE2 3.49Å; Y144-F161 AromaticContact CD1-CD2 3.97Å; Y144-F161 HydrophobicContact CD1-CD2 3.97Å; Y144-F161 AromaticContact CD1-CE2 3.56Å; Y144-F161 HydrophobicContact CD1-CE2 3.56Å; Y144-F161 HydrophobicContact CD1-CZ 4.26Å; Y144-F161 HydrophobicContact CE1-CE2 4.26Å; Y144-F161 HydrophobicContact CG-CE2 4.43Å; Y144-N162 WeakPolarHBondContact CE1-O 3.27Å; Y144-W166 HydrophobicContact CE1-CB 4.25Å; Y144-I171 HydrophobicContact CD2-CD1 3.55Å; Y144-I171 HydrophobicContact CE2-CD1 3.87Å; Y144-A179 WeakPolarHBondContact O-CB 3.39Å
145	P	97.9	Very high	97	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	16%	0.158	C	C	.	.	S	Bend	cis	-75.5	166.1	-16.4	35.7	-36.1	0	0	0	111.9	G143 M159 L160 Y180 I183	G143-P145 CarbonylContact O-C 3.25Å; G143-P145 VanDerWaalsContact O-C 3.25Å; P145-M159 HydrophobicContact CB-CE 4.41Å; P145-M159 HydrophobicContact CG-CE 3.8Å; P145-L160 CarbonylContact C-O 3.55Å; P145-L160 WeakPolarHBondContact CA-O 3.36Å; P145-L160 VanDerWaalsContact CB-O 3.31Å; P145-L160 WeakPolarHBondContact CB-O 3.45Å; P145-Y180 HydrophobicContact CB-CD1 4.47Å; P145-Y180 HydrophobicContact CB-CD2 4.22Å; P145-Y180 HydrophobicContact CB-CE1 3.92Å; P145-Y180 HydrophobicContact CB-CE2 3.65Å; P145-Y180 VanDerWaalsContact CB-CZ 3.47Å; P145-Y180 HydrophobicContact CG-CD1 3.88Å; P145-Y180 HydrophobicContact CG-CD2 3.75Å; P145-Y180 HydrophobicContact CG-CE1 3.83Å; P145-Y180 HydrophobicContact CG-CE2 3.72Å; P145-Y180 HydrophobicContact CG-CG 3.82Å; P145-I183 HydrophobicContact CG-CD1 3.68Å
146	G	98.2	Very high	97.2	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	164.9	166.1	0	0	0	0	0	113	G143 M159 L160 Y296	G143-G146 PolarHBondContact O-N 3.31Å; G143-G146 VanDerWaalsContact O-N 3.15Å; G146-M159 CarbonylContact O-C 3.56Å; G146-M159 WeakPolarHBondContact O-CA 3.42Å; G146-L160 PolarHBondContact N-O 2.93Å; G146-L160 PolarHBondContact O-N 2.94Å; G146-Y296 WeakPolarHBondContact CA-OH 3.33Å
147	V	98.7	Very high	97.4	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.006	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	126.4	174.7	-175.6	0	0	0	0	108.8	V33 F34 S149 V157 I183 L187 Y296 V301	V33-V147 HydrophobicContact CG1-CG1 4.05Å; F34-V147 HydrophobicContact CE1-CG1 4.24Å; F34-V147 HydrophobicContact CZ-CB 4.09Å; F34-V147 HydrophobicContact CZ-CG1 3.85Å; V147-S149 PolarHBondContact O-N 3Å; V147-V157 HydrophobicContact CG1-CG1 3.86Å; V147-I183 HydrophobicContact CG2-CD1 4.1Å; V147-I183 HydrophobicContact CG2-CG2 3.77Å; V147-L187 HydrophobicContact CG1-CD1 4.02Å; V147-L187 HydrophobicContact CG2-CD1 4.49Å; V147-Y296 PolarHBondContact N-OH 3.3Å; V147-Y296 WeakPolarHBondContact O-CE2 3.44Å; V147-V301 HydrophobicContact CB-CG1 4.14Å; V147-V301 HydrophobicContact CG2-CG1 4.35Å; V147-V301 WeakPolarHBondContact O-CG2 3.29Å
148	L	98.3	Very high	97.4	Very high	5 Å²	5	24 Å²	24	3%	0.026	14%	0.139	C	C	.	.			trans	-63.2	138.6	171.8	-67	-171.5	0	0	0	110.5	S150 V158 L160 I284 L285 P286	L148-S150 VanDerWaalsContact CB-O 3.29Å; L148-S150 WeakPolarHBondContact CB-O 3.33Å; L148-S150 PolarHBondContact O-N 3.45Å; L148-V158 HydrophobicContact CB-CB 4.12Å; L148-V158 HydrophobicContact CD1-CB 3.62Å; L148-V158 HydrophobicContact CD1-CG1 3.64Å; L148-V158 HydrophobicContact CD1-CG2 4.1Å; L148-V158 HydrophobicContact CG-CB 3.87Å; L148-V158 HydrophobicContact CG-CG1 3.98Å; L148-V158 PolarHBondContact N-O 2.88Å; L148-L160 HydrophobicContact CD2-CD1 3.59Å; L148-L160 HydrophobicContact CD2-CD2 4.31Å; L148-L160 HydrophobicContact CD2-CG 4.22Å; L148-L160 HydrophobicContact CG-CD1 4.2Å; L148-L160 HydrophobicContact CG-CD2 4.25Å; L148-L160 HydrophobicContact CG-CG 4.3Å; L148-I284 HydrophobicContact CD1-CD1 3.92Å; L148-I284 HydrophobicContact CD1-CG1 4.17Å; L148-L285 HydrophobicContact CD1-CD2 4.01Å; L148-P286 VanDerWaalsContact CD2-CD 3.42Å; L148-P286 HydrophobicContact CD2-CG 3.94Å
149	S	96.1	Very high	97.5	Very high	84 Å²	84	21.3 Å²	21.3	59%	0.587	12%	0.121	S	C	*	.	S	Bend	trans	-67.9	-20.5	172.6	57.7	0	0	0	0	112.8	V33 V147	V33-S149 WeakPolarHBondContact CG2-O 3.37Å; V147-S149 PolarHBondContact O-N 3Å
150	S	96.7	Very high	97.6	Very high	48 Å²	48	21 Å²	21	34%	0.336	12%	0.119	S	C	.	.	S	Bend	trans	-109	150.9	176.4	-60.7	0	0	0	0	111.4	L148	L148-S150 VanDerWaalsContact CB-O 3.29Å; L148-S150 WeakPolarHBondContact CB-O 3.33Å; L148-S150 PolarHBondContact O-N 3.45Å
151	R	98.3	Very high	97.6	Very high	4 Å²	4	21.6 Å²	21.6	2%	0.015	12%	0.122	C	C	.	.			trans	-79.5	159.7	169.1	-64.1	170.4	-176.6	-78.7	-5.7	109.9	H30 G31 P32 V33 G155 R156 N190 T193 I284	H30-R151 HydrophobicContact CB-CB 4.22Å; H30-R151 HydrophobicContact CB-CG 4.48Å; G31-R151 VanDerWaalsContact O-CD 3.23Å; G31-R151 WeakPolarHBondContact O-CD 3.49Å; G31-R151 PolarHBondContact O-NE 2.87Å; P32-R151 PolarHBondContact O-NE 2.84Å; P32-R151 PolarHBondContact O-NH2 3.3Å; V33-R151 HydrophobicContact CG2-CG 3.66Å; R151-G155 WeakPolarHBondContact CD-O 3.47Å; R151-G155 PolarHBondContact NH1-O 3.38Å; R151-R156 VanDerWaalsContact CA-O 3.27Å; R151-R156 WeakPolarHBondContact CA-O 3.13Å; R151-R156 WeakPolarHBondContact CB-O 3.18Å; R151-N190 PolarHBondContact NH2-OD1 2.89Å; R151-T193 PolarHBondContact NH1-OG1 3.08Å; R151-T193 PolarHBondContact NH2-OG1 3.1Å; R151-I284 WeakPolarHBondContact O-CD1 3.22Å
152	D	97.6	Very high	97.6	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	12%	0.119	C	C	.	.			trans	-75.1	179.5	166.6	65.7	24.2	0	0	0	112.2	Y154 G155 R156 V158 I280 I284	D152-Y154 PolarHBondContact O-N 3.39Å; D152-Y154 WeakPolarHBondContact OD1-CA 3.1Å; D152-Y154 WeakPolarHBondContact OD1-CB 3.44Å; D152-Y154 PolarHBondContact OD1-N 2.98Å; D152-G155 PolarHBondContact O-N 2.95Å; D152-G155 PolarHBondContact OD1-N 2.97Å; D152-R156 PolarHBondContact N-O 3.33Å; D152-R156 WeakPolarHBondContact OD1-CB 3.42Å; D152-R156 PolarHBondContact OD1-N 3.34Å; D152-R156 IonicContact OD1-NE 3.49Å; D152-R156 IonicContact OD2-CZ 2.67Å; D152-R156 IonicContact OD2-NE 3.33Å; D152-R156 PolarHBondContact OD2-NE 3.3Å; D152-R156 IonicContact OD2-NH2 3.02Å; D152-R156 PolarHBondContact OD2-NH2 3.1Å; D152-V158 HydrophobicContact CB-CG2 3.9Å; D152-I280 HydrophobicContact CB-CD1 4.09Å; D152-I284 HydrophobicContact CB-CD1 4.48Å
153	K	95	Very high	97.6	Very high	65 Å²	65	18.6 Å²	18.6	28%	0.283	10%	0.1	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-8.8	-179.3	70	178.2	-171.4	175.1	0	114.6	H30 Q278	H30-K153 PolarHBondContact CE1-O 3.24Å; K153-Q278 WeakPolarHBondContact CE-O 3.4Å; K153-Q278 PolarHBondContact NZ-O 3.05Å
154	Y	95.9	Very high	97.4	Very high	78 Å²	78	22.1 Å²	22.1	31%	0.306	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.2	4.2	176.7	-50.9	-73.5	0	0	0	113	K47 D152 R156 N196 E279	K47-Y154 PolarHBondContact NZ-O 3.07Å; D152-Y154 PolarHBondContact O-N 3.39Å; D152-Y154 WeakPolarHBondContact OD1-CA 3.1Å; D152-Y154 WeakPolarHBondContact OD1-CB 3.44Å; D152-Y154 PolarHBondContact OD1-N 2.98Å; Y154-R156 VanDerWaalsContact C-N 3.32Å; Y154-R156 PolarHBondContact O-N 2.77Å; Y154-N196 PolarHBondContact O-OD1 3.04Å; Y154-E279 VanDerWaalsContact CE2-OE2 3.26Å; Y154-E279 WeakPolarHBondContact CE2-OE2 3.2Å; Y154-E279 PolarHBondContact OH-OE2 2.97Å
155	G	97.1	Very high	96.8	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.139	C	C	.	.			trans	78.7	12.6	-180	0	0	0	0	0	114.5	H30 R151 D152 N196	H30-G155 WeakPolarHBondContact CD2-CA 3.39Å; H30-G155 PolarHBondContact CD2-N 3.09Å; H30-G155 PolarHBondContact CE1-N 3.43Å; H30-G155 VanDerWaalsContact CG-CA 3.43Å; H30-G155 WeakPolarHBondContact NE2-CA 3.25Å; H30-G155 PolarHBondContact NE2-N 3.1Å; H30-G155 VanDerWaalsContact NE2-N 3.13Å; R151-G155 WeakPolarHBondContact CD-O 3.47Å; R151-G155 PolarHBondContact NH1-O 3.38Å; D152-G155 PolarHBondContact O-N 2.95Å; D152-G155 PolarHBondContact OD1-N 2.97Å; G155-N196 VanDerWaalsContact C-CB 3.48Å; G155-N196 WeakPolarHBondContact O-CB 3.48Å; G155-N196 PolarHBondContact O-ND2 3.18Å
156	R	98.5	Very high	96.5	Very high	18 Å²	18	27.1 Å²	27.1	7%	0.068	14%	0.141	C	C	.	.			trans	-78.2	145.6	-178.9	-54.4	177.1	-65.1	-173.7	9.9	109.7	R151 D152 Y154 V158 G197 C199	R151-R156 VanDerWaalsContact CA-O 3.27Å; R151-R156 WeakPolarHBondContact CA-O 3.13Å; R151-R156 WeakPolarHBondContact CB-O 3.18Å; D152-R156 PolarHBondContact N-O 3.33Å; D152-R156 WeakPolarHBondContact OD1-CB 3.42Å; D152-R156 PolarHBondContact OD1-N 3.34Å; D152-R156 IonicContact OD1-NE 3.49Å; D152-R156 IonicContact OD2-CZ 2.67Å; D152-R156 IonicContact OD2-NE 3.33Å; D152-R156 PolarHBondContact OD2-NE 3.3Å; D152-R156 IonicContact OD2-NH2 3.02Å; D152-R156 PolarHBondContact OD2-NH2 3.1Å; Y154-R156 VanDerWaalsContact C-N 3.32Å; Y154-R156 PolarHBondContact O-N 2.77Å; R156-V158 PolarHBondContact O-N 3.2Å; R156-G197 VanDerWaalsContact CA-O 3.27Å; R156-G197 WeakPolarHBondContact CA-O 3.47Å; R156-C199 HydrophobicContact CB-CB 4.43Å
157	V	98.8	Very high	96.1	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	129.7	162.7	171	0	0	0	0	107.9	V33 V147 M159 L187 T193 G197 F198 C199	V33-V157 HydrophobicContact CG1-CG1 4.34Å; V33-V157 HydrophobicContact CG1-CG2 4.05Å; V147-V157 HydrophobicContact CG1-CG1 3.86Å; V157-M159 HydrophobicContact CG1-CG 4.22Å; V157-L187 HydrophobicContact CG1-CD1 3.61Å; V157-L187 HydrophobicContact CG2-CD1 4.35Å; V157-T193 HydrophobicContact CB-CG2 4.49Å; V157-T193 HydrophobicContact CG2-CG2 3.65Å; V157-T193 WeakPolarHBondContact CG2-OG1 3.23Å; V157-G197 PolarHBondContact N-O 3.26Å; V157-F198 HydrophobicContact CB-CD1 3.57Å; V157-F198 HydrophobicContact CB-CE1 3.78Å; V157-F198 HydrophobicContact CB-CG 4.43Å; V157-F198 HydrophobicContact CG1-CD1 3.72Å; V157-F198 HydrophobicContact CG1-CE1 3.85Å; V157-F198 HydrophobicContact CG2-CD1 4.39Å; V157-F198 HydrophobicContact CG2-CE1 4.14Å; V157-F198 CarbonylContact O-C 3.59Å; V157-F198 VanDerWaalsContact O-CA 3.31Å; V157-F198 WeakPolarHBondContact O-CA 3.36Å; V157-C199 PolarHBondContact O-N 3.27Å
158	V	98.8	Very high	95.7	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	110.8	176.7	-176.3	0	0	0	0	108.8	L148 D152 R156 L160 C199 I201	L148-V158 HydrophobicContact CB-CB 4.12Å; L148-V158 HydrophobicContact CD1-CB 3.62Å; L148-V158 HydrophobicContact CD1-CG1 3.64Å; L148-V158 HydrophobicContact CD1-CG2 4.1Å; L148-V158 HydrophobicContact CG-CB 3.87Å; L148-V158 HydrophobicContact CG-CG1 3.98Å; L148-V158 PolarHBondContact N-O 2.88Å; D152-V158 HydrophobicContact CB-CG2 3.9Å; R156-V158 PolarHBondContact O-N 3.2Å; V158-L160 HydrophobicContact CG1-CD2 4.08Å; V158-C199 CarbonylContact C-O 3.59Å; V158-C199 WeakPolarHBondContact CA-O 3.4Å; V158-I201 HydrophobicContact CG1-CD1 3.38Å; V158-I201 HydrophobicContact CG1-CG1 3.84Å
159	M	98.8	Very high	95.3	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	146.3	173.7	-56.6	-172.7	72.9	0	0	109.6	P145 G146 V157 Y180 I183 L184 F198 C199 I200 I201	P145-M159 HydrophobicContact CB-CE 4.41Å; P145-M159 HydrophobicContact CG-CE 3.8Å; G146-M159 CarbonylContact O-C 3.56Å; G146-M159 WeakPolarHBondContact O-CA 3.42Å; V157-M159 HydrophobicContact CG1-CG 4.22Å; M159-Y180 HydrophobicContact CB-CE1 4.46Å; M159-Y180 HydrophobicContact CE-CD1 3.26Å; M159-Y180 HydrophobicContact CE-CE1 3.37Å; M159-Y180 HydrophobicContact CE-CG 4.3Å; M159-Y180 HydrophobicContact SD-CD1 3.98Å; M159-Y180 HydrophobicContact SD-CE1 3.89Å; M159-I183 HydrophobicContact CE-CB 4.24Å; M159-I183 HydrophobicContact CE-CD1 4.45Å; M159-I183 HydrophobicContact CE-CG2 3.73Å; M159-L184 HydrophobicContact SD-CD2 4.27Å; M159-F198 HydrophobicContact CG-CD1 4.25Å; M159-F198 HydrophobicContact SD-CD1 4.01Å; M159-C199 PolarHBondContact N-O 2.94Å; M159-I200 HydrophobicContact CB-CG1 4.32Å; M159-I200 CarbonylContact O-C 3.3Å; M159-I200 WeakPolarHBondContact O-CA 3.24Å; M159-I201 PolarHBondContact O-N 3.34Å
160	L	98.7	Very high	95.2	Very high	2 Å²	2	41.6 Å²	41.6	1%	0.01	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	141.5	-171.6	-60.5	-177.6	0	0	0	110.3	P145 G146 L148 V158 I201 P286 F289 Y296	P145-L160 CarbonylContact C-O 3.55Å; P145-L160 WeakPolarHBondContact CA-O 3.36Å; P145-L160 VanDerWaalsContact CB-O 3.31Å; P145-L160 WeakPolarHBondContact CB-O 3.45Å; G146-L160 PolarHBondContact N-O 2.93Å; G146-L160 PolarHBondContact O-N 2.94Å; L148-L160 HydrophobicContact CD2-CD1 3.59Å; L148-L160 HydrophobicContact CD2-CD2 4.31Å; L148-L160 HydrophobicContact CD2-CG 4.22Å; L148-L160 HydrophobicContact CG-CD1 4.2Å; L148-L160 HydrophobicContact CG-CD2 4.25Å; L148-L160 HydrophobicContact CG-CG 4.3Å; V158-L160 HydrophobicContact CG1-CD2 4.08Å; L160-I201 HydrophobicContact CD2-CB 3.95Å; L160-I201 HydrophobicContact CD2-CD1 3.97Å; L160-I201 HydrophobicContact CD2-CG1 4.31Å; L160-P286 HydrophobicContact CD1-CG 4.07Å; L160-F289 HydrophobicContact CB-CE1 4.11Å; L160-F289 HydrophobicContact CB-CE2 4.01Å; L160-F289 HydrophobicContact CB-CZ 3.61Å; L160-F289 HydrophobicContact CD1-CD2 4.08Å; L160-F289 HydrophobicContact CD1-CE2 3.85Å; L160-F289 HydrophobicContact CD1-CZ 4.27Å; L160-F289 HydrophobicContact CD2-CD1 4.14Å; L160-F289 HydrophobicContact CD2-CD2 4.46Å; L160-F289 HydrophobicContact CD2-CE1 4.09Å; L160-F289 HydrophobicContact CD2-CE2 4.43Å; L160-F289 HydrophobicContact CD2-CG 4.32Å; L160-F289 HydrophobicContact CD2-CZ 4.25Å; L160-F289 HydrophobicContact CG-CE2 4.34Å; L160-F289 HydrophobicContact CG-CZ 4.27Å; L160-Y296 HydrophobicContact CD1-CD2 3.77Å; L160-Y296 HydrophobicContact CD1-CE2 4.18Å; L160-Y296 HydrophobicContact CD1-CG 4.35Å
161	F	98.4	Very high	95.1	Very high	13 Å²	13	40.6 Å²	40.6	6%	0.057	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	123.4	166.6	-174.4	-93.7	0	0	0	108.7	Y144 I163 W166 I176 I201 E202 N203 F289	Y144-F161 AromaticContact CD1-CD2 3.97Å; Y144-F161 HydrophobicContact CD1-CD2 3.97Å; Y144-F161 AromaticContact CD1-CE2 3.56Å; Y144-F161 HydrophobicContact CD1-CE2 3.56Å; Y144-F161 HydrophobicContact CD1-CZ 4.26Å; Y144-F161 HydrophobicContact CE1-CE2 4.26Å; Y144-F161 HydrophobicContact CG-CE2 4.43Å; F161-I163 HydrophobicContact CD1-CB 4.39Å; F161-I163 HydrophobicContact CE1-CB 3.82Å; F161-I163 HydrophobicContact CE1-CD1 4.19Å; F161-I163 HydrophobicContact CE1-CG1 3.93Å; F161-W166 HydrophobicContact CZ-CD2 4.36Å; F161-W166 HydrophobicContact CZ-CE3 4.49Å; F161-I176 HydrophobicContact CD2-CG2 4.44Å; F161-I176 HydrophobicContact CE2-CD1 3.92Å; F161-I176 HydrophobicContact CE2-CG2 4.08Å; F161-I176 HydrophobicContact CZ-CD1 4.31Å; F161-I201 PolarHBondContact N-O 2.94Å; F161-E202 WeakPolarHBondContact CB-OE2 3.5Å; F161-E202 WeakPolarHBondContact CD1-OE2 3.24Å; F161-N203 PolarHBondContact O-N 2.77Å; F161-F289 WeakPolarHBondContact O-CE1 3.45Å
162	N	97.9	Very high	95	Very high	21 Å²	21	43.1 Å²	43.1	11%	0.112	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	112.1	175.3	-174	-15.6	0	0	0	108.4	Y144 E164 N203 F289	Y144-N162 WeakPolarHBondContact CE1-O 3.27Å; N162-E164 PolarHBondContact O-N 2.82Å; N162-E164 WeakPolarHBondContact OD1-CB 3.27Å; N162-E164 PolarHBondContact OD1-N 2.6Å; N162-N203 HydrophobicContact CB-CB 4.37Å; N162-F289 HydrophobicContact CB-CE1 4.48Å; N162-F289 HydrophobicContact CB-CE2 4.15Å; N162-F289 HydrophobicContact CB-CZ 3.72Å
163	I	96	Very high	94.9	Very high	4 Å²	4	44.4 Å²	44.4	2%	0.021	22%	0.217	C	C	.	.			trans	-78.5	-11.5	-175.5	-157.2	159.9	0	0	0	113	F161 N165 W166 N203 F204 F207 Q211	F161-I163 HydrophobicContact CD1-CB 4.39Å; F161-I163 HydrophobicContact CE1-CB 3.82Å; F161-I163 HydrophobicContact CE1-CD1 4.19Å; F161-I163 HydrophobicContact CE1-CG1 3.93Å; I163-N165 PolarHBondContact O-N 3.22Å; I163-W166 HydrophobicContact CD1-CE3 4.14Å; I163-W166 HydrophobicContact CD1-CZ3 4.43Å; I163-W166 HydrophobicContact CG1-CB 4.41Å; I163-W166 HydrophobicContact CG1-CE3 3.84Å; I163-W166 WeakPolarHBondContact O-CB 3.31Å; I163-W166 PolarHBondContact O-N 3.42Å; I163-N203 WeakPolarHBondContact CG2-O 3.46Å; I163-N203 PolarHBondContact N-O 3.01Å; I163-F204 HydrophobicContact CD1-CE1 4.28Å; I163-F204 HydrophobicContact CD1-CZ 4.22Å; I163-F204 HydrophobicContact CG2-CD1 4.28Å; I163-F204 HydrophobicContact CG2-CG 4.43Å; I163-F207 HydrophobicContact CD1-CD2 3.38Å; I163-F207 HydrophobicContact CD1-CE2 3.74Å; I163-F207 HydrophobicContact CD1-CG 4.24Å; I163-F207 HydrophobicContact CG1-CD2 4.22Å; I163-F207 HydrophobicContact CG2-CB 3.74Å; I163-F207 HydrophobicContact CG2-CD2 4.45Å; I163-F207 HydrophobicContact CG2-CG 4.49Å; I163-Q211 PolarHBondContact O-NE2 3.48Å
164	E	92.3	Very high	94.9	Very high	87 Å²	87	43.3 Å²	43.3	41%	0.407	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	123.4	-179.5	-165.9	174.2	-161.2	0	0	110.2	N162 W166 K205	N162-E164 PolarHBondContact O-N 2.82Å; N162-E164 WeakPolarHBondContact OD1-CB 3.27Å; N162-E164 PolarHBondContact OD1-N 2.6Å; E164-W166 PolarHBondContact O-N 3.15Å; E164-K205 WeakPolarHBondContact CB-O 3.44Å
165	N	84.7	Confident	94.9	Very high	127 Å²	127	42.6 Å²	42.6	68%	0.679	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.3	10.3	-175.3	-48.7	-57.4	0	0	0	115.8	I163 Q167	I163-N165 PolarHBondContact O-N 3.22Å; N165-Q167 PolarHBondContact O-N 3.28Å
166	W	92.8	Very high	94.9	Very high	12 Å²	12	42.8 Å²	42.8	5%	0.045	21%	0.214	C	C	.	.			trans	-65	125.9	170.6	171.7	55	0	0	0	110.8	Y144 F161 I163 E164 I171 F173 I176 Q211 L215	Y144-W166 HydrophobicContact CE1-CB 4.25Å; F161-W166 HydrophobicContact CZ-CD2 4.36Å; F161-W166 HydrophobicContact CZ-CE3 4.49Å; I163-W166 HydrophobicContact CD1-CE3 4.14Å; I163-W166 HydrophobicContact CD1-CZ3 4.43Å; I163-W166 HydrophobicContact CG1-CB 4.41Å; I163-W166 HydrophobicContact CG1-CE3 3.84Å; I163-W166 WeakPolarHBondContact O-CB 3.31Å; I163-W166 PolarHBondContact O-N 3.42Å; E164-W166 PolarHBondContact O-N 3.15Å; W166-I171 PolarHBondContact NE1-O 3.22Å; W166-F173 AromaticContact CH2-CD2 3.97Å; W166-F173 HydrophobicContact CH2-CD2 3.97Å; W166-F173 HydrophobicContact CZ2-CD2 4.35Å; W166-I176 HydrophobicContact CZ2-CD1 3.9Å; W166-Q211 PolarHBondContact O-NE2 3.28Å; W166-L215 HydrophobicContact CH2-CD2 4.07Å; W166-L215 HydrophobicContact CZ3-CD2 4.09Å
167	Q	89.5	Confident	94.8	Very high	79 Å²	79	42 Å²	42	37%	0.369	21%	0.211	S	C	.	.			trans	-115.2	106.7	179.7	-72.5	-174.1	51.7	0	0	109.5	N165 Q169 E170 I171	N165-Q167 PolarHBondContact O-N 3.28Å; Q167-Q169 PolarHBondContact O-N 3Å; Q167-E170 HydrophobicContact CB-CB 4.2Å; Q167-E170 HydrophobicContact CB-CG 3.96Å; Q167-E170 PolarHBondContact O-N 3.3Å; Q167-E170 PolarHBondContact OE1-OE1 2.85Å; Q167-E170 VanDerWaalsContact OE1-OE1 3.14Å; Q167-I171 PolarHBondContact O-N 3.2Å
168	S	89.9	Confident	94.8	Very high	47 Å²	47	43 Å²	43	33%	0.329	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-16.9	-175.4	58.8	0	0	0	0	114.5	I171	S168-I171 WeakPolarHBondContact CA-O 3.48Å
169	Q	90.3	Very high	94.7	Very high	136 Å²	136	43 Å²	43	64%	0.636	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-21	174.2	68.8	-81.4	8.3	0	0	113.8	Q167	Q167-Q169 PolarHBondContact O-N 3Å
170	E	93.1	Very high	94.7	Very high	132 Å²	132	43.2 Å²	43.2	62%	0.617	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.3	-44.5	177.3	-63.6	-174	174.2	0	0	110.8	Q167	Q167-E170 HydrophobicContact CB-CB 4.2Å; Q167-E170 HydrophobicContact CB-CG 3.96Å; Q167-E170 PolarHBondContact O-N 3.3Å; Q167-E170 PolarHBondContact OE1-OE1 2.85Å; Q167-E170 VanDerWaalsContact OE1-OE1 3.14Å
171	I	95.3	Very high	94.6	Very high	27 Å²	27	43.3 Å²	43.3	14%	0.138	22%	0.218	C	C	.	.	S	Bend	trans	-128.5	109	175.2	-58.5	177.5	0	0	0	107.5	T139 A142 Y144 W166 Q167 S168 E175 I176	T139-I171 HydrophobicContact CG2-CG2 3.82Å; A142-I171 HydrophobicContact CB-CD1 3.63Å; Y144-I171 HydrophobicContact CD2-CD1 3.55Å; Y144-I171 HydrophobicContact CE2-CD1 3.87Å; W166-I171 PolarHBondContact NE1-O 3.22Å; Q167-I171 PolarHBondContact O-N 3.2Å; S168-I171 WeakPolarHBondContact CA-O 3.48Å; I171-E175 HydrophobicContact CG2-CB 4.27Å; I171-I176 HydrophobicContact CG2-CD1 4.21Å; I171-I176 HydrophobicContact CG2-CG1 3.77Å
172	T	95.2	Very high	94.5	Very high	58 Å²	58	44.3 Å²	44.3	36%	0.356	22%	0.222	S	C	.	.			trans	-69.2	157	-179.2	66.1	0	0	0	0	111.4	D174 E175 I176	T172-D174 PolarHBondContact O-N 3.04Å; T172-E175 WeakPolarHBondContact CB-OE2 3.41Å; T172-E175 WeakPolarHBondContact CG2-OE2 3.42Å; T172-E175 PolarHBondContact N-OE2 2.82Å; T172-E175 PolarHBondContact O-N 2.84Å; T172-E175 VanDerWaalsContact OG1-CD 3.3Å; T172-E175 VanDerWaalsContact OG1-CG 3.27Å; T172-E175 WeakPolarHBondContact OG1-CG 3.24Å; T172-E175 PolarHBondContact OG1-N 3.45Å; T172-E175 PolarHBondContact OG1-OE2 2.89Å; T172-I176 WeakPolarHBondContact O-CG1 3.25Å; T172-I176 PolarHBondContact O-N 3.24Å
173	F	95.4	Very high	94.5	Very high	27 Å²	27	43.3 Å²	43.3	12%	0.118	22%	0.217	C	C	.	.	H	α-helix	trans	-60.9	-33.3	174.9	-160.6	-84.3	0	0	0	111.9	W166 I176 L177 L215 D219 M223	W166-F173 AromaticContact CH2-CD2 3.97Å; W166-F173 HydrophobicContact CH2-CD2 3.97Å; W166-F173 HydrophobicContact CZ2-CD2 4.35Å; F173-I176 WeakPolarHBondContact O-CB 3.46Å; F173-I176 PolarHBondContact O-N 3.01Å; F173-L177 HydrophobicContact CD1-CD1 3.75Å; F173-L177 HydrophobicContact CD1-CG 3.81Å; F173-L177 HydrophobicContact CE1-CD1 3.71Å; F173-L177 HydrophobicContact CE1-CD2 3.96Å; F173-L177 HydrophobicContact CE1-CG 3.74Å; F173-L177 WeakPolarHBondContact O-CG 3.24Å; F173-L177 PolarHBondContact O-N 2.89Å; F173-L215 HydrophobicContact CD2-CD2 4.21Å; F173-L215 HydrophobicContact CE2-CD2 4.16Å; F173-D219 HydrophobicContact CB-CB 4.28Å; F173-D219 HydrophobicContact CD1-CB 3.67Å; F173-D219 HydrophobicContact CE1-CB 4.07Å; F173-D219 VanDerWaalsContact CE1-O 3.25Å; F173-D219 WeakPolarHBondContact CE1-O 3.37Å; F173-D219 HydrophobicContact CG-CB 3.91Å; F173-M223 HydrophobicContact CE1-CB 4.02Å; F173-M223 HydrophobicContact CZ-CB 4.01Å; F173-M223 HydrophobicContact CZ-CG 4.47Å; F173-M223 HydrophobicContact CZ-SD 3.96Å
174	D	95.6	Very high	94.6	Very high	41 Å²	41	43.1 Å²	43.1	22%	0.219	22%	0.216	C	C	.	.	H	α-helix	trans	-68.4	-39.6	178.3	-70.5	-21.9	0	0	0	111.9	L127 T172 I176 L177 Q178 K222	L127-D174 HydrophobicContact CD2-CB 3.97Å; T172-D174 PolarHBondContact O-N 3.04Å; D174-I176 VanDerWaalsContact C-N 3.29Å; D174-I176 PolarHBondContact O-N 3.34Å; D174-L177 PolarHBondContact O-N 3.42Å; D174-Q178 WeakPolarHBondContact O-CB 3.18Å; D174-Q178 VanDerWaalsContact O-CG 3.26Å; D174-Q178 WeakPolarHBondContact O-CG 3.34Å; D174-Q178 PolarHBondContact O-N 2.91Å; D174-K222 VanDerWaalsContact CG-NZ 3.28Å; D174-K222 WeakPolarHBondContact OD1-CE 3.42Å; D174-K222 IonicContact OD1-NZ 3.55Å; D174-K222 PolarHBondContact OD1-NZ 2.88Å; D174-K222 IonicContact OD2-NZ 2.78Å; D174-K222 PolarHBondContact OD2-NZ 3.02Å; D174-K222 VanDerWaalsContact OD2-NZ 3.15Å
175	E	96.4	Very high	94.7	Very high	63 Å²	63	40.9 Å²	40.9	29%	0.294	21%	0.206	S	C	.	.	H	α-helix	trans	-62.8	-37.1	173.2	-73.8	161.7	136	0	0	111.9	T139 I171 T172 Q178 A179	T139-E175 HydrophobicContact CG2-CB 4.33Å; I171-E175 HydrophobicContact CG2-CB 4.27Å; T172-E175 WeakPolarHBondContact CB-OE2 3.41Å; T172-E175 WeakPolarHBondContact CG2-OE2 3.42Å; T172-E175 PolarHBondContact N-OE2 2.82Å; T172-E175 PolarHBondContact O-N 2.84Å; T172-E175 VanDerWaalsContact OG1-CD 3.3Å; T172-E175 VanDerWaalsContact OG1-CG 3.27Å; T172-E175 WeakPolarHBondContact OG1-CG 3.24Å; T172-E175 PolarHBondContact OG1-N 3.45Å; T172-E175 PolarHBondContact OG1-OE2 2.89Å; E175-Q178 WeakPolarHBondContact O-CB 3.41Å; E175-Q178 PolarHBondContact O-N 3.48Å; E175-A179 PolarHBondContact O-N 3.47Å
176	I	97.3	Very high	95.3	Very high	4 Å²	4	38.5 Å²	38.5	2%	0.021	19%	0.189	C	C	.	.	H	α-helix	trans	-64.9	-45	174.6	-62.3	166.8	0	0	0	110.2	F161 W166 I171 T172 F173 D174 A179 Y180	F161-I176 HydrophobicContact CD2-CG2 4.44Å; F161-I176 HydrophobicContact CE2-CD1 3.92Å; F161-I176 HydrophobicContact CE2-CG2 4.08Å; F161-I176 HydrophobicContact CZ-CD1 4.31Å; W166-I176 HydrophobicContact CZ2-CD1 3.9Å; I171-I176 HydrophobicContact CG2-CD1 4.21Å; I171-I176 HydrophobicContact CG2-CG1 3.77Å; T172-I176 WeakPolarHBondContact O-CG1 3.25Å; T172-I176 PolarHBondContact O-N 3.24Å; F173-I176 WeakPolarHBondContact O-CB 3.46Å; F173-I176 PolarHBondContact O-N 3.01Å; D174-I176 VanDerWaalsContact C-N 3.29Å; D174-I176 PolarHBondContact O-N 3.34Å; I176-A179 WeakPolarHBondContact O-CB 3.21Å; I176-A179 PolarHBondContact O-N 3.44Å; I176-Y180 HydrophobicContact CG2-CD2 3.9Å; I176-Y180 HydrophobicContact CG2-CE2 3.82Å; I176-Y180 WeakPolarHBondContact O-CD2 3.39Å; I176-Y180 PolarHBondContact O-N 3.38Å
177	L	96.7	Very high	95.5	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.005	19%	0.188	C	C	.	.	H	α-helix	trans	-65.7	-37.8	177	-72.3	-177.5	0	0	0	112.7	L127 F173 D174 A179 Y180 C181 K222 M223 M226	L127-L177 HydrophobicContact CD1-CB 4.25Å; L127-L177 HydrophobicContact CD1-CD1 4.28Å; L127-L177 HydrophobicContact CD2-CB 3.96Å; F173-L177 HydrophobicContact CD1-CD1 3.75Å; F173-L177 HydrophobicContact CD1-CG 3.81Å; F173-L177 HydrophobicContact CE1-CD1 3.71Å; F173-L177 HydrophobicContact CE1-CD2 3.96Å; F173-L177 HydrophobicContact CE1-CG 3.74Å; F173-L177 WeakPolarHBondContact O-CG 3.24Å; F173-L177 PolarHBondContact O-N 2.89Å; D174-L177 PolarHBondContact O-N 3.42Å; L177-A179 VanDerWaalsContact C-N 3.32Å; L177-A179 PolarHBondContact O-N 2.85Å; L177-Y180 WeakPolarHBondContact O-CB 3.22Å; L177-Y180 PolarHBondContact O-N 3.08Å; L177-C181 PolarHBondContact O-N 3.04Å; L177-C181 PolarHBondContact O-SG 3.32Å; L177-K222 HydrophobicContact CD1-CB 3.56Å; L177-K222 HydrophobicContact CD1-CD 4.31Å; L177-M223 HydrophobicContact CD2-CB 4.09Å; L177-M223 HydrophobicContact CD2-CG 4.22Å; L177-M226 HydrophobicContact CD2-CE 3.65Å; L177-M226 HydrophobicContact CD2-SD 3.93Å
178	Q	97.3	Very high	95.9	Very high	23 Å²	23	34.4 Å²	34.4	11%	0.107	17%	0.17	C	C	.	.	H	α-helix	trans	-58.7	-44.5	171.6	-76.5	173.1	-8.3	0	0	111	E126 L127 L131 D174 E175 C181 F182	E126-Q178 PolarHBondContact O-NE2 2.87Å; L127-Q178 HydrophobicContact CB-CG 4.3Å; L127-Q178 HydrophobicContact CD2-CG 4.04Å; L131-Q178 HydrophobicContact CD1-CB 3.69Å; L131-Q178 HydrophobicContact CD1-CG 3.77Å; D174-Q178 WeakPolarHBondContact O-CB 3.18Å; D174-Q178 VanDerWaalsContact O-CG 3.26Å; D174-Q178 WeakPolarHBondContact O-CG 3.34Å; D174-Q178 PolarHBondContact O-N 2.91Å; E175-Q178 WeakPolarHBondContact O-CB 3.41Å; E175-Q178 PolarHBondContact O-N 3.48Å; Q178-C181 PolarHBondContact O-N 2.91Å; Q178-F182 PolarHBondContact O-N 2.99Å
179	A	97.8	Very high	96.2	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-63	-43.5	174.7	0	0	0	0	0	112.4	V136 T139 I140 Y144 E175 I176 L177 C181 F182 I183	V136-A179 HydrophobicContact CG1-CB 4.44Å; T139-A179 HydrophobicContact CG2-CB 4.14Å; I140-A179 HydrophobicContact CD1-CB 4.32Å; I140-A179 HydrophobicContact CG1-CB 3.81Å; Y144-A179 WeakPolarHBondContact O-CB 3.39Å; E175-A179 PolarHBondContact O-N 3.47Å; I176-A179 WeakPolarHBondContact O-CB 3.21Å; I176-A179 PolarHBondContact O-N 3.44Å; L177-A179 VanDerWaalsContact C-N 3.32Å; L177-A179 PolarHBondContact O-N 2.85Å; A179-C181 PolarHBondContact O-N 3.35Å; A179-F182 PolarHBondContact O-N 3.41Å; A179-I183 WeakPolarHBondContact O-CB 3.44Å; A179-I183 WeakPolarHBondContact O-CD1 3.19Å; A179-I183 VanDerWaalsContact O-CG1 3.26Å; A179-I183 WeakPolarHBondContact O-CG1 3.23Å; A179-I183 PolarHBondContact O-N 2.73Å
180	Y	97.8	Very high	96.6	Very high	3 Å²	3	29.9 Å²	29.9	1%	0.012	14%	0.144	C	C	.	.	H	α-helix	trans	-56.2	-49.1	171.2	-91.1	-78.7	0	0	0	111.8	P145 M159 I176 L177 F182 I183 L184 M226	P145-Y180 HydrophobicContact CB-CD1 4.47Å; P145-Y180 HydrophobicContact CB-CD2 4.22Å; P145-Y180 HydrophobicContact CB-CE1 3.92Å; P145-Y180 HydrophobicContact CB-CE2 3.65Å; P145-Y180 VanDerWaalsContact CB-CZ 3.47Å; P145-Y180 HydrophobicContact CG-CD1 3.88Å; P145-Y180 HydrophobicContact CG-CD2 3.75Å; P145-Y180 HydrophobicContact CG-CE1 3.83Å; P145-Y180 HydrophobicContact CG-CE2 3.72Å; P145-Y180 HydrophobicContact CG-CG 3.82Å; M159-Y180 HydrophobicContact CB-CE1 4.46Å; M159-Y180 HydrophobicContact CE-CD1 3.26Å; M159-Y180 HydrophobicContact CE-CE1 3.37Å; M159-Y180 HydrophobicContact CE-CG 4.3Å; M159-Y180 HydrophobicContact SD-CD1 3.98Å; M159-Y180 HydrophobicContact SD-CE1 3.89Å; I176-Y180 HydrophobicContact CG2-CD2 3.9Å; I176-Y180 HydrophobicContact CG2-CE2 3.82Å; I176-Y180 WeakPolarHBondContact O-CD2 3.39Å; I176-Y180 PolarHBondContact O-N 3.38Å; L177-Y180 WeakPolarHBondContact O-CB 3.22Å; L177-Y180 PolarHBondContact O-N 3.08Å; Y180-F182 VanDerWaalsContact C-N 3.34Å; Y180-F182 PolarHBondContact O-N 3.13Å; Y180-I183 PolarHBondContact O-N 3.36Å; Y180-L184 WeakPolarHBondContact O-CB 3.45Å; Y180-L184 WeakPolarHBondContact O-CG 3.37Å; Y180-L184 PolarHBondContact O-N 3.03Å; Y180-M226 VanDerWaalsContact CB-SD 3.57Å; Y180-M226 HydrophobicContact CD1-CE 4.03Å; Y180-M226 HydrophobicContact CD2-CE 4.19Å; Y180-M226 HydrophobicContact CG-CE 3.76Å; Y180-M226 HydrophobicContact CG-SD 4.25Å
181	C	96.9	Very high	96.7	Very high	5 Å²	5	26.1 Å²	26.1	3%	0.034	13%	0.127	C	C	.	.	H	α-helix	trans	-58.3	-47.4	179.6	-67.4	0	0	0	0	110.9	F128 L177 Q178 A179 L184 E185 F231	F128-C181 HydrophobicContact CE1-CB 4.17Å; L177-C181 PolarHBondContact O-N 3.04Å; L177-C181 PolarHBondContact O-SG 3.32Å; Q178-C181 PolarHBondContact O-N 2.91Å; A179-C181 PolarHBondContact O-N 3.35Å; C181-L184 PolarHBondContact O-N 2.96Å; C181-E185 WeakPolarHBondContact O-CG 3.22Å; C181-E185 PolarHBondContact O-N 3.49Å; C181-F231 HydrophobicContact CB-CE1 4.46Å; C181-F231 HydrophobicContact CB-CZ 3.88Å; C181-F231 VanDerWaalsContact SG-CZ 3.53Å
182	F	97.2	Very high	96.9	Very high	34 Å²	34	24.9 Å²	24.9	15%	0.149	12%	0.12	C	C	.	.	H	α-helix	trans	-61.7	-47.7	178.3	-178.3	-89.9	0	0	0	112.5	V136 I140 Q178 A179 Y180 L184 E185 K186 L305 F306	V136-F182 HydrophobicContact CG1-CB 3.73Å; V136-F182 HydrophobicContact CG1-CD1 4.1Å; V136-F182 HydrophobicContact CG1-CD2 4.38Å; V136-F182 HydrophobicContact CG1-CG 3.81Å; I140-F182 HydrophobicContact CD1-CD1 4.04Å; Q178-F182 PolarHBondContact O-N 2.99Å; A179-F182 PolarHBondContact O-N 3.41Å; Y180-F182 VanDerWaalsContact C-N 3.34Å; Y180-F182 PolarHBondContact O-N 3.13Å; F182-L184 VanDerWaalsContact C-N 3.34Å; F182-L184 PolarHBondContact O-N 3.26Å; F182-E185 PolarHBondContact O-N 2.9Å; F182-K186 HydrophobicContact CD1-CG 4.28Å; F182-K186 HydrophobicContact CE1-CG 3.82Å; F182-K186 HydrophobicContact CZ-CD 4.39Å; F182-K186 HydrophobicContact CZ-CG 4.01Å; F182-K186 WeakPolarHBondContact O-CG 3.33Å; F182-K186 PolarHBondContact O-N 3.46Å; F182-K186 VanDerWaalsContact O-N 3.08Å; F182-L305 HydrophobicContact CE1-CB 4.33Å; F182-F306 HydrophobicContact CD1-CE1 4.38Å; F182-F306 HydrophobicContact CD1-CE2 4.26Å; F182-F306 AromaticContact CD1-CZ 3.72Å; F182-F306 HydrophobicContact CD1-CZ 3.72Å; F182-F306 HydrophobicContact CE1-CD1 4.3Å; F182-F306 HydrophobicContact CE1-CD2 4.39Å; F182-F306 AromaticContact CE1-CE1 3.55Å; F182-F306 HydrophobicContact CE1-CE1 3.55Å; F182-F306 AromaticContact CE1-CE2 3.64Å; F182-F306 HydrophobicContact CE1-CE2 3.64Å; F182-F306 AromaticContact CE1-CZ 3.16Å; F182-F306 HydrophobicContact CE1-CZ 3.16Å; F182-F306 AromaticContact CE2-CE1 3.82Å; F182-F306 HydrophobicContact CE2-CE1 3.82Å; F182-F306 HydrophobicContact CE2-CZ 4.11Å; F182-F306 HydrophobicContact CG-CZ 4.39Å; F182-F306 AromaticContact CZ-CD1 3.89Å; F182-F306 HydrophobicContact CZ-CD1 3.89Å; F182-F306 AromaticContact CZ-CE1 3.21Å; F182-F306 HydrophobicContact CZ-CE1 3.21Å; F182-F306 HydrophobicContact CZ-CE2 4.19Å; F182-F306 AromaticContact CZ-CZ 3.39Å; F182-F306 HydrophobicContact CZ-CZ 3.39Å
183	I	97.7	Very high	97	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-61.2	-44.9	178.7	-71.3	164.7	0	0	0	110.4	I140 P145 V147 M159 A179 Y180 K186 L187 L305	I140-I183 HydrophobicContact CD1-CD1 3.86Å; I140-I183 HydrophobicContact CD1-CG1 3.75Å; I140-I183 HydrophobicContact CG1-CD1 3.97Å; I140-I183 HydrophobicContact CG1-CG1 4.42Å; P145-I183 HydrophobicContact CG-CD1 3.68Å; V147-I183 HydrophobicContact CG2-CD1 4.1Å; V147-I183 HydrophobicContact CG2-CG2 3.77Å; M159-I183 HydrophobicContact CE-CB 4.24Å; M159-I183 HydrophobicContact CE-CD1 4.45Å; M159-I183 HydrophobicContact CE-CG2 3.73Å; A179-I183 WeakPolarHBondContact O-CB 3.44Å; A179-I183 WeakPolarHBondContact O-CD1 3.19Å; A179-I183 VanDerWaalsContact O-CG1 3.26Å; A179-I183 WeakPolarHBondContact O-CG1 3.23Å; A179-I183 PolarHBondContact O-N 2.73Å; Y180-I183 PolarHBondContact O-N 3.36Å; I183-K186 PolarHBondContact O-N 3.36Å; I183-L187 HydrophobicContact CG2-CD1 3.47Å; I183-L187 VanDerWaalsContact CG2-CD1 3.47Å; I183-L187 HydrophobicContact CG2-CG 4Å; I183-L187 WeakPolarHBondContact O-CB 3.4Å; I183-L187 VanDerWaalsContact O-CG 3.29Å; I183-L187 WeakPolarHBondContact O-CG 3.14Å; I183-L187 PolarHBondContact O-N 2.82Å; I183-L305 HydrophobicContact CG1-CD1 3.89Å
184	L	97.4	Very high	97.1	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-61	-47.1	178.1	-72.9	169.2	0	0	0	111.3	M159 Y180 C181 F182 K186 L187 L188 F198 M226 F231 A233 F235	M159-L184 HydrophobicContact SD-CD2 4.27Å; Y180-L184 WeakPolarHBondContact O-CB 3.45Å; Y180-L184 WeakPolarHBondContact O-CG 3.37Å; Y180-L184 PolarHBondContact O-N 3.03Å; C181-L184 PolarHBondContact O-N 2.96Å; F182-L184 VanDerWaalsContact C-N 3.34Å; F182-L184 PolarHBondContact O-N 3.26Å; L184-K186 VanDerWaalsContact C-N 3.28Å; L184-K186 PolarHBondContact O-N 3.47Å; L184-L187 PolarHBondContact O-N 3.14Å; L184-L188 HydrophobicContact CB-CD1 4.46Å; L184-L188 WeakPolarHBondContact O-CB 3.34Å; L184-L188 WeakPolarHBondContact O-CD1 3.25Å; L184-L188 WeakPolarHBondContact O-CG 3.25Å; L184-L188 PolarHBondContact O-N 3.37Å; L184-F198 HydrophobicContact CD2-CD1 4.07Å; L184-F198 HydrophobicContact CD2-CD2 4.22Å; L184-F198 HydrophobicContact CD2-CE1 3.75Å; L184-F198 HydrophobicContact CD2-CE2 3.9Å; L184-F198 HydrophobicContact CD2-CG 4.3Å; L184-F198 HydrophobicContact CD2-CZ 3.65Å; L184-M226 HydrophobicContact CD1-SD 4.47Å; L184-F231 HydrophobicContact CB-CD1 4.1Å; L184-F231 HydrophobicContact CB-CE1 4.34Å; L184-F231 HydrophobicContact CD1-CD1 4.25Å; L184-F231 HydrophobicContact CD1-CD2 4.23Å; L184-F231 HydrophobicContact CD1-CG 4.09Å; L184-A233 HydrophobicContact CD2-CB 4.36Å; L184-F235 HydrophobicContact CD1-CZ 4.03Å; L184-F235 HydrophobicContact CD2-CE1 4.31Å; L184-F235 HydrophobicContact CD2-CZ 4Å
185	E	95.6	Very high	97.2	Very high	40 Å²	40	19.2 Å²	19.2	19%	0.187	9%	0.089	C	C	.	.	H	α-helix	trans	-56.6	-42.8	177.1	-72.3	-59.2	152.2	0	0	112	Y117 R121 C181 F182 F231	Y117-E185 VanDerWaalsContact CE2-OE1 3.25Å; Y117-E185 WeakPolarHBondContact CE2-OE1 3.26Å; Y117-E185 PolarHBondContact OH-OE1 3.23Å; R121-E185 IonicContact CZ-OE1 2.75Å; R121-E185 IonicContact NH2-OE1 3.85Å; R121-E185 PolarHBondContact NH2-OE1 3.07Å; C181-E185 WeakPolarHBondContact O-CG 3.22Å; C181-E185 PolarHBondContact O-N 3.49Å; F182-E185 PolarHBondContact O-N 2.9Å; E185-F231 HydrophobicContact CG-CE1 4.46Å; E185-F231 WeakPolarHBondContact OE1-CE1 3.44Å
186	K	96.3	Very high	97.3	Very high	77 Å²	77	16.3 Å²	16.3	34%	0.335	8%	0.075	S	C	.	.	H	α-helix	trans	-69.5	-49.4	178.4	-70.2	-71.7	145.1	-138.7	0	112.5	F182 I183 L184 L188 E189 L305	F182-K186 HydrophobicContact CD1-CG 4.28Å; F182-K186 HydrophobicContact CE1-CG 3.82Å; F182-K186 HydrophobicContact CZ-CD 4.39Å; F182-K186 HydrophobicContact CZ-CG 4.01Å; F182-K186 WeakPolarHBondContact O-CG 3.33Å; F182-K186 PolarHBondContact O-N 3.46Å; F182-K186 VanDerWaalsContact O-N 3.08Å; I183-K186 PolarHBondContact O-N 3.36Å; L184-K186 VanDerWaalsContact C-N 3.28Å; L184-K186 PolarHBondContact O-N 3.47Å; K186-L188 VanDerWaalsContact C-N 3.27Å; K186-L188 PolarHBondContact O-N 3.3Å; K186-E189 IonicContact NZ-OE1 3.11Å; K186-E189 PolarHBondContact NZ-OE1 3.17Å; K186-E189 VanDerWaalsContact O-CB 3.26Å; K186-E189 WeakPolarHBondContact O-CB 3.48Å; K186-E189 WeakPolarHBondContact O-CG 3.35Å; K186-E189 PolarHBondContact O-N 3.05Å; K186-E189 VanDerWaalsContact O-N 3.11Å; K186-L305 HydrophobicContact CB-CD2 3.99Å; K186-L305 HydrophobicContact CG-CD2 4.4Å
187	L	97.9	Very high	97.3	Very high	3 Å²	3	16.1 Å²	16.1	2%	0.016	7%	0.074	C	C	.	.	H	α-helix	trans	-72.9	-21.3	-175.3	-64.3	-176.2	0	0	0	113	V33 F34 V147 V157 I183 L184 E189 N190 T193 F198	V33-L187 HydrophobicContact CG1-CD2 4.11Å; F34-L187 HydrophobicContact CD1-CD2 3.67Å; F34-L187 HydrophobicContact CE1-CD2 3.92Å; V147-L187 HydrophobicContact CG1-CD1 4.02Å; V147-L187 HydrophobicContact CG2-CD1 4.49Å; V157-L187 HydrophobicContact CG1-CD1 3.61Å; V157-L187 HydrophobicContact CG2-CD1 4.35Å; I183-L187 HydrophobicContact CG2-CD1 3.47Å; I183-L187 VanDerWaalsContact CG2-CD1 3.47Å; I183-L187 HydrophobicContact CG2-CG 4Å; I183-L187 WeakPolarHBondContact O-CB 3.4Å; I183-L187 VanDerWaalsContact O-CG 3.29Å; I183-L187 WeakPolarHBondContact O-CG 3.14Å; I183-L187 PolarHBondContact O-N 2.82Å; L184-L187 PolarHBondContact O-N 3.14Å; L187-E189 PolarHBondContact O-N 2.97Å; L187-N190 PolarHBondContact O-N 2.82Å; L187-T193 HydrophobicContact CB-CG2 4.46Å; L187-T193 VanDerWaalsContact O-CB 3.31Å; L187-T193 WeakPolarHBondContact O-CB 3.42Å; L187-T193 WeakPolarHBondContact O-CG2 3.08Å; L187-F198 HydrophobicContact CB-CE1 4.05Å; L187-F198 HydrophobicContact CB-CZ 4.12Å; L187-F198 HydrophobicContact CD1-CE1 4.18Å
188	L	97.5	Very high	97.4	Very high	1 Å²	1	16 Å²	16	1%	0.005	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-6.1	171.2	-73.7	167.2	0	0	0	113.5	R98 L184 K186 N190 Q194 F198 P232 A233	R98-L188 PolarHBondContact NE-O 2.68Å; L184-L188 HydrophobicContact CB-CD1 4.46Å; L184-L188 WeakPolarHBondContact O-CB 3.34Å; L184-L188 WeakPolarHBondContact O-CD1 3.25Å; L184-L188 WeakPolarHBondContact O-CG 3.25Å; L184-L188 PolarHBondContact O-N 3.37Å; K186-L188 VanDerWaalsContact C-N 3.27Å; K186-L188 PolarHBondContact O-N 3.3Å; L188-N190 PolarHBondContact O-N 3.01Å; L188-Q194 HydrophobicContact CD2-CG 4.26Å; L188-Q194 WeakPolarHBondContact O-CG 3.49Å; L188-Q194 PolarHBondContact O-NE2 3.18Å; L188-F198 HydrophobicContact CD2-CE2 3.92Å; L188-F198 HydrophobicContact CD2-CZ 4.3Å; L188-F198 HydrophobicContact CG-CE2 4.26Å; L188-F198 HydrophobicContact CG-CZ 4.23Å; L188-P232 HydrophobicContact CD1-CG 4.03Å; L188-P232 WeakPolarHBondContact CD2-O 3.3Å; L188-A233 HydrophobicContact CD1-CB 4.45Å; L188-A233 HydrophobicContact CD2-CB 4.43Å
189	E	96	Very high	97.4	Very high	85 Å²	85	15 Å²	15	40%	0.397	7%	0.069	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-21.8	167.3	-63.3	171.3	-165.5	0	0	111.4	K186 L187	K186-E189 IonicContact NZ-OE1 3.11Å; K186-E189 PolarHBondContact NZ-OE1 3.17Å; K186-E189 VanDerWaalsContact O-CB 3.26Å; K186-E189 WeakPolarHBondContact O-CB 3.48Å; K186-E189 WeakPolarHBondContact O-CG 3.35Å; K186-E189 PolarHBondContact O-N 3.05Å; K186-E189 VanDerWaalsContact O-N 3.11Å; L187-E189 PolarHBondContact O-N 2.97Å
190	N	97.6	Very high	97.5	Very high	3 Å²	3	15 Å²	15	2%	0.016	7%	0.069	C	C	.	.	S	Bend	trans	-89.8	119.6	179.7	-174.7	-55.9	0	0	0	111.9	G35 R151 L187 L188 E192 T193 Q194	G35-N190 PolarHBondContact O-ND2 3Å; R151-N190 PolarHBondContact NH2-OD1 2.89Å; L187-N190 PolarHBondContact O-N 2.82Å; L188-N190 PolarHBondContact O-N 3.01Å; N190-E192 VanDerWaalsContact C-N 3.32Å; N190-E192 PolarHBondContact O-N 3.35Å; N190-E192 VanDerWaalsContact OD1-CB 3.29Å; N190-E192 WeakPolarHBondContact OD1-CB 3.42Å; N190-E192 PolarHBondContact OD1-N 2.95Å; N190-T193 WeakPolarHBondContact O-CB 3.5Å; N190-T193 PolarHBondContact O-N 2.85Å; N190-T193 VanDerWaalsContact O-N 3.13Å; N190-T193 PolarHBondContact OD1-N 3Å; N190-Q194 WeakPolarHBondContact O-CG 3.49Å; N190-Q194 PolarHBondContact O-N 2.85Å; N190-Q194 VanDerWaalsContact O-N 3.12Å
191	E	96.8	Very high	97.5	Very high	53 Å²	53	14.8 Å²	14.8	25%	0.248	7%	0.068	C	C	.	.	H	α-helix	trans	-60.7	-36.4	-177.8	-58.5	-148.8	138	0	0	113.7	C37 L40 R59 R101 T193 Q194 I195	C37-E191 HydrophobicContact CB-CB 4.4Å; L40-E191 HydrophobicContact CD1-CB 4.4Å; L40-E191 HydrophobicContact CD2-CB 3.88Å; L40-E191 HydrophobicContact CG-CB 4.37Å; R59-E191 IonicContact NH1-OE2 3.95Å; R101-E191 IonicContact CZ-OE1 3.49Å; R101-E191 IonicContact CZ-OE2 3.78Å; R101-E191 VanDerWaalsContact NH1-CG 3.31Å; R101-E191 IonicContact NH1-OE1 3.42Å; R101-E191 PolarHBondContact NH1-OE1 2.83Å; R101-E191 IonicContact NH1-OE2 2.88Å; R101-E191 IonicContact NH2-OE1 3.62Å; R101-E191 PolarHBondContact NH2-OE1 2.84Å; R101-E191 IonicContact NH2-OE2 3.84Å; R101-E191 PolarHBondContact NH2-OE2 2.84Å; E191-T193 VanDerWaalsContact C-N 3.26Å; E191-T193 PolarHBondContact O-N 3.35Å; E191-Q194 WeakPolarHBondContact O-CB 3.25Å; E191-Q194 PolarHBondContact O-N 3.38Å; E191-Q194 VanDerWaalsContact O-N 3.13Å; E191-I195 WeakPolarHBondContact O-CG1 3.43Å; E191-I195 PolarHBondContact O-N 2.93Å
192	E	97.8	Very high	97.6	Very high	1 Å²	1	14.9 Å²	14.9	1%	0.005	7%	0.068	C	C	.	.	H	α-helix	trans	-63.9	-36.8	178.5	-176.8	164.2	-166.3	0	0	110.8	H30 G31 L40 P41 T44 N190 I195 N196	H30-E192 WeakPolarHBondContact CA-OE1 3.41Å; H30-E192 WeakPolarHBondContact CB-OE1 3.35Å; H30-E192 IonicContact CD2-OE1 2.6Å; H30-E192 IonicContact CG-OE1 3.82Å; G31-E192 VanDerWaalsContact CA-OE2 3.29Å; G31-E192 WeakPolarHBondContact CA-OE2 3.44Å; G31-E192 PolarHBondContact N-OE1 3.02Å; G31-E192 PolarHBondContact N-OE2 2.79Å; L40-E192 HydrophobicContact CD2-CB 3.86Å; P41-E192 WeakPolarHBondContact CG-OE1 3.49Å; T44-E192 HydrophobicContact CG2-CG 4.07Å; T44-E192 PolarHBondContact OG1-OE1 2.62Å; N190-E192 VanDerWaalsContact C-N 3.32Å; N190-E192 PolarHBondContact O-N 3.35Å; N190-E192 VanDerWaalsContact OD1-CB 3.29Å; N190-E192 WeakPolarHBondContact OD1-CB 3.42Å; N190-E192 PolarHBondContact OD1-N 2.95Å; E192-I195 PolarHBondContact O-N 3.18Å; E192-N196 VanDerWaalsContact CG-ND2 3.29Å; E192-N196 WeakPolarHBondContact CG-ND2 3.43Å; E192-N196 VanDerWaalsContact O-CB 3.31Å; E192-N196 WeakPolarHBondContact O-CB 3.15Å; E192-N196 PolarHBondContact O-N 2.91Å; E192-N196 PolarHBondContact O-ND2 2.89Å
193	T	98.4	Very high	97.7	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-66.8	-41.1	171.9	-58.5	0	0	0	0	112.1	R151 V157 L187 N190 E191 I195 G197 F198	R151-T193 PolarHBondContact NH1-OG1 3.08Å; R151-T193 PolarHBondContact NH2-OG1 3.1Å; V157-T193 HydrophobicContact CB-CG2 4.49Å; V157-T193 HydrophobicContact CG2-CG2 3.65Å; V157-T193 WeakPolarHBondContact CG2-OG1 3.23Å; L187-T193 HydrophobicContact CB-CG2 4.46Å; L187-T193 VanDerWaalsContact O-CB 3.31Å; L187-T193 WeakPolarHBondContact O-CB 3.42Å; L187-T193 WeakPolarHBondContact O-CG2 3.08Å; N190-T193 WeakPolarHBondContact O-CB 3.5Å; N190-T193 PolarHBondContact O-N 2.85Å; N190-T193 VanDerWaalsContact O-N 3.13Å; N190-T193 PolarHBondContact OD1-N 3Å; E191-T193 VanDerWaalsContact C-N 3.26Å; E191-T193 PolarHBondContact O-N 3.35Å; T193-I195 PolarHBondContact O-N 2.89Å; T193-G197 VanDerWaalsContact O-CA 3.28Å; T193-G197 WeakPolarHBondContact O-CA 3.32Å; T193-G197 PolarHBondContact O-N 3.37Å; T193-F198 HydrophobicContact CG2-CD2 4.42Å; T193-F198 HydrophobicContact CG2-CE1 3.83Å; T193-F198 HydrophobicContact CG2-CE2 3.63Å; T193-F198 HydrophobicContact CG2-CZ 3.28Å
194	Q	98	Very high	97.7	Very high	8 Å²	8	14.4 Å²	14.4	4%	0.037	7%	0.066	C	C	.	.	H	α-helix	trans	-60	-36.9	176.8	-61.7	168.5	23.3	0	0	111.6	R98 R101 L188 N190 E191	R98-Q194 HydrophobicContact CG-CG 4.27Å; R101-Q194 VanDerWaalsContact CD-OE1 3.25Å; L188-Q194 HydrophobicContact CD2-CG 4.26Å; L188-Q194 WeakPolarHBondContact O-CG 3.49Å; L188-Q194 PolarHBondContact O-NE2 3.18Å; N190-Q194 WeakPolarHBondContact O-CG 3.49Å; N190-Q194 PolarHBondContact O-N 2.85Å; N190-Q194 VanDerWaalsContact O-N 3.12Å; E191-Q194 WeakPolarHBondContact O-CB 3.25Å; E191-Q194 PolarHBondContact O-N 3.38Å; E191-Q194 VanDerWaalsContact O-N 3.13Å
195	I	97.3	Very high	97.6	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-79.1	-52.1	179.7	-63.3	160.2	0	0	0	110.9	L40 T44 K47 A48 L52 E191 E192 T193 R234	L40-I195 HydrophobicContact CD1-CD1 3.74Å; L40-I195 HydrophobicContact CD2-CD1 3.89Å; L40-I195 HydrophobicContact CG-CD1 4.49Å; T44-I195 HydrophobicContact CG2-CB 3.94Å; T44-I195 HydrophobicContact CG2-CD1 3.82Å; T44-I195 HydrophobicContact CG2-CG2 3.76Å; K47-I195 HydrophobicContact CD-CG2 4.5Å; K47-I195 HydrophobicContact CG-CG2 4.47Å; A48-I195 HydrophobicContact CB-CD1 3.91Å; A48-I195 HydrophobicContact CB-CG1 4.09Å; A48-I195 HydrophobicContact CB-CG2 4.05Å; L52-I195 HydrophobicContact CD1-CB 4.4Å; L52-I195 HydrophobicContact CD1-CG1 4.13Å; L52-I195 HydrophobicContact CD1-CG2 4.22Å; E191-I195 WeakPolarHBondContact O-CG1 3.43Å; E191-I195 PolarHBondContact O-N 2.93Å; E192-I195 PolarHBondContact O-N 3.18Å; T193-I195 PolarHBondContact O-N 2.89Å; I195-R234 PolarHBondContact O-NH1 2.97Å
196	N	97.7	Very high	97.6	Very high	1 Å²	1	18.7 Å²	18.7	1%	0.005	9%	0.094	C	C	.	.	H	α-helix	trans	-78.9	-36.3	-172.6	-69.1	-33.8	0	0	0	112.9	K47 Y154 G155 E192 K236	K47-N196 WeakPolarHBondContact CD-OD1 3.46Å; K47-N196 WeakPolarHBondContact CE-OD1 3.48Å; K47-N196 PolarHBondContact NZ-OD1 2.81Å; Y154-N196 PolarHBondContact O-OD1 3.04Å; G155-N196 VanDerWaalsContact C-CB 3.48Å; G155-N196 WeakPolarHBondContact O-CB 3.48Å; G155-N196 PolarHBondContact O-ND2 3.18Å; E192-N196 VanDerWaalsContact CG-ND2 3.29Å; E192-N196 WeakPolarHBondContact CG-ND2 3.43Å; E192-N196 VanDerWaalsContact O-CB 3.31Å; E192-N196 WeakPolarHBondContact O-CB 3.15Å; E192-N196 PolarHBondContact O-N 2.91Å; E192-N196 PolarHBondContact O-ND2 2.89Å; N196-K236 WeakPolarHBondContact O-CE 3.44Å
197	G	97.9	Very high	97.6	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.08	C	C	.	.			trans	90.4	-157.1	178.9	0	0	0	0	0	113.9	R156 V157 T193 R234	R156-G197 VanDerWaalsContact CA-O 3.27Å; R156-G197 WeakPolarHBondContact CA-O 3.47Å; V157-G197 PolarHBondContact N-O 3.26Å; T193-G197 VanDerWaalsContact O-CA 3.28Å; T193-G197 WeakPolarHBondContact O-CA 3.32Å; T193-G197 PolarHBondContact O-N 3.37Å; G197-R234 CarbonylContact C-O 2.93Å; G197-R234 VanDerWaalsContact CA-O 3.26Å; G197-R234 WeakPolarHBondContact CA-O 3.45Å
198	F	98.6	Very high	97.5	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	152.6	-174.3	-62.2	-96.7	0	0	0	111	V157 M159 L184 L187 L188 T193 A233 R234 F235 K236	V157-F198 HydrophobicContact CB-CD1 3.57Å; V157-F198 HydrophobicContact CB-CE1 3.78Å; V157-F198 HydrophobicContact CB-CG 4.43Å; V157-F198 HydrophobicContact CG1-CD1 3.72Å; V157-F198 HydrophobicContact CG1-CE1 3.85Å; V157-F198 HydrophobicContact CG2-CD1 4.39Å; V157-F198 HydrophobicContact CG2-CE1 4.14Å; V157-F198 CarbonylContact O-C 3.59Å; V157-F198 VanDerWaalsContact O-CA 3.31Å; V157-F198 WeakPolarHBondContact O-CA 3.36Å; M159-F198 HydrophobicContact CG-CD1 4.25Å; M159-F198 HydrophobicContact SD-CD1 4.01Å; L184-F198 HydrophobicContact CD2-CD1 4.07Å; L184-F198 HydrophobicContact CD2-CD2 4.22Å; L184-F198 HydrophobicContact CD2-CE1 3.75Å; L184-F198 HydrophobicContact CD2-CE2 3.9Å; L184-F198 HydrophobicContact CD2-CG 4.3Å; L184-F198 HydrophobicContact CD2-CZ 3.65Å; L187-F198 HydrophobicContact CB-CE1 4.05Å; L187-F198 HydrophobicContact CB-CZ 4.12Å; L187-F198 HydrophobicContact CD1-CE1 4.18Å; L188-F198 HydrophobicContact CD2-CE2 3.92Å; L188-F198 HydrophobicContact CD2-CZ 4.3Å; L188-F198 HydrophobicContact CG-CE2 4.26Å; L188-F198 HydrophobicContact CG-CZ 4.23Å; T193-F198 HydrophobicContact CG2-CD2 4.42Å; T193-F198 HydrophobicContact CG2-CE1 3.83Å; T193-F198 HydrophobicContact CG2-CE2 3.63Å; T193-F198 HydrophobicContact CG2-CZ 3.28Å; F198-A233 HydrophobicContact CD2-CB 3.77Å; F198-A233 HydrophobicContact CE2-CB 3.71Å; F198-R234 PolarHBondContact N-O 3.38Å; F198-F235 HydrophobicContact CB-CD1 3.93Å; F198-F235 HydrophobicContact CB-CE1 4.07Å; F198-F235 HydrophobicContact CG-CE1 4.44Å; F198-K236 PolarHBondContact O-N 3.21Å
199	C	98.2	Very high	97.4	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	141.3	166.9	-176.8	0	0	0	0	108.2	R156 V157 V158 M159 A237 H239	R156-C199 HydrophobicContact CB-CB 4.43Å; V157-C199 PolarHBondContact O-N 3.27Å; V158-C199 CarbonylContact C-O 3.59Å; V158-C199 WeakPolarHBondContact CA-O 3.4Å; M159-C199 PolarHBondContact N-O 2.94Å; C199-A237 WeakPolarHBondContact CA-O 3.41Å; C199-H239 PolarHBondContact SG-CD2 3.28Å
200	I	98.7	Very high	97.3	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	136.4	176.9	-57.5	173.1	0	0	0	108.7	M159 E202 L227 F235 A237 I238 H239	M159-I200 HydrophobicContact CB-CG1 4.32Å; M159-I200 CarbonylContact O-C 3.3Å; M159-I200 WeakPolarHBondContact O-CA 3.24Å; I200-E202 HydrophobicContact CG2-CG 4.05Å; I200-E202 WeakPolarHBondContact CG2-OE1 3.39Å; I200-L227 HydrophobicContact CD1-CD2 3.63Å; I200-F235 HydrophobicContact CD1-CD1 4.03Å; I200-F235 HydrophobicContact CD1-CE1 4.09Å; I200-F235 HydrophobicContact CG1-CD1 4.45Å; I200-A237 PolarHBondContact N-O 2.9Å; I200-I238 HydrophobicContact CB-CG1 4.39Å; I200-I238 HydrophobicContact CB-CG2 4.32Å; I200-I238 HydrophobicContact CD1-CG1 4.45Å; I200-I238 CarbonylContact O-C 3.56Å; I200-I238 WeakPolarHBondContact O-CA 3.35Å; I200-H239 PolarHBondContact O-N 3.15Å
201	I	98.8	Very high	97.1	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	118.3	172.2	-53.2	173.7	0	0	0	108.3	V158 M159 L160 F161 I241 F276 I280 L285 F289	V158-I201 HydrophobicContact CG1-CD1 3.38Å; V158-I201 HydrophobicContact CG1-CG1 3.84Å; M159-I201 PolarHBondContact O-N 3.34Å; L160-I201 HydrophobicContact CD2-CB 3.95Å; L160-I201 HydrophobicContact CD2-CD1 3.97Å; L160-I201 HydrophobicContact CD2-CG1 4.31Å; F161-I201 PolarHBondContact N-O 2.94Å; I201-I241 HydrophobicContact CG2-CD1 4.34Å; I201-F276 HydrophobicContact CD1-CE2 4.17Å; I201-F276 HydrophobicContact CD1-CZ 3.99Å; I201-F276 HydrophobicContact CG1-CE2 4.36Å; I201-F276 HydrophobicContact CG2-CE2 4.29Å; I201-F276 HydrophobicContact CG2-CZ 4.21Å; I201-I280 HydrophobicContact CD1-CG1 4.29Å; I201-I280 HydrophobicContact CD1-CG2 4.06Å; I201-L285 HydrophobicContact CD1-CD2 3.61Å; I201-F289 HydrophobicContact CB-CD1 4.34Å; I201-F289 HydrophobicContact CB-CE1 4.49Å; I201-F289 HydrophobicContact CG2-CD1 3.69Å; I201-F289 HydrophobicContact CG2-CE1 4.15Å
202	E	98.4	Very high	96.9	Very high	7 Å²	7	26.8 Å²	26.8	3%	0.033	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	98.1	-179.4	-64.1	-70.2	170.5	0	0	107.7	F161 I200 F204 I238 H239 F240 I241	F161-E202 WeakPolarHBondContact CB-OE2 3.5Å; F161-E202 WeakPolarHBondContact CD1-OE2 3.24Å; I200-E202 HydrophobicContact CG2-CG 4.05Å; I200-E202 WeakPolarHBondContact CG2-OE1 3.39Å; E202-F204 HydrophobicContact CB-CD1 3.9Å; E202-F204 HydrophobicContact CB-CE1 3.84Å; E202-F204 HydrophobicContact CG-CE1 4.46Å; E202-F204 PolarHBondContact O-N 3.45Å; E202-I238 HydrophobicContact CG-CG2 4.11Å; E202-H239 PolarHBondContact N-O 2.94Å; E202-F240 HydrophobicContact CB-CD1 3.44Å; E202-F240 VanDerWaalsContact CB-CD1 3.44Å; E202-F240 HydrophobicContact CB-CE1 3.58Å; E202-F240 HydrophobicContact CB-CG 4.07Å; E202-F240 HydrophobicContact CB-CZ 4.3Å; E202-F240 HydrophobicContact CG-CD1 4.02Å; E202-F240 HydrophobicContact CG-CE1 3.64Å; E202-F240 HydrophobicContact CG-CZ 3.94Å; E202-F240 WeakPolarHBondContact O-CA 3.19Å; E202-I241 PolarHBondContact O-N 3.38Å
203	N	98.5	Very high	96.7	Very high	7 Å²	7	30.9 Å²	30.9	4%	0.037	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	105.6	169.8	-175.5	5	0	0	0	109.2	F161 N162 I163 K205 I241 D288 F289	F161-N203 PolarHBondContact O-N 2.77Å; N162-N203 HydrophobicContact CB-CB 4.37Å; I163-N203 WeakPolarHBondContact CG2-O 3.46Å; I163-N203 PolarHBondContact N-O 3.01Å; N203-K205 WeakPolarHBondContact OD1-CB 3.39Å; N203-K205 PolarHBondContact OD1-N 2.87Å; N203-I241 HydrophobicContact CB-CD1 4.07Å; N203-I241 HydrophobicContact CB-CG1 4.02Å; N203-D288 PolarHBondContact ND2-O 3.15Å; N203-F289 HydrophobicContact CB-CD1 3.76Å; N203-F289 HydrophobicContact CB-CE1 3.58Å; N203-F289 HydrophobicContact CB-CZ 4.3Å
204	F	98.1	Very high	96.4	Very high	17 Å²	17	33.4 Å²	33.4	8%	0.075	19%	0.194	C	C	.	.			trans	-97.2	13.1	179.6	-88.9	38.5	0	0	0	112.6	I163 E202 G206 F207 F240 I241 Q243 F247	I163-F204 HydrophobicContact CD1-CE1 4.28Å; I163-F204 HydrophobicContact CD1-CZ 4.22Å; I163-F204 HydrophobicContact CG2-CD1 4.28Å; I163-F204 HydrophobicContact CG2-CG 4.43Å; E202-F204 HydrophobicContact CB-CD1 3.9Å; E202-F204 HydrophobicContact CB-CE1 3.84Å; E202-F204 HydrophobicContact CG-CE1 4.46Å; E202-F204 PolarHBondContact O-N 3.45Å; F204-G206 PolarHBondContact O-N 2.91Å; F204-F207 HydrophobicContact CB-CB 4.24Å; F204-F207 HydrophobicContact CD2-CB 4.2Å; F204-F207 AromaticContact CD2-CD1 3.7Å; F204-F207 HydrophobicContact CD2-CD1 3.7Å; F204-F207 HydrophobicContact CD2-CE1 4.17Å; F204-F207 AromaticContact CD2-CG 3.96Å; F204-F207 HydrophobicContact CD2-CG 3.96Å; F204-F207 HydrophobicContact CE2-CD1 4.04Å; F204-F207 HydrophobicContact CE2-CE1 4.08Å; F204-F207 HydrophobicContact CE2-CG 4.33Å; F204-F207 HydrophobicContact CE2-CZ 4.37Å; F204-F207 HydrophobicContact CG-CB 4.39Å; F204-F207 WeakPolarHBondContact O-CB 3.3Å; F204-F207 PolarHBondContact O-N 3.29Å; F204-F240 AromaticContact CD1-CD1 3.96Å; F204-F240 HydrophobicContact CD1-CD1 3.96Å; F204-F240 HydrophobicContact CD1-CE1 4.24Å; F204-F240 HydrophobicContact CD2-CD1 4.2Å; F204-F240 HydrophobicContact CD2-CE1 4.5Å; F204-F240 AromaticContact CE1-CD1 3.93Å; F204-F240 HydrophobicContact CE1-CD1 3.93Å; F204-F240 AromaticContact CE1-CE1 3.72Å; F204-F240 HydrophobicContact CE1-CE1 3.72Å; F204-F240 HydrophobicContact CE2-CD1 4.16Å; F204-F240 HydrophobicContact CE2-CE1 4Å; F204-F240 HydrophobicContact CG-CD1 4.11Å; F204-F240 HydrophobicContact CZ-CD1 4.03Å; F204-F240 AromaticContact CZ-CE1 3.59Å; F204-F240 HydrophobicContact CZ-CE1 3.59Å; F204-I241 PolarHBondContact N-O 3.29Å; F204-Q243 HydrophobicContact CB-CB 3.89Å; F204-Q243 HydrophobicContact CD2-CB 4.41Å; F204-F247 AromaticContact CD2-CD2 3.61Å; F204-F247 HydrophobicContact CD2-CD2 3.61Å; F204-F247 AromaticContact CD2-CE2 3.92Å; F204-F247 HydrophobicContact CD2-CE2 3.92Å; F204-F247 AromaticContact CE2-CD2 3.61Å; F204-F247 HydrophobicContact CE2-CD2 3.61Å; F204-F247 AromaticContact CE2-CE2 3.65Å; F204-F247 HydrophobicContact CE2-CE2 3.65Å; F204-F247 HydrophobicContact CZ-CE2 4.45Å
205	K	96.5	Very high	96.1	Very high	95 Å²	95	34.4 Å²	34.4	41%	0.413	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	134.1	163.2	-166.1	68.3	173.5	-170.9	0	108.6	E164 N203 F207 H242 E271	E164-K205 WeakPolarHBondContact CB-O 3.44Å; N203-K205 WeakPolarHBondContact OD1-CB 3.39Å; N203-K205 PolarHBondContact OD1-N 2.87Å; K205-F207 PolarHBondContact O-N 3.29Å; K205-H242 HydrophobicContact CB-CB 3.83Å; K205-H242 HydrophobicContact CD-CB 3.87Å; K205-H242 HydrophobicContact CG-CB 4.47Å; K205-E271 IonicContact NZ-OE1 2.85Å
206	G	94.5	Very high	95.9	Very high	35 Å²	35	42.4 Å²	42.4	36%	0.361	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.5	4.1	-176.6	0	0	0	0	0	114.8	F204 T208 Q211	F204-G206 PolarHBondContact O-N 2.91Å; G206-T208 WeakPolarHBondContact O-CG2 3.48Å; G206-T208 PolarHBondContact O-N 3.47Å; G206-Q211 PolarHBondContact O-OE1 3.43Å
207	F	96.9	Very high	95.7	Very high	7 Å²	7	45.7 Å²	45.7	3%	0.031	25%	0.25	C	S	.	.			trans	-60.5	121.4	167	-174.4	-140.3	0	0	0	108.8	I163 F204 K205 Q211 A212 L215 P244 Y246	I163-F207 HydrophobicContact CD1-CD2 3.38Å; I163-F207 HydrophobicContact CD1-CE2 3.74Å; I163-F207 HydrophobicContact CD1-CG 4.24Å; I163-F207 HydrophobicContact CG1-CD2 4.22Å; I163-F207 HydrophobicContact CG2-CB 3.74Å; I163-F207 HydrophobicContact CG2-CD2 4.45Å; I163-F207 HydrophobicContact CG2-CG 4.49Å; F204-F207 HydrophobicContact CB-CB 4.24Å; F204-F207 HydrophobicContact CD2-CB 4.2Å; F204-F207 AromaticContact CD2-CD1 3.7Å; F204-F207 HydrophobicContact CD2-CD1 3.7Å; F204-F207 HydrophobicContact CD2-CE1 4.17Å; F204-F207 AromaticContact CD2-CG 3.96Å; F204-F207 HydrophobicContact CD2-CG 3.96Å; F204-F207 HydrophobicContact CE2-CD1 4.04Å; F204-F207 HydrophobicContact CE2-CE1 4.08Å; F204-F207 HydrophobicContact CE2-CG 4.33Å; F204-F207 HydrophobicContact CE2-CZ 4.37Å; F204-F207 HydrophobicContact CG-CB 4.39Å; F204-F207 WeakPolarHBondContact O-CB 3.3Å; F204-F207 PolarHBondContact O-N 3.29Å; K205-F207 PolarHBondContact O-N 3.29Å; F207-Q211 HydrophobicContact CD2-CB 3.93Å; F207-Q211 HydrophobicContact CE2-CB 3.8Å; F207-A212 HydrophobicContact CE1-CB 3.91Å; F207-A212 HydrophobicContact CE2-CB 4.08Å; F207-A212 HydrophobicContact CZ-CB 3.45Å; F207-A212 VanDerWaalsContact CZ-CB 3.45Å; F207-L215 HydrophobicContact CE2-CD1 4.05Å; F207-L215 HydrophobicContact CZ-CD1 3.98Å; F207-P244 HydrophobicContact CB-CG 4.14Å; F207-P244 HydrophobicContact CD1-CG 3.69Å; F207-P244 HydrophobicContact CG-CG 4.36Å; F207-Y246 HydrophobicContact CD1-CD2 4.47Å; F207-Y246 AromaticContact CD1-CE2 3.93Å; F207-Y246 HydrophobicContact CD1-CE2 3.93Å; F207-Y246 HydrophobicContact CE1-CD2 4.36Å; F207-Y246 HydrophobicContact CE1-CE2 4.14Å; F207-Y246 PolarHBondContact O-OH 3.45Å
208	T	96.3	Very high	95.6	Very high	58 Å²	58	48.8 Å²	48.8	36%	0.356	27%	0.272	S	S	.	.			trans	-101.8	156.4	-177.1	65.6	0	0	0	0	111.7	G206 Q210 Q211 A212 Y246	G206-T208 WeakPolarHBondContact O-CG2 3.48Å; G206-T208 PolarHBondContact O-N 3.47Å; T208-Q210 PolarHBondContact O-N 3.35Å; T208-Q211 PolarHBondContact O-N 3.49Å; T208-Q211 WeakPolarHBondContact OG1-CB 3.25Å; T208-Q211 VanDerWaalsContact OG1-CG 3.31Å; T208-Q211 WeakPolarHBondContact OG1-CG 3.45Å; T208-Q211 PolarHBondContact OG1-N 3.14Å; T208-Q211 PolarHBondContact OG1-OE1 3.37Å; T208-A212 PolarHBondContact O-N 3.35Å; T208-Y246 VanDerWaalsContact C-OH 3.26Å; T208-Y246 VanDerWaalsContact CA-OH 3.32Å; T208-Y246 WeakPolarHBondContact CA-OH 3.35Å
209	M	94.8	Very high	95.4	Very high	120 Å²	120	49.5 Å²	49.5	59%	0.591	28%	0.276	S	S	*	.	H	α-helix	trans	-62.2	-29.5	172.1	-66.5	-176.3	72.5	0	0	112.2	A212 A213 Y246	M209-A212 PolarHBondContact O-N 2.94Å; M209-A213 WeakPolarHBondContact O-CB 3.33Å; M209-A213 PolarHBondContact O-N 2.92Å; M209-Y246 HydrophobicContact CG-CD1 3.8Å; M209-Y246 HydrophobicContact CG-CD2 4.24Å; M209-Y246 HydrophobicContact CG-CE1 3.46Å; M209-Y246 VanDerWaalsContact CG-CE1 3.46Å; M209-Y246 HydrophobicContact CG-CE2 3.91Å; M209-Y246 HydrophobicContact CG-CG 4.17Å; M209-Y246 VanDerWaalsContact CG-CZ 3.49Å; M209-Y246 PolarHBondContact N-OH 2.82Å; M209-Y246 VanDerWaalsContact N-OH 3.14Å; M209-Y246 HydrophobicContact SD-CD1 4.34Å; M209-Y246 HydrophobicContact SD-CE1 4.27Å
210	Q	93.6	Very high	95.2	Very high	164 Å²	164	50.4 Å²	50.4	77%	0.766	28%	0.28	S	S	*	.	H	α-helix	trans	-64.9	-47.6	174.5	-177.5	178.8	-0.7	0	0	111	T208 A212 A213 S214	T208-Q210 PolarHBondContact O-N 3.35Å; Q210-A212 VanDerWaalsContact C-N 3.33Å; Q210-A213 PolarHBondContact O-N 3.31Å; Q210-S214 WeakPolarHBondContact O-CB 3.43Å; Q210-S214 PolarHBondContact O-N 3Å; Q210-S214 PolarHBondContact O-OG 3.35Å
211	Q	93.8	Very high	95	Very high	19 Å²	19	56.4 Å²	56.4	9%	0.089	30%	0.303	C	S	.	.	H	α-helix	trans	-61.2	-43.2	173.6	-73.7	165.2	-37.1	0	0	110.9	I163 W166 G206 F207 T208 A213 S214 L215	I163-Q211 PolarHBondContact O-NE2 3.48Å; W166-Q211 PolarHBondContact O-NE2 3.28Å; G206-Q211 PolarHBondContact O-OE1 3.43Å; F207-Q211 HydrophobicContact CD2-CB 3.93Å; F207-Q211 HydrophobicContact CE2-CB 3.8Å; T208-Q211 PolarHBondContact O-N 3.49Å; T208-Q211 WeakPolarHBondContact OG1-CB 3.25Å; T208-Q211 VanDerWaalsContact OG1-CG 3.31Å; T208-Q211 WeakPolarHBondContact OG1-CG 3.45Å; T208-Q211 PolarHBondContact OG1-N 3.14Å; T208-Q211 PolarHBondContact OG1-OE1 3.37Å; Q211-A213 VanDerWaalsContact C-N 3.26Å; Q211-A213 PolarHBondContact O-N 2.86Å; Q211-S214 WeakPolarHBondContact CA-OG 3.4Å; Q211-S214 PolarHBondContact O-N 3.15Å; Q211-S214 VanDerWaalsContact O-N 3.13Å; Q211-S214 PolarHBondContact O-OG 3.41Å; Q211-L215 WeakPolarHBondContact O-CG 2.98Å; Q211-L215 PolarHBondContact O-N 3.39Å; Q211-L215 VanDerWaalsContact O-N 3.08Å
212	A	93.1	Very high	94.9	Very high	24 Å²	24	57.1 Å²	57.1	20%	0.198	31%	0.306	C	S	.	.	H	α-helix	trans	-58.9	-38.3	177.7	0	0	0	0	0	112.7	F207 T208 M209 Q210 Y246	F207-A212 HydrophobicContact CE1-CB 3.91Å; F207-A212 HydrophobicContact CE2-CB 4.08Å; F207-A212 HydrophobicContact CZ-CB 3.45Å; F207-A212 VanDerWaalsContact CZ-CB 3.45Å; T208-A212 PolarHBondContact O-N 3.35Å; M209-A212 PolarHBondContact O-N 2.94Å; Q210-A212 VanDerWaalsContact C-N 3.33Å; A212-Y246 HydrophobicContact CB-CD2 4.33Å; A212-Y246 HydrophobicContact CB-CE2 4.35Å
213	A	92.4	Very high	94.8	Very high	87 Å²	87	58.4 Å²	58.4	72%	0.719	31%	0.312	S	S	*	.	H	α-helix	trans	-78.3	-25.6	177.2	0	0	0	0	0	113.6	M209 Q210 Q211	M209-A213 WeakPolarHBondContact O-CB 3.33Å; M209-A213 PolarHBondContact O-N 2.92Å; Q210-A213 PolarHBondContact O-N 3.31Å; Q211-A213 VanDerWaalsContact C-N 3.26Å; Q211-A213 PolarHBondContact O-N 2.86Å
214	S	92	Very high	94.6	Very high	53 Å²	53	58.3 Å²	58.3	37%	0.371	31%	0.312	S	S	.	.	H	α-helix	trans	-83	-18.1	178.4	69.3	0	0	0	0	113.5	Q210 Q211 R216	Q210-S214 WeakPolarHBondContact O-CB 3.43Å; Q210-S214 PolarHBondContact O-N 3Å; Q210-S214 PolarHBondContact O-OG 3.35Å; Q211-S214 WeakPolarHBondContact CA-OG 3.4Å; Q211-S214 PolarHBondContact O-N 3.15Å; Q211-S214 VanDerWaalsContact O-N 3.13Å; Q211-S214 PolarHBondContact O-OG 3.41Å; S214-R216 PolarHBondContact O-N 2.99Å
215	L	91.7	Very high	94.5	Very high	28 Å²	28	59 Å²	59	15%	0.147	32%	0.317	C	S	.	.			trans	-64.3	116.2	175	-75.5	172.2	0	0	0	110.7	W166 F173 F207 Q211 L220 T250	W166-L215 HydrophobicContact CH2-CD2 4.07Å; W166-L215 HydrophobicContact CZ3-CD2 4.09Å; F173-L215 HydrophobicContact CD2-CD2 4.21Å; F173-L215 HydrophobicContact CE2-CD2 4.16Å; F207-L215 HydrophobicContact CE2-CD1 4.05Å; F207-L215 HydrophobicContact CZ-CD1 3.98Å; Q211-L215 WeakPolarHBondContact O-CG 2.98Å; Q211-L215 PolarHBondContact O-N 3.39Å; Q211-L215 VanDerWaalsContact O-N 3.08Å; L215-L220 HydrophobicContact CB-CD1 4.45Å; L215-L220 HydrophobicContact CD1-CD2 4.46Å; L215-L220 HydrophobicContact CD2-CD2 4.46Å; L215-T250 HydrophobicContact CD1-CG2 4.08Å
216	R	93.8	Very high	94.4	Very high	169 Å²	169	54.6 Å²	54.6	64%	0.638	30%	0.297	S	S	*	.			trans	-82	137	177.2	-56.1	175.8	176.8	148.4	-1.5	109.7	S214 S218 D219 L220	S214-R216 PolarHBondContact O-N 2.99Å; R216-S218 WeakPolarHBondContact CB-OG 3.31Å; R216-S218 PolarHBondContact O-N 3.09Å; R216-S218 VanDerWaalsContact O-N 3.17Å; R216-D219 HydrophobicContact CB-CB 4.42Å; R216-D219 WeakPolarHBondContact CB-OD2 3.14Å; R216-D219 PolarHBondContact O-N 2.92Å; R216-L220 PolarHBondContact O-N 3.44Å; R216-L220 VanDerWaalsContact O-N 3.14Å
217	T	94.1	Very high	94.4	Very high	70 Å²	70	53.8 Å²	53.8	43%	0.429	29%	0.285	S	S	.	.	H	α-helix	trans	-57.5	-31.2	174.8	-51	0	0	0	0	112.4	D219 R221 V253 F257	T217-D219 VanDerWaalsContact C-N 3.32Å; T217-D219 PolarHBondContact O-N 2.88Å; T217-R221 WeakPolarHBondContact O-CB 3.33Å; T217-R221 PolarHBondContact O-N 2.88Å; T217-V253 HydrophobicContact CG2-CG1 3.91Å; T217-F257 HydrophobicContact CG2-CE2 3.78Å; T217-F257 HydrophobicContact CG2-CZ 3.77Å
218	S	94.6	Very high	94.1	Very high	65 Å²	65	54.4 Å²	54.4	46%	0.455	29%	0.288	S	S	.	.	H	α-helix	trans	-59.2	-42.4	173.3	52.2	0	0	0	0	112.3	R216 R221 K222	R216-S218 WeakPolarHBondContact CB-OG 3.31Å; R216-S218 PolarHBondContact O-N 3.09Å; R216-S218 VanDerWaalsContact O-N 3.17Å; S218-R221 PolarHBondContact O-N 3.39Å; S218-K222 WeakPolarHBondContact O-CG 3.44Å; S218-K222 PolarHBondContact O-N 3.19Å
219	D	94.2	Very high	93.6	Very high	15 Å²	15	54.6 Å²	54.6	8%	0.08	29%	0.287	C	S	.	.	H	α-helix	trans	-76.1	-40.7	-173.7	-56.2	-10.1	0	0	0	109.8	F173 R216 T217 R221 K222 M223	F173-D219 HydrophobicContact CB-CB 4.28Å; F173-D219 HydrophobicContact CD1-CB 3.67Å; F173-D219 HydrophobicContact CE1-CB 4.07Å; F173-D219 VanDerWaalsContact CE1-O 3.25Å; F173-D219 WeakPolarHBondContact CE1-O 3.37Å; F173-D219 HydrophobicContact CG-CB 3.91Å; R216-D219 HydrophobicContact CB-CB 4.42Å; R216-D219 WeakPolarHBondContact CB-OD2 3.14Å; R216-D219 PolarHBondContact O-N 2.92Å; T217-D219 VanDerWaalsContact C-N 3.32Å; T217-D219 PolarHBondContact O-N 2.88Å; D219-R221 VanDerWaalsContact C-N 3.29Å; D219-R221 PolarHBondContact O-N 3.38Å; D219-K222 WeakPolarHBondContact O-CB 3.34Å; D219-K222 PolarHBondContact O-N 3.23Å; D219-K222 VanDerWaalsContact O-N 3.17Å; D219-M223 PolarHBondContact O-N 2.91Å
220	L	94.6	Very high	93.4	Very high	18 Å²	18	49.3 Å²	49.3	9%	0.094	26%	0.261	C	S	.	.	H	α-helix	trans	-59.9	-40.5	171.1	-64.6	175	0	0	0	111.7	L215 R216 M223 V224 T250 V253 V254	L215-L220 HydrophobicContact CB-CD1 4.45Å; L215-L220 HydrophobicContact CD1-CD2 4.46Å; L215-L220 HydrophobicContact CD2-CD2 4.46Å; R216-L220 PolarHBondContact O-N 3.44Å; R216-L220 VanDerWaalsContact O-N 3.14Å; L220-M223 PolarHBondContact O-N 3.01Å; L220-V224 WeakPolarHBondContact O-CG2 3.49Å; L220-V224 PolarHBondContact O-N 2.69Å; L220-T250 HydrophobicContact CD1-CG2 4.5Å; L220-V253 HydrophobicContact CD1-CG1 4.21Å; L220-V254 HydrophobicContact CB-CG2 4.04Å; L220-V254 HydrophobicContact CD1-CG2 3.78Å; L220-V254 HydrophobicContact CD2-CG2 4.16Å; L220-V254 HydrophobicContact CG-CG2 4.21Å
221	R	95.1	Very high	93.5	Very high	126 Å²	126	41.8 Å²	41.8	48%	0.475	23%	0.226	S	C	.	.	H	α-helix	trans	-64.7	-42.2	174.9	-177.5	175.5	174.3	-177	1.2	111.7	T217 S218 D219 M223 V224 D225	T217-R221 WeakPolarHBondContact O-CB 3.33Å; T217-R221 PolarHBondContact O-N 2.88Å; S218-R221 PolarHBondContact O-N 3.39Å; D219-R221 VanDerWaalsContact C-N 3.29Å; D219-R221 PolarHBondContact O-N 3.38Å; R221-M223 VanDerWaalsContact C-N 3.31Å; R221-M223 PolarHBondContact O-N 2.96Å; R221-V224 PolarHBondContact O-N 2.82Å; R221-V224 VanDerWaalsContact O-N 3.14Å; R221-D225 IonicContact NE-OD2 3.8Å; R221-D225 WeakPolarHBondContact O-CB 3.45Å; R221-D225 PolarHBondContact O-N 3.14Å
222	K	95.8	Very high	93.5	Very high	16 Å²	16	41 Å²	41	7%	0.07	22%	0.223	C	C	.	.	H	α-helix	trans	-55.3	-46	173.6	-74.2	-170.3	-114.8	-174.1	0	112	Y124 E126 D174 L177 S218 D219 D225 M226	Y124-K222 HydrophobicContact CD1-CD 3.74Å; Y124-K222 HydrophobicContact CD1-CG 3.71Å; Y124-K222 HydrophobicContact CE1-CD 3.95Å; Y124-K222 HydrophobicContact CE1-CG 3.41Å; Y124-K222 VanDerWaalsContact CE1-CG 3.41Å; Y124-K222 HydrophobicContact CE2-CG 4.46Å; Y124-K222 HydrophobicContact CG-CD 4.38Å; Y124-K222 HydrophobicContact CG-CG 4.36Å; E126-K222 IonicContact OE1-NZ 3.06Å; E126-K222 PolarHBondContact OE1-NZ 3.49Å; D174-K222 VanDerWaalsContact CG-NZ 3.28Å; D174-K222 WeakPolarHBondContact OD1-CE 3.42Å; D174-K222 IonicContact OD1-NZ 3.55Å; D174-K222 PolarHBondContact OD1-NZ 2.88Å; D174-K222 IonicContact OD2-NZ 2.78Å; D174-K222 PolarHBondContact OD2-NZ 3.02Å; D174-K222 VanDerWaalsContact OD2-NZ 3.15Å; L177-K222 HydrophobicContact CD1-CB 3.56Å; L177-K222 HydrophobicContact CD1-CD 4.31Å; S218-K222 WeakPolarHBondContact O-CG 3.44Å; S218-K222 PolarHBondContact O-N 3.19Å; D219-K222 WeakPolarHBondContact O-CB 3.34Å; D219-K222 PolarHBondContact O-N 3.23Å; D219-K222 VanDerWaalsContact O-N 3.17Å; K222-D225 PolarHBondContact O-N 3.01Å; K222-M226 WeakPolarHBondContact O-CB 3.26Å; K222-M226 PolarHBondContact O-N 2.95Å
223	M	95.9	Very high	93.5	Very high	34 Å²	34	40.5 Å²	40.5	17%	0.167	22%	0.218	C	C	.	.	H	α-helix	trans	-62.1	-43.9	176.3	-170.1	179.6	-172.5	0	0	111.7	F173 L177 D219 L220 R221 M226 L227	F173-M223 HydrophobicContact CE1-CB 4.02Å; F173-M223 HydrophobicContact CZ-CB 4.01Å; F173-M223 HydrophobicContact CZ-CG 4.47Å; F173-M223 HydrophobicContact CZ-SD 3.96Å; L177-M223 HydrophobicContact CD2-CB 4.09Å; L177-M223 HydrophobicContact CD2-CG 4.22Å; D219-M223 PolarHBondContact O-N 2.91Å; L220-M223 PolarHBondContact O-N 3.01Å; R221-M223 VanDerWaalsContact C-N 3.31Å; R221-M223 PolarHBondContact O-N 2.96Å; M223-M226 HydrophobicContact CG-CE 4.28Å; M223-M226 WeakPolarHBondContact O-CB 3.44Å; M223-M226 PolarHBondContact O-N 3.45Å; M223-L227 HydrophobicContact CG-CD1 4.2Å; M223-L227 VanDerWaalsContact O-CG 3.24Å; M223-L227 WeakPolarHBondContact O-CG 3.36Å; M223-L227 PolarHBondContact O-N 3.21Å
224	V	95.4	Very high	93.6	Very high	4 Å²	4	37.9 Å²	37.9	2%	0.024	19%	0.19	C	C	.	.	H	α-helix	trans	-62.3	-44.2	177.2	170.4	0	0	0	0	111.8	L220 R221 M226 L227 Q228 V254 F257 L258	L220-V224 WeakPolarHBondContact O-CG2 3.49Å; L220-V224 PolarHBondContact O-N 2.69Å; R221-V224 PolarHBondContact O-N 2.82Å; R221-V224 VanDerWaalsContact O-N 3.14Å; V224-M226 VanDerWaalsContact C-N 3.35Å; V224-L227 PolarHBondContact O-N 3.26Å; V224-Q228 HydrophobicContact CG1-CG 4.34Å; V224-Q228 VanDerWaalsContact CG1-NE2 3.26Å; V224-Q228 WeakPolarHBondContact O-CB 3.34Å; V224-Q228 WeakPolarHBondContact O-CG 3.5Å; V224-Q228 PolarHBondContact O-N 3.02Å; V224-V254 HydrophobicContact CG2-CG1 3.49Å; V224-V254 VanDerWaalsContact CG2-CG1 3.49Å; V224-F257 HydrophobicContact CB-CB 4.26Å; V224-F257 HydrophobicContact CG1-CB 3.79Å; V224-F257 WeakPolarHBondContact CG1-O 3.45Å; V224-F257 HydrophobicContact CG2-CB 4.29Å; V224-L258 HydrophobicContact CB-CD2 4.42Å; V224-L258 HydrophobicContact CG1-CD2 3.89Å; V224-L258 HydrophobicContact CG2-CD2 3.7Å; V224-L258 HydrophobicContact CG2-CG 4.49Å
225	D	95.2	Very high	93.8	Very high	33 Å²	33	35.9 Å²	35.9	18%	0.176	18%	0.175	C	C	.	.	H	α-helix	trans	-63.9	-42.9	179.2	-69.8	-22	0	0	0	109.8	F120 Y124 R221 K222 L227 Q228 S230	F120-D225 HydrophobicContact CD2-CB 4.33Å; F120-D225 HydrophobicContact CE2-CB 4.24Å; Y124-D225 HydrophobicContact CE2-CB 4.27Å; Y124-D225 PolarHBondContact OH-OD2 3.37Å; R221-D225 IonicContact NE-OD2 3.8Å; R221-D225 WeakPolarHBondContact O-CB 3.45Å; R221-D225 PolarHBondContact O-N 3.14Å; K222-D225 PolarHBondContact O-N 3.01Å; D225-L227 VanDerWaalsContact C-N 3.31Å; D225-L227 PolarHBondContact O-N 3.31Å; D225-Q228 CarbonylContact O-C 3.45Å; D225-Q228 PolarHBondContact O-N 3.17Å; D225-Q228 VanDerWaalsContact O-O 3.06Å; D225-S230 WeakPolarHBondContact O-CB 3.31Å; D225-S230 PolarHBondContact O-OG 3.39Å
226	M	95.4	Very high	94.1	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.005	18%	0.177	C	C	.	.	H	α-helix	trans	-53.9	-44.2	171.4	178.7	-179.2	72.8	0	0	112.8	F120 L177 Y180 L184 K222 M223 V224 Q228 F231	F120-M226 HydrophobicContact CE2-CB 4.01Å; F120-M226 HydrophobicContact CZ-CB 3.85Å; F120-M226 HydrophobicContact CZ-CG 4.45Å; L177-M226 HydrophobicContact CD2-CE 3.65Å; L177-M226 HydrophobicContact CD2-SD 3.93Å; Y180-M226 VanDerWaalsContact CB-SD 3.57Å; Y180-M226 HydrophobicContact CD1-CE 4.03Å; Y180-M226 HydrophobicContact CD2-CE 4.19Å; Y180-M226 HydrophobicContact CG-CE 3.76Å; Y180-M226 HydrophobicContact CG-SD 4.25Å; L184-M226 HydrophobicContact CD1-SD 4.47Å; K222-M226 WeakPolarHBondContact O-CB 3.26Å; K222-M226 PolarHBondContact O-N 2.95Å; M223-M226 HydrophobicContact CG-CE 4.28Å; M223-M226 WeakPolarHBondContact O-CB 3.44Å; M223-M226 PolarHBondContact O-N 3.45Å; V224-M226 VanDerWaalsContact C-N 3.35Å; M226-Q228 VanDerWaalsContact C-N 3.29Å; M226-Q228 PolarHBondContact O-N 2.96Å; M226-F231 HydrophobicContact CG-CD2 3.89Å; M226-F231 HydrophobicContact CG-CE2 3.71Å
227	L	93.4	Very high	94.2	Very high	18 Å²	18	28.7 Å²	28.7	9%	0.094	15%	0.147	C	C	.	.	H	α-helix	trans	-74.7	-17	-179.3	-64.4	171.4	0	0	0	113.3	I200 M223 V224 D225 F235 I238 L262	I200-L227 HydrophobicContact CD1-CD2 3.63Å; M223-L227 HydrophobicContact CG-CD1 4.2Å; M223-L227 VanDerWaalsContact O-CG 3.24Å; M223-L227 WeakPolarHBondContact O-CG 3.36Å; M223-L227 PolarHBondContact O-N 3.21Å; V224-L227 PolarHBondContact O-N 3.26Å; D225-L227 VanDerWaalsContact C-N 3.31Å; D225-L227 PolarHBondContact O-N 3.31Å; L227-F235 HydrophobicContact CB-CD2 4.34Å; L227-F235 HydrophobicContact CB-CE2 4.46Å; L227-F235 HydrophobicContact CD2-CD1 3.7Å; L227-F235 HydrophobicContact CD2-CD2 3.96Å; L227-F235 HydrophobicContact CD2-CE1 3.55Å; L227-F235 HydrophobicContact CD2-CE2 3.81Å; L227-F235 HydrophobicContact CD2-CG 3.91Å; L227-F235 HydrophobicContact CD2-CZ 3.61Å; L227-F235 WeakPolarHBondContact O-CD2 3.46Å; L227-I238 HydrophobicContact CD1-CD1 3.89Å; L227-L262 HydrophobicContact CB-CD2 3.98Å
228	Q	91	Very high	94.4	Very high	21 Å²	21	25.9 Å²	25.9	10%	0.098	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.2	101.1	-173.2	-62.6	-170.5	136.7	0	0	112.4	V224 D225 M226 S230 F257 L262	V224-Q228 HydrophobicContact CG1-CG 4.34Å; V224-Q228 VanDerWaalsContact CG1-NE2 3.26Å; V224-Q228 WeakPolarHBondContact O-CB 3.34Å; V224-Q228 WeakPolarHBondContact O-CG 3.5Å; V224-Q228 PolarHBondContact O-N 3.02Å; D225-Q228 CarbonylContact O-C 3.45Å; D225-Q228 PolarHBondContact O-N 3.17Å; D225-Q228 VanDerWaalsContact O-O 3.06Å; M226-Q228 VanDerWaalsContact C-N 3.29Å; M226-Q228 PolarHBondContact O-N 2.96Å; Q228-S230 PolarHBondContact O-N 3.27Å; Q228-F257 PolarHBondContact NE2-O 3.05Å; Q228-L262 HydrophobicContact CG-CB 4.47Å; Q228-L262 HydrophobicContact CG-CD2 3.44Å; Q228-L262 VanDerWaalsContact CG-CD2 3.44Å
229	D	86.2	Confident	94.6	Very high	62 Å²	62	23 Å²	23	33%	0.332	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.2	16.5	170	-49.9	-34.2	0	0	0	115.4	R103 L113 G116 K259	R103-D229 IonicContact CZ-OD1 2.82Å; R103-D229 IonicContact NH1-OD1 3Å; R103-D229 VanDerWaalsContact NH2-CG 3.32Å; R103-D229 IonicContact NH2-OD1 2.71Å; R103-D229 PolarHBondContact NH2-OD1 3.02Å; L113-D229 HydrophobicContact CD1-CB 4.38Å; L113-D229 WeakPolarHBondContact CD1-O 3.48Å; G116-D229 CarbonylContact C-O 3.59Å; D229-K259 IonicContact OD2-NZ 3Å; D229-K259 PolarHBondContact OD2-NZ 2.93Å
230	S	91.1	Very high	94.8	Very high	9 Å²	9	23.5 Å²	23.5	6%	0.063	11%	0.11	C	C	.	.	S	Bend	trans	-103.7	-21.1	173.8	-64.8	0	0	0	0	114.8	Y117 F120 D225 Q228	Y117-S230 VanDerWaalsContact CA-O 3.25Å; Y117-S230 WeakPolarHBondContact CA-O 3.38Å; Y117-S230 WeakPolarHBondContact CB-O 3.49Å; Y117-S230 WeakPolarHBondContact CD2-O 3.48Å; F120-S230 WeakPolarHBondContact CB-OG 3.28Å; F120-S230 VanDerWaalsContact CD2-OG 3.25Å; F120-S230 WeakPolarHBondContact CD2-OG 3.5Å; D225-S230 WeakPolarHBondContact O-CB 3.31Å; D225-S230 PolarHBondContact O-OG 3.39Å; Q228-S230 PolarHBondContact O-N 3.27Å
231	F	93.9	Very high	95	Very high	5 Å²	5	22.7 Å²	22.7	2%	0.022	11%	0.106	C	C	.	.	S	Bend	trans	-125.6	149	175	-74.6	-93.7	0	0	0	110.3	Y117 F120 C181 L184 E185 M226 A233	Y117-F231 HydrophobicContact CE2-CD1 4.38Å; Y117-F231 HydrophobicContact CE2-CE1 4.48Å; F120-F231 HydrophobicContact CD1-CE2 4.16Å; F120-F231 AromaticContact CE1-CE2 3.93Å; F120-F231 HydrophobicContact CE1-CE2 3.93Å; F120-F231 HydrophobicContact CE1-CZ 4.4Å; C181-F231 HydrophobicContact CB-CE1 4.46Å; C181-F231 HydrophobicContact CB-CZ 3.88Å; C181-F231 VanDerWaalsContact SG-CZ 3.53Å; L184-F231 HydrophobicContact CB-CD1 4.1Å; L184-F231 HydrophobicContact CB-CE1 4.34Å; L184-F231 HydrophobicContact CD1-CD1 4.25Å; L184-F231 HydrophobicContact CD1-CD2 4.23Å; L184-F231 HydrophobicContact CD1-CG 4.09Å; E185-F231 HydrophobicContact CG-CE1 4.46Å; E185-F231 WeakPolarHBondContact OE1-CE1 3.44Å; M226-F231 HydrophobicContact CG-CD2 3.89Å; M226-F231 HydrophobicContact CG-CE2 3.71Å; F231-A233 HydrophobicContact CB-CB 4.19Å; F231-A233 PolarHBondContact O-N 2.97Å
232	P	95	Very high	95.2	Very high	4 Å²	4	18.2 Å²	18.2	3%	0.026	9%	0.09	C	C	.	.	S	Bend	trans	-75.4	43.6	172	33.6	-33.7	0	0	0	112.5	R98 F99 A102 L113 L188	R98-P232 HydrophobicContact CB-CB 3.86Å; R98-P232 HydrophobicContact CB-CG 3.8Å; F99-P232 HydrophobicContact CD1-CB 4.06Å; F99-P232 HydrophobicContact CD1-CG 4.48Å; F99-P232 HydrophobicContact CD2-CB 4.26Å; F99-P232 HydrophobicContact CD2-CG 4.3Å; F99-P232 HydrophobicContact CE1-CB 4.13Å; F99-P232 HydrophobicContact CE1-CG 4.1Å; F99-P232 HydrophobicContact CE2-CB 4.31Å; F99-P232 HydrophobicContact CE2-CG 3.89Å; F99-P232 HydrophobicContact CG-CB 4.1Å; F99-P232 HydrophobicContact CZ-CB 4.26Å; F99-P232 HydrophobicContact CZ-CG 3.79Å; A102-P232 HydrophobicContact CB-CB 4.15Å; L113-P232 HydrophobicContact CD2-CB 4.17Å; L188-P232 HydrophobicContact CD1-CG 4.03Å; L188-P232 WeakPolarHBondContact CD2-O 3.3Å
233	A	93.4	Very high	95.3	Very high	12 Å²	12	19.3 Å²	19.3	10%	0.099	10%	0.096	C	C	.	.			trans	-104.2	150.3	178.3	0	0	0	0	0	111.1	L184 L188 F198 F231 F235	L184-A233 HydrophobicContact CD2-CB 4.36Å; L188-A233 HydrophobicContact CD1-CB 4.45Å; L188-A233 HydrophobicContact CD2-CB 4.43Å; F198-A233 HydrophobicContact CD2-CB 3.77Å; F198-A233 HydrophobicContact CE2-CB 3.71Å; F231-A233 HydrophobicContact CB-CB 4.19Å; F231-A233 PolarHBondContact O-N 2.97Å; A233-F235 HydrophobicContact CB-CD2 4.39Å; A233-F235 HydrophobicContact CB-CE2 3.82Å; A233-F235 HydrophobicContact CB-CZ 4.02Å
234	R	94.5	Very high	95.4	Very high	33 Å²	33	19.1 Å²	19.1	13%	0.125	10%	0.097	C	C	.	.			trans	-107.4	90.1	173	-56.6	175.8	82.6	-153.3	7.2	108.9	E51 L52 I195 G197 F198 K236	E51-R234 IonicContact OE2-CZ 2.68Å; E51-R234 IonicContact OE2-NH1 3.77Å; E51-R234 PolarHBondContact OE2-NH1 3.18Å; E51-R234 IonicContact OE2-NH2 3.55Å; E51-R234 PolarHBondContact OE2-NH2 3.03Å; L52-R234 VanDerWaalsContact CD2-CZ 3.49Å; I195-R234 PolarHBondContact O-NH1 2.97Å; G197-R234 CarbonylContact C-O 2.93Å; G197-R234 VanDerWaalsContact CA-O 3.26Å; G197-R234 WeakPolarHBondContact CA-O 3.45Å; F198-R234 PolarHBondContact N-O 3.38Å; R234-K236 VanDerWaalsContact CZ-NZ 3.28Å; R234-K236 VanDerWaalsContact NH2-NZ 3.17Å; R234-K236 PolarHBondContact O-N 3.24Å; R234-K236 VanDerWaalsContact O-N 3.15Å
235	F	96.1	Very high	95.4	Very high	11 Å²	11	28.7 Å²	28.7	5%	0.048	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	104.7	172.7	-64.5	-75.3	0	0	0	110.2	L184 F198 I200 L227 A233 R265	L184-F235 HydrophobicContact CD1-CZ 4.03Å; L184-F235 HydrophobicContact CD2-CE1 4.31Å; L184-F235 HydrophobicContact CD2-CZ 4Å; F198-F235 HydrophobicContact CB-CD1 3.93Å; F198-F235 HydrophobicContact CB-CE1 4.07Å; F198-F235 HydrophobicContact CG-CE1 4.44Å; I200-F235 HydrophobicContact CD1-CD1 4.03Å; I200-F235 HydrophobicContact CD1-CE1 4.09Å; I200-F235 HydrophobicContact CG1-CD1 4.45Å; L227-F235 HydrophobicContact CB-CD2 4.34Å; L227-F235 HydrophobicContact CB-CE2 4.46Å; L227-F235 HydrophobicContact CD2-CD1 3.7Å; L227-F235 HydrophobicContact CD2-CD2 3.96Å; L227-F235 HydrophobicContact CD2-CE1 3.55Å; L227-F235 HydrophobicContact CD2-CE2 3.81Å; L227-F235 HydrophobicContact CD2-CG 3.91Å; L227-F235 HydrophobicContact CD2-CZ 3.61Å; L227-F235 WeakPolarHBondContact O-CD2 3.46Å; A233-F235 HydrophobicContact CB-CD2 4.39Å; A233-F235 HydrophobicContact CB-CE2 3.82Å; A233-F235 HydrophobicContact CB-CZ 4.02Å; F235-R265 VanDerWaalsContact O-CD 3.25Å; F235-R265 WeakPolarHBondContact O-CD 3.41Å; F235-R265 PolarHBondContact O-NH1 2.94Å
236	K	96.8	Very high	95.4	Very high	44 Å²	44	28.8 Å²	28.8	19%	0.191	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	-28.7	-171.7	-66.3	-72	-162.5	152.1	0	113	E51 N196 F198 R234 R265	E51-K236 IonicContact OE2-NZ 2.84Å; E51-K236 PolarHBondContact OE2-NZ 3.39Å; N196-K236 WeakPolarHBondContact O-CE 3.44Å; F198-K236 PolarHBondContact O-N 3.21Å; R234-K236 VanDerWaalsContact CZ-NZ 3.28Å; R234-K236 VanDerWaalsContact NH2-NZ 3.17Å; R234-K236 PolarHBondContact O-N 3.24Å; R234-K236 VanDerWaalsContact O-N 3.15Å; K236-R265 WeakPolarHBondContact O-CG 3.5Å
237	A	97.6	Very high	95.4	Very high	2 Å²	2	29.2 Å²	29.2	2%	0.017	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	150.1	178.4	0	0	0	0	0	111.1	C199 I200 H239 R265 F267	C199-A237 WeakPolarHBondContact CA-O 3.41Å; I200-A237 PolarHBondContact N-O 2.9Å; A237-H239 WeakPolarHBondContact CB-NE2 3.45Å; A237-R265 CarbonylContact C-O 3.43Å; A237-R265 WeakPolarHBondContact CA-O 3.26Å; A237-F267 HydrophobicContact CB-CD2 4.06Å; A237-F267 HydrophobicContact CB-CE2 3.78Å
238	I	98.3	Very high	95.4	Very high	11 Å²	11	32.3 Å²	32.3	6%	0.056	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	115.8	168.5	-55	176	0	0	0	106.2	I200 E202 L227 F240 L262 R265 V266 F267	I200-I238 HydrophobicContact CB-CG1 4.39Å; I200-I238 HydrophobicContact CB-CG2 4.32Å; I200-I238 HydrophobicContact CD1-CG1 4.45Å; I200-I238 CarbonylContact O-C 3.56Å; I200-I238 WeakPolarHBondContact O-CA 3.35Å; E202-I238 HydrophobicContact CG-CG2 4.11Å; L227-I238 HydrophobicContact CD1-CD1 3.89Å; I238-F240 HydrophobicContact CG2-CD2 4.29Å; I238-F240 HydrophobicContact CG2-CE2 3.67Å; I238-F240 HydrophobicContact CG2-CZ 4.14Å; I238-L262 HydrophobicContact CD1-CD1 3.92Å; I238-R265 PolarHBondContact N-O 3.34Å; I238-V266 HydrophobicContact CD1-CG2 4.49Å; I238-F267 PolarHBondContact O-N 3.26Å
239	H	98.6	Very high	95.6	Very high	3 Å²	3	35.7 Å²	35.7	1%	0.014	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	118.7	-177.1	-63.3	-68.4	0	0	0	110.2	C199 I200 E202 A237 F267 H269 F276	C199-H239 PolarHBondContact SG-CD2 3.28Å; I200-H239 PolarHBondContact O-N 3.15Å; E202-H239 PolarHBondContact N-O 2.94Å; A237-H239 WeakPolarHBondContact CB-NE2 3.45Å; H239-F267 WeakPolarHBondContact CA-O 3.4Å; H239-F267 AromaticContact CE1-CD2 3.53Å; H239-F267 AromaticContact CE1-CG 3.98Å; H239-F267 WeakPolarHBondContact ND1-CB 3.28Å; H239-F267 AromaticContact ND1-CD2 3.61Å; H239-F267 AromaticContact ND1-CG 3.81Å; H239-H269 AromaticContact CG-NE2 3.59Å; H239-H269 AromaticContact ND1-CE1 3.72Å; H239-H269 AromaticContact ND1-NE2 3Å; H239-H269 PolarHBondContact ND1-NE2 2.81Å; H239-F276 HydrophobicContact CB-CD2 4.15Å; H239-F276 HydrophobicContact CB-CE2 4.05Å
240	F	98.6	Very high	95.9	Very high	27 Å²	27	33.5 Å²	33.5	12%	0.118	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	126.6	168.9	-68.2	-90.2	0	0	0	109.7	E202 F204 I238 F247 V266 F267 V268 H269	E202-F240 HydrophobicContact CB-CD1 3.44Å; E202-F240 VanDerWaalsContact CB-CD1 3.44Å; E202-F240 HydrophobicContact CB-CE1 3.58Å; E202-F240 HydrophobicContact CB-CG 4.07Å; E202-F240 HydrophobicContact CB-CZ 4.3Å; E202-F240 HydrophobicContact CG-CD1 4.02Å; E202-F240 HydrophobicContact CG-CE1 3.64Å; E202-F240 HydrophobicContact CG-CZ 3.94Å; E202-F240 WeakPolarHBondContact O-CA 3.19Å; F204-F240 AromaticContact CD1-CD1 3.96Å; F204-F240 HydrophobicContact CD1-CD1 3.96Å; F204-F240 HydrophobicContact CD1-CE1 4.24Å; F204-F240 HydrophobicContact CD2-CD1 4.2Å; F204-F240 HydrophobicContact CD2-CE1 4.5Å; F204-F240 AromaticContact CE1-CD1 3.93Å; F204-F240 HydrophobicContact CE1-CD1 3.93Å; F204-F240 AromaticContact CE1-CE1 3.72Å; F204-F240 HydrophobicContact CE1-CE1 3.72Å; F204-F240 HydrophobicContact CE2-CD1 4.16Å; F204-F240 HydrophobicContact CE2-CE1 4Å; F204-F240 HydrophobicContact CG-CD1 4.11Å; F204-F240 HydrophobicContact CZ-CD1 4.03Å; F204-F240 AromaticContact CZ-CE1 3.59Å; F204-F240 HydrophobicContact CZ-CE1 3.59Å; I238-F240 HydrophobicContact CG2-CD2 4.29Å; I238-F240 HydrophobicContact CG2-CE2 3.67Å; I238-F240 HydrophobicContact CG2-CZ 4.14Å; F240-F247 HydrophobicContact CB-CZ 4.4Å; F240-F247 AromaticContact CD1-CE2 3.59Å; F240-F247 HydrophobicContact CD1-CE2 3.59Å; F240-F247 AromaticContact CD1-CZ 3.69Å; F240-F247 HydrophobicContact CD1-CZ 3.69Å; F240-F247 AromaticContact CD2-CZ 3.93Å; F240-F247 HydrophobicContact CD2-CZ 3.93Å; F240-F247 AromaticContact CE1-CE2 3.63Å; F240-F247 HydrophobicContact CE1-CE2 3.63Å; F240-F247 AromaticContact CE1-CZ 3.86Å; F240-F247 HydrophobicContact CE1-CZ 3.86Å; F240-F247 HydrophobicContact CE2-CZ 4.08Å; F240-F247 HydrophobicContact CG-CE1 4.5Å; F240-F247 HydrophobicContact CG-CE2 4.12Å; F240-F247 AromaticContact CG-CZ 3.72Å; F240-F247 HydrophobicContact CG-CZ 3.72Å; F240-F247 HydrophobicContact CZ-CE2 4.18Å; F240-F247 HydrophobicContact CZ-CZ 4.05Å; F240-V266 HydrophobicContact CD2-CG1 3.87Å; F240-V266 HydrophobicContact CE2-CG1 3.72Å; F240-F267 PolarHBondContact N-O 3.37Å; F240-V268 HydrophobicContact CB-CG2 4.4Å; F240-V268 HydrophobicContact CD2-CG2 4.34Å; F240-H269 PolarHBondContact O-CD2 3.32Å; F240-H269 PolarHBondContact O-N 3.09Å
241	I	98.5	Very high	96	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	148.5	174.9	62.6	174.7	0	0	0	110.3	I201 E202 N203 F204 Q243 H269 L273 F276 F289	I201-I241 HydrophobicContact CG2-CD1 4.34Å; E202-I241 PolarHBondContact O-N 3.38Å; N203-I241 HydrophobicContact CB-CD1 4.07Å; N203-I241 HydrophobicContact CB-CG1 4.02Å; F204-I241 PolarHBondContact N-O 3.29Å; I241-Q243 PolarHBondContact O-N 3.31Å; I241-H269 HydrophobicContact CG2-CB 4.42Å; I241-L273 HydrophobicContact CB-CD2 3.99Å; I241-L273 HydrophobicContact CG2-CD2 3.65Å; I241-F276 HydrophobicContact CG2-CD2 4.27Å; I241-F276 HydrophobicContact CG2-CE2 4.39Å; I241-F276 HydrophobicContact CG2-CG 4.31Å; I241-F289 HydrophobicContact CD1-CD1 4.41Å
242	H	98.3	Very high	96.1	Very high	32 Å²	32	39.6 Å²	39.6	15%	0.148	19%	0.192	C	C	.	.	S	Bend	trans	55.9	23.1	176.5	-48.6	-62.7	0	0	0	115.5	K205 G270 E271	K205-H242 HydrophobicContact CB-CB 3.83Å; K205-H242 HydrophobicContact CD-CB 3.87Å; K205-H242 HydrophobicContact CG-CB 4.47Å; H242-G270 PolarHBondContact N-O 2.75Å; H242-E271 IonicContact CE1-OE2 3.54Å; H242-E271 PolarHBondContact CE1-OE2 2.96Å; H242-E271 IonicContact CG-OE2 3.15Å; H242-E271 IonicContact ND1-OE1 2.68Å; H242-E271 IonicContact ND1-OE2 3.58Å; H242-E271 PolarHBondContact ND1-OE2 3.06Å
243	Q	98	Very high	96.1	Very high	40 Å²	40	42 Å²	42	19%	0.187	21%	0.207	C	C	.	.			trans	-65.6	137.7	-178.2	78.1	-65.7	-27.7	0	0	111.6	F204 I241 F247 V268	F204-Q243 HydrophobicContact CB-CB 3.89Å; F204-Q243 HydrophobicContact CD2-CB 4.41Å; I241-Q243 PolarHBondContact O-N 3.31Å; Q243-F247 HydrophobicContact CB-CB 3.8Å; Q243-F247 HydrophobicContact CB-CD1 4.12Å; Q243-F247 HydrophobicContact CB-CD2 4.16Å; Q243-F247 HydrophobicContact CB-CG 3.76Å; Q243-F247 HydrophobicContact CG-CB 3.8Å; Q243-F247 HydrophobicContact CG-CD1 3.61Å; Q243-F247 HydrophobicContact CG-CE1 4.32Å; Q243-F247 HydrophobicContact CG-CG 3.73Å; Q243-V268 HydrophobicContact CG-CG1 3.76Å
244	P	97.4	Very high	96.1	Very high	30 Å²	30	42.6 Å²	42.6	20%	0.195	21%	0.209	C	C	.	.			trans	-72.3	163.8	178.3	30.5	-36.1	0	0	0	111.8	F207 Y246 F247	F207-P244 HydrophobicContact CB-CG 4.14Å; F207-P244 HydrophobicContact CD1-CG 3.69Å; F207-P244 HydrophobicContact CG-CG 4.36Å; P244-Y246 HydrophobicContact CB-CD1 4.02Å; P244-Y246 HydrophobicContact CB-CD2 4.38Å; P244-Y246 HydrophobicContact CB-CE1 3.58Å; P244-Y246 HydrophobicContact CB-CE2 4Å; P244-Y246 HydrophobicContact CB-CG 4.4Å; P244-Y246 HydrophobicContact CG-CD1 4.37Å; P244-Y246 HydrophobicContact CG-CD2 3.83Å; P244-Y246 HydrophobicContact CG-CE1 3.93Å; P244-Y246 HydrophobicContact CG-CE2 3.35Å; P244-Y246 HydrophobicContact CG-CG 4.33Å; P244-Y246 VanDerWaalsContact CG-CZ 3.42Å; P244-Y246 PolarHBondContact O-N 3Å; P244-F247 WeakPolarHBondContact O-CB 3.35Å; P244-F247 PolarHBondContact O-N 3.03Å
245	W	95.9	Very high	96.1	Very high	204 Å²	204	45.8 Å²	45.8	77%	0.773	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-32.5	-177.7	67.8	-95.8	0	0	0	114	F247 T248	W245-F247 VanDerWaalsContact C-N 3.31Å; W245-F247 PolarHBondContact O-N 3.13Å; W245-T248 PolarHBondContact O-OG1 3.17Å
246	Y	94.7	Very high	96	Very high	35 Å²	35	50.1 Å²	50.1	14%	0.137	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-5	179.6	52.3	-99.7	0	0	0	114.2	F207 T208 M209 A212 P244 T248 T249	F207-Y246 HydrophobicContact CD1-CD2 4.47Å; F207-Y246 AromaticContact CD1-CE2 3.93Å; F207-Y246 HydrophobicContact CD1-CE2 3.93Å; F207-Y246 HydrophobicContact CE1-CD2 4.36Å; F207-Y246 HydrophobicContact CE1-CE2 4.14Å; F207-Y246 PolarHBondContact O-OH 3.45Å; T208-Y246 VanDerWaalsContact C-OH 3.26Å; T208-Y246 VanDerWaalsContact CA-OH 3.32Å; T208-Y246 WeakPolarHBondContact CA-OH 3.35Å; M209-Y246 HydrophobicContact CG-CD1 3.8Å; M209-Y246 HydrophobicContact CG-CD2 4.24Å; M209-Y246 HydrophobicContact CG-CE1 3.46Å; M209-Y246 VanDerWaalsContact CG-CE1 3.46Å; M209-Y246 HydrophobicContact CG-CE2 3.91Å; M209-Y246 HydrophobicContact CG-CG 4.17Å; M209-Y246 VanDerWaalsContact CG-CZ 3.49Å; M209-Y246 PolarHBondContact N-OH 2.82Å; M209-Y246 VanDerWaalsContact N-OH 3.14Å; M209-Y246 HydrophobicContact SD-CD1 4.34Å; M209-Y246 HydrophobicContact SD-CE1 4.27Å; A212-Y246 HydrophobicContact CB-CD2 4.33Å; A212-Y246 HydrophobicContact CB-CE2 4.35Å; P244-Y246 HydrophobicContact CB-CD1 4.02Å; P244-Y246 HydrophobicContact CB-CD2 4.38Å; P244-Y246 HydrophobicContact CB-CE1 3.58Å; P244-Y246 HydrophobicContact CB-CE2 4Å; P244-Y246 HydrophobicContact CB-CG 4.4Å; P244-Y246 HydrophobicContact CG-CD1 4.37Å; P244-Y246 HydrophobicContact CG-CD2 3.83Å; P244-Y246 HydrophobicContact CG-CE1 3.93Å; P244-Y246 HydrophobicContact CG-CE2 3.35Å; P244-Y246 HydrophobicContact CG-CG 4.33Å; P244-Y246 VanDerWaalsContact CG-CZ 3.42Å; P244-Y246 PolarHBondContact O-N 3Å; Y246-T248 PolarHBondContact O-N 2.99Å; Y246-T248 VanDerWaalsContact O-N 3.16Å; Y246-T249 WeakPolarHBondContact O-CB 3.5Å; Y246-T249 PolarHBondContact O-N 2.84Å
247	F	96.2	Very high	95.9	Very high	11 Å²	11	51.2 Å²	51.2	5%	0.048	26%	0.258	C	S	.	.	H	α-helix	trans	-53	-34.4	170.6	170.2	-101.7	0	0	0	111.8	F204 F240 Q243 P244 W245 T249 T250 Y251 V268	F204-F247 AromaticContact CD2-CD2 3.61Å; F204-F247 HydrophobicContact CD2-CD2 3.61Å; F204-F247 AromaticContact CD2-CE2 3.92Å; F204-F247 HydrophobicContact CD2-CE2 3.92Å; F204-F247 AromaticContact CE2-CD2 3.61Å; F204-F247 HydrophobicContact CE2-CD2 3.61Å; F204-F247 AromaticContact CE2-CE2 3.65Å; F204-F247 HydrophobicContact CE2-CE2 3.65Å; F204-F247 HydrophobicContact CZ-CE2 4.45Å; F240-F247 HydrophobicContact CB-CZ 4.4Å; F240-F247 AromaticContact CD1-CE2 3.59Å; F240-F247 HydrophobicContact CD1-CE2 3.59Å; F240-F247 AromaticContact CD1-CZ 3.69Å; F240-F247 HydrophobicContact CD1-CZ 3.69Å; F240-F247 AromaticContact CD2-CZ 3.93Å; F240-F247 HydrophobicContact CD2-CZ 3.93Å; F240-F247 AromaticContact CE1-CE2 3.63Å; F240-F247 HydrophobicContact CE1-CE2 3.63Å; F240-F247 AromaticContact CE1-CZ 3.86Å; F240-F247 HydrophobicContact CE1-CZ 3.86Å; F240-F247 HydrophobicContact CE2-CZ 4.08Å; F240-F247 HydrophobicContact CG-CE1 4.5Å; F240-F247 HydrophobicContact CG-CE2 4.12Å; F240-F247 AromaticContact CG-CZ 3.72Å; F240-F247 HydrophobicContact CG-CZ 3.72Å; F240-F247 HydrophobicContact CZ-CE2 4.18Å; F240-F247 HydrophobicContact CZ-CZ 4.05Å; Q243-F247 HydrophobicContact CB-CB 3.8Å; Q243-F247 HydrophobicContact CB-CD1 4.12Å; Q243-F247 HydrophobicContact CB-CD2 4.16Å; Q243-F247 HydrophobicContact CB-CG 3.76Å; Q243-F247 HydrophobicContact CG-CB 3.8Å; Q243-F247 HydrophobicContact CG-CD1 3.61Å; Q243-F247 HydrophobicContact CG-CE1 4.32Å; Q243-F247 HydrophobicContact CG-CG 3.73Å; P244-F247 WeakPolarHBondContact O-CB 3.35Å; P244-F247 PolarHBondContact O-N 3.03Å; W245-F247 VanDerWaalsContact C-N 3.31Å; W245-F247 PolarHBondContact O-N 3.13Å; F247-T249 PolarHBondContact O-N 3.4Å; F247-T249 VanDerWaalsContact O-N 3.14Å; F247-T250 PolarHBondContact O-N 3.42Å; F247-Y251 HydrophobicContact CE1-CD2 4.26Å; F247-Y251 HydrophobicContact CE1-CG 4.35Å; F247-Y251 HydrophobicContact CZ-CD2 4.22Å; F247-Y251 PolarHBondContact O-N 2.82Å; F247-V268 HydrophobicContact CD1-CG1 4.39Å; F247-V268 HydrophobicContact CE1-CG1 4.15Å; F247-V268 HydrophobicContact CE1-CG2 3.85Å; F247-V268 HydrophobicContact CZ-CG2 4.48Å
248	T	93.7	Very high	95.7	Very high	83 Å²	83	52.1 Å²	52.1	51%	0.509	26%	0.262	S	S	.	.	H	α-helix	trans	-52.3	-36.7	175.9	-49.6	0	0	0	0	112.3	W245 Y246 N252	W245-T248 PolarHBondContact O-OG1 3.17Å; Y246-T248 PolarHBondContact O-N 2.99Å; Y246-T248 VanDerWaalsContact O-N 3.16Å; T248-N252 WeakPolarHBondContact O-CB 3.37Å; T248-N252 PolarHBondContact O-N 3.11Å; T248-N252 PolarHBondContact O-ND2 3.04Å
249	T	94	Very high	95.5	Very high	92 Å²	92	57 Å²	57	56%	0.564	28%	0.283	S	S	*	.	H	α-helix	trans	-66	-49.5	176.5	-57.5	0	0	0	0	110.9	Y246 F247 Y251 N252 V253	Y246-T249 WeakPolarHBondContact O-CB 3.5Å; Y246-T249 PolarHBondContact O-N 2.84Å; F247-T249 PolarHBondContact O-N 3.4Å; F247-T249 VanDerWaalsContact O-N 3.14Å; T249-Y251 PolarHBondContact O-N 2.85Å; T249-N252 PolarHBondContact O-N 3.45Å; T249-V253 PolarHBondContact O-N 2.98Å
250	T	93.2	Very high	95.3	Very high	16 Å²	16	60.7 Å²	60.7	10%	0.098	31%	0.31	C	S	.	.	H	α-helix	trans	-60.2	-45.5	176	-53.1	0	0	0	0	111.1	L215 L220 F247 N252 V253 V254	L215-T250 HydrophobicContact CD1-CG2 4.08Å; L220-T250 HydrophobicContact CD1-CG2 4.5Å; F247-T250 PolarHBondContact O-N 3.42Å; T250-N252 VanDerWaalsContact C-N 3.33Å; T250-N252 PolarHBondContact O-N 3.17Å; T250-V253 WeakPolarHBondContact O-CB 3.36Å; T250-V253 PolarHBondContact O-N 3.41Å; T250-V253 VanDerWaalsContact O-N 3.1Å; T250-V254 PolarHBondContact O-N 3.26Å
251	Y	94.3	Very high	95	Very high	52 Å²	52	64.5 Å²	64.5	20%	0.204	33%	0.326	C	S	.	.	H	α-helix	trans	-58.8	-42.2	176.6	-179.1	-96.8	0	0	0	112.2	F247 T249 V253 V254 K255 L263 V266	F247-Y251 HydrophobicContact CE1-CD2 4.26Å; F247-Y251 HydrophobicContact CE1-CG 4.35Å; F247-Y251 HydrophobicContact CZ-CD2 4.22Å; F247-Y251 PolarHBondContact O-N 2.82Å; T249-Y251 PolarHBondContact O-N 2.85Å; Y251-V253 PolarHBondContact O-N 3.46Å; Y251-V254 PolarHBondContact O-N 3.28Å; Y251-V254 VanDerWaalsContact O-N 3.09Å; Y251-K255 HydrophobicContact CD1-CB 4.47Å; Y251-K255 HydrophobicContact CE1-CB 4.22Å; Y251-K255 HydrophobicContact CE1-CD 3.96Å; Y251-K255 HydrophobicContact CE1-CG 4.26Å; Y251-K255 VanDerWaalsContact O-CB 3.3Å; Y251-K255 WeakPolarHBondContact O-CB 3.49Å; Y251-K255 PolarHBondContact O-N 3.1Å; Y251-L263 WeakPolarHBondContact OH-CD2 3.42Å; Y251-V266 HydrophobicContact CE2-CB 4.42Å; Y251-V266 HydrophobicContact CE2-CG1 3.88Å
252	N	95.4	Very high	94.7	Very high	89 Å²	89	65.1 Å²	65.1	48%	0.476	33%	0.329	S	S	.	.	H	α-helix	trans	-66.4	-24.5	177.8	-74.4	-24.1	0	0	0	113.5	T248 T249 T250 P256	T248-N252 WeakPolarHBondContact O-CB 3.37Å; T248-N252 PolarHBondContact O-N 3.11Å; T248-N252 PolarHBondContact O-ND2 3.04Å; T249-N252 PolarHBondContact O-N 3.45Å; T250-N252 VanDerWaalsContact C-N 3.33Å; T250-N252 PolarHBondContact O-N 3.17Å; N252-P256 VanDerWaalsContact O-CD 3.31Å; N252-P256 WeakPolarHBondContact O-CD 3.44Å
253	V	94.7	Very high	94.5	Very high	56 Å²	56	65.7 Å²	65.7	34%	0.339	33%	0.333	S	S	.	.	H	α-helix	trans	-71.8	-38.8	171	173.9	0	0	0	0	110.9	T217 L220 T249 T250 Y251 P256 F257	T217-V253 HydrophobicContact CG2-CG1 3.91Å; L220-V253 HydrophobicContact CD1-CG1 4.21Å; T249-V253 PolarHBondContact O-N 2.98Å; T250-V253 WeakPolarHBondContact O-CB 3.36Å; T250-V253 PolarHBondContact O-N 3.41Å; T250-V253 VanDerWaalsContact O-N 3.1Å; Y251-V253 PolarHBondContact O-N 3.46Å; V253-P256 WeakPolarHBondContact O-CD 3.38Å; V253-F257 WeakPolarHBondContact O-CE2 3.44Å
254	V	93.3	Very high	94.4	Very high	23 Å²	23	70.8 Å²	70.8	14%	0.139	36%	0.357	C	S	.	.	H	α-helix	trans	-80.6	-36.4	-177.5	-175.8	0	0	0	0	112.5	L220 V224 T250 Y251 P256 F257 L258	L220-V254 HydrophobicContact CB-CG2 4.04Å; L220-V254 HydrophobicContact CD1-CG2 3.78Å; L220-V254 HydrophobicContact CD2-CG2 4.16Å; L220-V254 HydrophobicContact CG-CG2 4.21Å; V224-V254 HydrophobicContact CG2-CG1 3.49Å; V224-V254 VanDerWaalsContact CG2-CG1 3.49Å; T250-V254 PolarHBondContact O-N 3.26Å; Y251-V254 PolarHBondContact O-N 3.28Å; Y251-V254 VanDerWaalsContact O-N 3.09Å; V254-P256 VanDerWaalsContact C-N 3.33Å; V254-P256 VanDerWaalsContact O-N 3.13Å; V254-F257 WeakPolarHBondContact O-CB 3.44Å; V254-F257 WeakPolarHBondContact O-CD2 3.49Å; V254-F257 PolarHBondContact O-N 3Å; V254-L258 HydrophobicContact CG1-CD1 4.13Å; V254-L258 HydrophobicContact CG1-CD2 4.24Å; V254-L258 HydrophobicContact CG1-CG 4.09Å
255	K	93.6	Very high	94.3	Very high	100 Å²	100	72.1 Å²	72.1	44%	0.435	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-47	-42.7	-173.7	-177.3	-178.1	-174.9	177	0	114.6	Y251 F257 L258 L263	Y251-K255 HydrophobicContact CD1-CB 4.47Å; Y251-K255 HydrophobicContact CE1-CB 4.22Å; Y251-K255 HydrophobicContact CE1-CD 3.96Å; Y251-K255 HydrophobicContact CE1-CG 4.26Å; Y251-K255 VanDerWaalsContact O-CB 3.3Å; Y251-K255 WeakPolarHBondContact O-CB 3.49Å; Y251-K255 PolarHBondContact O-N 3.1Å; K255-F257 PolarHBondContact O-N 2.96Å; K255-L258 PolarHBondContact O-N 3.49Å; K255-L263 HydrophobicContact CG-CD2 3.9Å
256	P	95.6	Very high	94.4	Very high	102 Å²	102	63.5 Å²	63.5	66%	0.662	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-63.4	-21.9	179	-23.4	35.8	0	0	0	114.7	N252 V253 V254	N252-P256 VanDerWaalsContact O-CD 3.31Å; N252-P256 WeakPolarHBondContact O-CD 3.44Å; V253-P256 WeakPolarHBondContact O-CD 3.38Å; V254-P256 VanDerWaalsContact C-N 3.33Å; V254-P256 VanDerWaalsContact O-N 3.13Å
257	F	93.9	Very high	94.5	Very high	67 Å²	67	65.9 Å²	65.9	29%	0.294	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-87.7	-16.3	179.4	-49.6	-57.7	0	0	0	112.7	T217 V224 Q228 V253 V254 K255	T217-F257 HydrophobicContact CG2-CE2 3.78Å; T217-F257 HydrophobicContact CG2-CZ 3.77Å; V224-F257 HydrophobicContact CB-CB 4.26Å; V224-F257 HydrophobicContact CG1-CB 3.79Å; V224-F257 WeakPolarHBondContact CG1-O 3.45Å; V224-F257 HydrophobicContact CG2-CB 4.29Å; Q228-F257 PolarHBondContact NE2-O 3.05Å; V253-F257 WeakPolarHBondContact O-CE2 3.44Å; V254-F257 WeakPolarHBondContact O-CB 3.44Å; V254-F257 WeakPolarHBondContact O-CD2 3.49Å; V254-F257 PolarHBondContact O-N 3Å; K255-F257 PolarHBondContact O-N 2.96Å
258	L	93.2	Very high	94.6	Very high	21 Å²	21	68.6 Å²	68.6	11%	0.11	36%	0.356	C	S	.	.	S	Bend	trans	-84.9	125.6	-176.8	-59.1	174.9	0	0	0	110.9	V224 V254 K255 L262 L263 V266	V224-L258 HydrophobicContact CB-CD2 4.42Å; V224-L258 HydrophobicContact CG1-CD2 3.89Å; V224-L258 HydrophobicContact CG2-CD2 3.7Å; V224-L258 HydrophobicContact CG2-CG 4.49Å; V254-L258 HydrophobicContact CG1-CD1 4.13Å; V254-L258 HydrophobicContact CG1-CD2 4.24Å; V254-L258 HydrophobicContact CG1-CG 4.09Å; K255-L258 PolarHBondContact O-N 3.49Å; L258-L262 HydrophobicContact CD2-CD2 3.51Å; L258-L262 HydrophobicContact CD2-CG 3.99Å; L258-L263 HydrophobicContact CB-CD1 4.29Å; L258-L263 HydrophobicContact CB-CD2 3.6Å; L258-L263 HydrophobicContact CB-CG 3.53Å; L258-L263 HydrophobicContact CD1-CD2 3.49Å; L258-L263 VanDerWaalsContact CD1-CD2 3.49Å; L258-L263 HydrophobicContact CD1-CG 4.28Å; L258-L263 HydrophobicContact CG-CD2 4.15Å; L258-L263 WeakPolarHBondContact O-CD1 3.42Å; L258-V266 HydrophobicContact CD1-CG2 4.43Å
259	K	94.4	Very high	94.8	Very high	113 Å²	113	66.7 Å²	66.7	49%	0.491	34%	0.342	S	S	.	.			trans	-66.4	151.4	168.6	-61.6	179.6	-172.9	-175	0	109.1	D229 K261 L262 L263	D229-K259 IonicContact OD2-NZ 3Å; D229-K259 PolarHBondContact OD2-NZ 2.93Å; K259-K261 PolarHBondContact O-N 3.11Å; K259-K261 VanDerWaalsContact O-N 3.1Å; K259-L262 PolarHBondContact O-N 3.13Å; K259-L263 PolarHBondContact O-N 3.35Å
260	S	94.4	Very high	94.9	Very high	82 Å²	82	63 Å²	63	57%	0.573	32%	0.321	S	S	*	.	H	α-helix	trans	-47.3	-45.9	-178	53.2	0	0	0	0	113.2	L262 L263 E264	S260-L262 VanDerWaalsContact C-N 3.31Å; S260-L262 PolarHBondContact O-N 2.68Å; S260-L263 WeakPolarHBondContact O-CB 3.3Å; S260-L263 PolarHBondContact O-N 3.49Å; S260-E264 WeakPolarHBondContact O-CG 3.45Å; S260-E264 PolarHBondContact O-N 3.4Å
261	K	91.9	Very high	95.1	Very high	107 Å²	107	68 Å²	68	47%	0.465	34%	0.344	S	S	.	.	H	α-helix	trans	-60.5	-34.6	179	-175.5	-178.7	174.2	-164.2	0	114	K259 R265	K259-K261 PolarHBondContact O-N 3.11Å; K259-K261 VanDerWaalsContact O-N 3.1Å; K261-R265 WeakPolarHBondContact O-CD 3.23Å; K261-R265 VanDerWaalsContact O-CG 3.24Å; K261-R265 WeakPolarHBondContact O-CG 3.45Å; K261-R265 PolarHBondContact O-NE 3.19Å
262	L	92	Very high	95.2	Very high	12 Å²	12	70.6 Å²	70.6	6%	0.063	36%	0.361	C	S	.	.	H	α-helix	trans	-81.5	-37.4	176.8	-174.4	56.6	0	0	0	110.7	L227 Q228 I238 L258 K259 S260 E264 R265 V266	L227-L262 HydrophobicContact CB-CD2 3.98Å; Q228-L262 HydrophobicContact CG-CB 4.47Å; Q228-L262 HydrophobicContact CG-CD2 3.44Å; Q228-L262 VanDerWaalsContact CG-CD2 3.44Å; I238-L262 HydrophobicContact CD1-CD1 3.92Å; L258-L262 HydrophobicContact CD2-CD2 3.51Å; L258-L262 HydrophobicContact CD2-CG 3.99Å; K259-L262 PolarHBondContact O-N 3.13Å; S260-L262 VanDerWaalsContact C-N 3.31Å; S260-L262 PolarHBondContact O-N 2.68Å; L262-E264 VanDerWaalsContact C-N 3.31Å; L262-E264 PolarHBondContact O-N 3.04Å; L262-R265 WeakPolarHBondContact O-CA 3.38Å; L262-R265 WeakPolarHBondContact O-CB 3.25Å; L262-R265 PolarHBondContact O-N 2.69Å; L262-V266 PolarHBondContact O-N 3.16Å
263	L	94.5	Very high	95.2	Very high	44 Å²	44	67.1 Å²	67.1	23%	0.23	34%	0.342	C	S	.	.	H	α-helix	trans	-55.3	-45	173.1	-76.3	170	0	0	0	112.4	Y251 K255 L258 K259 S260 R265 V266	Y251-L263 WeakPolarHBondContact OH-CD2 3.42Å; K255-L263 HydrophobicContact CG-CD2 3.9Å; L258-L263 HydrophobicContact CB-CD1 4.29Å; L258-L263 HydrophobicContact CB-CD2 3.6Å; L258-L263 HydrophobicContact CB-CG 3.53Å; L258-L263 HydrophobicContact CD1-CD2 3.49Å; L258-L263 VanDerWaalsContact CD1-CD2 3.49Å; L258-L263 HydrophobicContact CD1-CG 4.28Å; L258-L263 HydrophobicContact CG-CD2 4.15Å; L258-L263 WeakPolarHBondContact O-CD1 3.42Å; K259-L263 PolarHBondContact O-N 3.35Å; S260-L263 WeakPolarHBondContact O-CB 3.3Å; S260-L263 PolarHBondContact O-N 3.49Å; L263-R265 PolarHBondContact O-N 2.94Å; L263-R265 VanDerWaalsContact O-N 3.1Å; L263-V266 PolarHBondContact O-N 3.39Å; L263-V266 VanDerWaalsContact O-N 3.17Å
264	E	95.5	Very high	95.2	Very high	148 Å²	148	67.7 Å²	67.7	69%	0.692	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-11.3	176.4	-71.9	165.6	-165.4	0	0	113.8	S260 L262	S260-E264 WeakPolarHBondContact O-CG 3.45Å; S260-E264 PolarHBondContact O-N 3.4Å; L262-E264 VanDerWaalsContact C-N 3.31Å; L262-E264 PolarHBondContact O-N 3.04Å
265	R	96.6	Very high	95.2	Very high	58 Å²	58	68.1 Å²	68.1	22%	0.219	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.7	0.9	-178.9	-64.9	173	-175.4	-150.2	-14.9	112.8	F235 K236 A237 I238 K261 L262 L263 F267	F235-R265 VanDerWaalsContact O-CD 3.25Å; F235-R265 WeakPolarHBondContact O-CD 3.41Å; F235-R265 PolarHBondContact O-NH1 2.94Å; K236-R265 WeakPolarHBondContact O-CG 3.5Å; A237-R265 CarbonylContact C-O 3.43Å; A237-R265 WeakPolarHBondContact CA-O 3.26Å; I238-R265 PolarHBondContact N-O 3.34Å; K261-R265 WeakPolarHBondContact O-CD 3.23Å; K261-R265 VanDerWaalsContact O-CG 3.24Å; K261-R265 WeakPolarHBondContact O-CG 3.45Å; K261-R265 PolarHBondContact O-NE 3.19Å; L262-R265 WeakPolarHBondContact O-CA 3.38Å; L262-R265 WeakPolarHBondContact O-CB 3.25Å; L262-R265 PolarHBondContact O-N 2.69Å; L263-R265 PolarHBondContact O-N 2.94Å; L263-R265 VanDerWaalsContact O-N 3.1Å; R265-F267 VanDerWaalsContact O-CD2 3.27Å; R265-F267 WeakPolarHBondContact O-CD2 3.42Å; R265-F267 VanDerWaalsContact O-CE2 3.31Å; R265-F267 WeakPolarHBondContact O-CE2 3.42Å
266	V	97.1	Very high	95.3	Very high	22 Å²	22	63.3 Å²	63.3	13%	0.133	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	119	173	-179.1	0	0	0	0	108.7	I238 F240 Y251 L258 L262 L263 V268	I238-V266 HydrophobicContact CD1-CG2 4.49Å; F240-V266 HydrophobicContact CD2-CG1 3.87Å; F240-V266 HydrophobicContact CE2-CG1 3.72Å; Y251-V266 HydrophobicContact CE2-CB 4.42Å; Y251-V266 HydrophobicContact CE2-CG1 3.88Å; L258-V266 HydrophobicContact CD1-CG2 4.43Å; L262-V266 PolarHBondContact O-N 3.16Å; L263-V266 PolarHBondContact O-N 3.39Å; L263-V266 VanDerWaalsContact O-N 3.17Å; V266-V268 HydrophobicContact CG1-CG2 4.28Å
267	F	97.8	Very high	95.4	Very high	85 Å²	85	61.6 Å²	61.6	37%	0.373	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	132.1	179.1	-56.4	-81.2	0	0	0	109.1	A237 I238 H239 F240 R265	A237-F267 HydrophobicContact CB-CD2 4.06Å; A237-F267 HydrophobicContact CB-CE2 3.78Å; I238-F267 PolarHBondContact O-N 3.26Å; H239-F267 WeakPolarHBondContact CA-O 3.4Å; H239-F267 AromaticContact CE1-CD2 3.53Å; H239-F267 AromaticContact CE1-CG 3.98Å; H239-F267 WeakPolarHBondContact ND1-CB 3.28Å; H239-F267 AromaticContact ND1-CD2 3.61Å; H239-F267 AromaticContact ND1-CG 3.81Å; F240-F267 PolarHBondContact N-O 3.37Å; R265-F267 VanDerWaalsContact O-CD2 3.27Å; R265-F267 WeakPolarHBondContact O-CD2 3.42Å; R265-F267 VanDerWaalsContact O-CE2 3.31Å; R265-F267 WeakPolarHBondContact O-CE2 3.42Å
268	V	98.1	Very high	95.4	Very high	68 Å²	68	64.6 Å²	64.6	41%	0.412	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	110.2	-176.7	-178	0	0	0	0	107.6	F240 Q243 F247 V266	F240-V268 HydrophobicContact CB-CG2 4.4Å; F240-V268 HydrophobicContact CD2-CG2 4.34Å; Q243-V268 HydrophobicContact CG-CG1 3.76Å; F247-V268 HydrophobicContact CD1-CG1 4.39Å; F247-V268 HydrophobicContact CE1-CG1 4.15Å; F247-V268 HydrophobicContact CE1-CG2 3.85Å; F247-V268 HydrophobicContact CZ-CG2 4.48Å; V266-V268 HydrophobicContact CG1-CG2 4.28Å
269	H	97.6	Very high	95.5	Very high	44 Å²	44	66.7 Å²	66.7	20%	0.204	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	-28.3	-167.8	-57.2	-76.9	0	0	0	113.2	H239 F240 I241 L273 F276	H239-H269 AromaticContact CG-NE2 3.59Å; H239-H269 AromaticContact ND1-CE1 3.72Å; H239-H269 AromaticContact ND1-NE2 3Å; H239-H269 PolarHBondContact ND1-NE2 2.81Å; F240-H269 PolarHBondContact O-CD2 3.32Å; F240-H269 PolarHBondContact O-N 3.09Å; I241-H269 HydrophobicContact CG2-CB 4.42Å; H269-L273 HydrophobicContact CB-CD2 4.18Å; H269-F276 AromaticContact CD2-CD2 3.99Å; H269-F276 AromaticContact NE2-CD2 3.67Å
270	G	96.9	Very high	95.6	Very high	13 Å²	13	61.3 Å²	61.3	13%	0.134	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	68.6	-133.4	-171.4	0	0	0	0	0	111.4	H242	H242-G270 PolarHBondContact N-O 2.75Å
271	E	96.4	Very high	95.7	Very high	121 Å²	121	60 Å²	60	57%	0.565	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.7	-15.8	-178.2	-60.1	-69.9	171.2	0	0	112.9	K205 H242 L273	K205-E271 IonicContact NZ-OE1 2.85Å; H242-E271 IonicContact CE1-OE2 3.54Å; H242-E271 PolarHBondContact CE1-OE2 2.96Å; H242-E271 IonicContact CG-OE2 3.15Å; H242-E271 IonicContact ND1-OE1 2.68Å; H242-E271 IonicContact ND1-OE2 3.58Å; H242-E271 PolarHBondContact ND1-OE2 3.06Å; E271-L273 PolarHBondContact O-N 3.02Å
272	D	95.4	Very high	96	Very high	107 Å²	107	58.9 Å²	58.9	57%	0.572	30%	0.302	S	S	*	.			trans	-86.3	102.9	173.9	179.2	9.2	0	0	0	109.9	S274	D272-S274 VanDerWaalsContact OD1-CB 3.23Å; D272-S274 WeakPolarHBondContact OD1-CB 3.43Å; D272-S274 PolarHBondContact OD1-N 2.8Å; D272-S274 PolarHBondContact OD1-OG 3.23Å; D272-S274 PolarHBondContact OD2-OG 2.96Å
273	L	96.5	Very high	96.2	Very high	16 Å²	16	62.9 Å²	62.9	8%	0.084	32%	0.323	C	S	.	.			trans	-94.1	5.9	-178.1	-58.1	-173.5	0	0	0	113.4	I241 H269 E271 G275 F276 Y277	I241-L273 HydrophobicContact CB-CD2 3.99Å; I241-L273 HydrophobicContact CG2-CD2 3.65Å; H269-L273 HydrophobicContact CB-CD2 4.18Å; E271-L273 PolarHBondContact O-N 3.02Å; L273-G275 VanDerWaalsContact C-N 3.3Å; L273-G275 PolarHBondContact O-N 3.1Å; L273-F276 HydrophobicContact CB-CB 4.29Å; L273-F276 HydrophobicContact CB-CD1 4.25Å; L273-F276 HydrophobicContact CD2-CB 4.31Å; L273-F276 HydrophobicContact CD2-CD1 4.35Å; L273-F276 WeakPolarHBondContact O-CB 3.36Å; L273-F276 PolarHBondContact O-N 3.48Å; L273-Y277 HydrophobicContact CB-CD2 3.79Å; L273-Y277 HydrophobicContact CB-CE2 3.4Å; L273-Y277 HydrophobicContact CD1-CE2 4.08Å; L273-Y277 WeakPolarHBondContact CD1-OH 3.31Å; L273-Y277 HydrophobicContact CG-CE2 4.39Å; L273-Y277 WeakPolarHBondContact O-CD2 3.15Å; L273-Y277 PolarHBondContact O-N 3.28Å
274	S	95	Very high	96.4	Very high	68 Å²	68	61.3 Å²	61.3	48%	0.476	32%	0.315	S	S	.	.	H	α-helix	trans	-59.3	-39.1	-178	62	0	0	0	0	113.1	D272 Q278	D272-S274 VanDerWaalsContact OD1-CB 3.23Å; D272-S274 WeakPolarHBondContact OD1-CB 3.43Å; D272-S274 PolarHBondContact OD1-N 2.8Å; D272-S274 PolarHBondContact OD1-OG 3.23Å; D272-S274 PolarHBondContact OD2-OG 2.96Å; S274-Q278 WeakPolarHBondContact O-CG 3.13Å; S274-Q278 PolarHBondContact O-NE2 3.4Å; S274-Q278 VanDerWaalsContact O-NE2 3.09Å
275	G	92.4	Very high	96.5	Very high	32 Å²	32	54.3 Å²	54.3	33%	0.33	28%	0.282	S	S	.	.	H	α-helix	trans	-75.5	-32.3	173.2	0	0	0	0	0	113.2	L273 Q278	L273-G275 VanDerWaalsContact C-N 3.3Å; L273-G275 PolarHBondContact O-N 3.1Å; G275-Q278 PolarHBondContact O-N 3.21Å
276	F	97	Very high	96.6	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-65.1	-45.8	175.9	168	-107.3	0	0	0	111.8	I201 H239 I241 H269 L273 Q278 E279 I280 L285	I201-F276 HydrophobicContact CD1-CE2 4.17Å; I201-F276 HydrophobicContact CD1-CZ 3.99Å; I201-F276 HydrophobicContact CG1-CE2 4.36Å; I201-F276 HydrophobicContact CG2-CE2 4.29Å; I201-F276 HydrophobicContact CG2-CZ 4.21Å; H239-F276 HydrophobicContact CB-CD2 4.15Å; H239-F276 HydrophobicContact CB-CE2 4.05Å; I241-F276 HydrophobicContact CG2-CD2 4.27Å; I241-F276 HydrophobicContact CG2-CE2 4.39Å; I241-F276 HydrophobicContact CG2-CG 4.31Å; H269-F276 AromaticContact CD2-CD2 3.99Å; H269-F276 AromaticContact NE2-CD2 3.67Å; L273-F276 HydrophobicContact CB-CB 4.29Å; L273-F276 HydrophobicContact CB-CD1 4.25Å; L273-F276 HydrophobicContact CD2-CB 4.31Å; L273-F276 HydrophobicContact CD2-CD1 4.35Å; L273-F276 WeakPolarHBondContact O-CB 3.36Å; L273-F276 PolarHBondContact O-N 3.48Å; F276-Q278 PolarHBondContact O-N 2.89Å; F276-E279 PolarHBondContact O-N 3.05Å; F276-I280 HydrophobicContact CD2-CG1 4.33Å; F276-I280 HydrophobicContact CE2-CB 4Å; F276-I280 HydrophobicContact CE2-CG1 3.74Å; F276-I280 HydrophobicContact CZ-CB 4Å; F276-I280 HydrophobicContact CZ-CG1 4.21Å; F276-I280 HydrophobicContact CZ-CG2 4.31Å; F276-I280 PolarHBondContact O-N 3.39Å; F276-L285 HydrophobicContact CE1-CD1 3.53Å; F276-L285 HydrophobicContact CZ-CD1 3.64Å
277	Y	97.1	Very high	96.7	Very high	66 Å²	66	53.9 Å²	53.9	26%	0.259	29%	0.289	S	S	.	.	H	α-helix	trans	-69.7	-16.7	-179.8	-65	-53.5	0	0	0	114	L273 E279 I280 E282 L285 G290	L273-Y277 HydrophobicContact CB-CD2 3.79Å; L273-Y277 HydrophobicContact CB-CE2 3.4Å; L273-Y277 HydrophobicContact CD1-CE2 4.08Å; L273-Y277 WeakPolarHBondContact CD1-OH 3.31Å; L273-Y277 HydrophobicContact CG-CE2 4.39Å; L273-Y277 WeakPolarHBondContact O-CD2 3.15Å; L273-Y277 PolarHBondContact O-N 3.28Å; Y277-E279 VanDerWaalsContact C-N 3.27Å; Y277-I280 CarbonylContact C-O 3.58Å; Y277-I280 VanDerWaalsContact CA-O 3.27Å; Y277-I280 WeakPolarHBondContact CA-O 3.41Å; Y277-E282 HydrophobicContact CD1-CB 3.71Å; Y277-E282 HydrophobicContact CD1-CG 4.15Å; Y277-E282 HydrophobicContact CE1-CB 3.78Å; Y277-E282 HydrophobicContact CE1-CG 3.7Å; Y277-E282 HydrophobicContact CG-CB 4.39Å; Y277-L285 HydrophobicContact CE1-CD1 4.25Å; Y277-G290 PolarHBondContact OH-O 2.72Å
278	Q	93.7	Very high	96.6	Very high	129 Å²	129	51.1 Å²	51.1	60%	0.603	28%	0.278	S	S	*	.	H	α-helix	trans	-68.6	-30.1	168.2	-70.3	167.2	43.2	0	0	111.4	K153 S274 G275 F276	K153-Q278 WeakPolarHBondContact CE-O 3.4Å; K153-Q278 PolarHBondContact NZ-O 3.05Å; S274-Q278 WeakPolarHBondContact O-CG 3.13Å; S274-Q278 PolarHBondContact O-NE2 3.4Å; S274-Q278 VanDerWaalsContact O-NE2 3.09Å; G275-Q278 PolarHBondContact O-N 3.21Å; F276-Q278 PolarHBondContact O-N 2.89Å
279	E	94.4	Very high	96.6	Very high	65 Å²	65	48 Å²	48	30%	0.304	26%	0.259	S	S	.	.	H	α-helix	trans	-91.9	-40.4	-179.4	-66.1	-56.4	137.7	0	0	112.7	Y154 F276 Y277	Y154-E279 VanDerWaalsContact CE2-OE2 3.26Å; Y154-E279 WeakPolarHBondContact CE2-OE2 3.2Å; Y154-E279 PolarHBondContact OH-OE2 2.97Å; F276-E279 PolarHBondContact O-N 3.05Å; Y277-E279 VanDerWaalsContact C-N 3.27Å
280	I	97.3	Very high	96.5	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	26%	0.263	C	S	.	.	S	Bend	trans	-122.2	118.3	-178.1	-51.9	-62.5	0	0	0	109.2	D152 I201 F276 Y277 E282 L285	D152-I280 HydrophobicContact CB-CD1 4.09Å; I201-I280 HydrophobicContact CD1-CG1 4.29Å; I201-I280 HydrophobicContact CD1-CG2 4.06Å; F276-I280 HydrophobicContact CD2-CG1 4.33Å; F276-I280 HydrophobicContact CE2-CB 4Å; F276-I280 HydrophobicContact CE2-CG1 3.74Å; F276-I280 HydrophobicContact CZ-CB 4Å; F276-I280 HydrophobicContact CZ-CG1 4.21Å; F276-I280 HydrophobicContact CZ-CG2 4.31Å; F276-I280 PolarHBondContact O-N 3.39Å; Y277-I280 CarbonylContact C-O 3.58Å; Y277-I280 VanDerWaalsContact CA-O 3.27Å; Y277-I280 WeakPolarHBondContact CA-O 3.41Å; I280-E282 PolarHBondContact O-N 3.48Å; I280-L285 HydrophobicContact CB-CD1 4.48Å; I280-L285 HydrophobicContact CG2-CD1 3.73Å; I280-L285 HydrophobicContact CG2-CD2 3.98Å; I280-L285 HydrophobicContact CG2-CG 3.87Å
281	D	96.7	Very high	96.6	Very high	54 Å²	54	47.2 Å²	47.2	29%	0.289	26%	0.263	S	S	.	.			trans	-61.9	124.8	179.9	-177.2	0.2	0	0	0	111.1	T27 N283 I284	T27-D281 HydrophobicContact CG2-CB 4.11Å; D281-N283 PolarHBondContact O-N 2.91Å; D281-N283 VanDerWaalsContact O-N 3.15Å; D281-N283 WeakPolarHBondContact OD1-CB 3.19Å; D281-N283 PolarHBondContact OD1-N 3.17Å; D281-N283 PolarHBondContact OD1-ND2 3.3Å; D281-I284 HydrophobicContact CB-CG1 4.28Å; D281-I284 WeakPolarHBondContact O-CG1 3.43Å; D281-I284 PolarHBondContact O-N 3.35Å
282	E	97.4	Very high	96.6	Very high	84 Å²	84	45.5 Å²	45.5	39%	0.393	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-55.2	-32.1	177.1	-170.5	-177.2	172.5	0	0	111.9	Y277 I280 I284 L285 G291 T292	Y277-E282 HydrophobicContact CD1-CB 3.71Å; Y277-E282 HydrophobicContact CD1-CG 4.15Å; Y277-E282 HydrophobicContact CE1-CB 3.78Å; Y277-E282 HydrophobicContact CE1-CG 3.7Å; Y277-E282 HydrophobicContact CG-CB 4.39Å; I280-E282 PolarHBondContact O-N 3.48Å; E282-I284 VanDerWaalsContact C-N 3.26Å; E282-I284 PolarHBondContact O-N 3Å; E282-L285 PolarHBondContact O-N 3.4Å; E282-G291 VanDerWaalsContact O-CA 3.24Å; E282-G291 WeakPolarHBondContact O-CA 3.34Å; E282-T292 HydrophobicContact CG-CG2 4.36Å; E282-T292 PolarHBondContact O-N 3.25Å
283	N	97.7	Very high	96.8	Very high	96 Å²	96	43.5 Å²	43.5	51%	0.513	25%	0.25	S	C	.	.	G	3₁₀ helix	trans	-71.2	-17.9	-175.3	-63.2	-65	0	0	0	114.3	D281 T292	D281-N283 PolarHBondContact O-N 2.91Å; D281-N283 VanDerWaalsContact O-N 3.15Å; D281-N283 WeakPolarHBondContact OD1-CB 3.19Å; D281-N283 PolarHBondContact OD1-N 3.17Å; D281-N283 PolarHBondContact OD1-ND2 3.3Å; N283-T292 WeakPolarHBondContact CA-OG1 3.15Å
284	I	97.7	Very high	96.8	Very high	12 Å²	12	48 Å²	48	6%	0.062	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-98.4	-4.4	177.5	68.1	162.4	0	0	0	112.7	T27 L148 R151 D152 D281 E282 L293	T27-I284 HydrophobicContact CG2-CD1 4.06Å; T27-I284 HydrophobicContact CG2-CG2 3.91Å; L148-I284 HydrophobicContact CD1-CD1 3.92Å; L148-I284 HydrophobicContact CD1-CG1 4.17Å; R151-I284 WeakPolarHBondContact O-CD1 3.22Å; D152-I284 HydrophobicContact CB-CD1 4.48Å; D281-I284 HydrophobicContact CB-CG1 4.28Å; D281-I284 WeakPolarHBondContact O-CG1 3.43Å; D281-I284 PolarHBondContact O-N 3.35Å; E282-I284 VanDerWaalsContact C-N 3.26Å; E282-I284 PolarHBondContact O-N 3Å; I284-L293 VanDerWaalsContact O-CD1 3.22Å; I284-L293 WeakPolarHBondContact O-CD1 3.25Å
285	L	98.5	Very high	97	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	29%	0.287	C	S	.	.	S	Bend	trans	-91.8	140.5	-176.2	-75.2	170.2	0	0	0	111.6	L148 I201 F276 Y277 I280 E282 F289 G291 T292 L293	L148-L285 HydrophobicContact CD1-CD2 4.01Å; I201-L285 HydrophobicContact CD1-CD2 3.61Å; F276-L285 HydrophobicContact CE1-CD1 3.53Å; F276-L285 HydrophobicContact CZ-CD1 3.64Å; Y277-L285 HydrophobicContact CE1-CD1 4.25Å; I280-L285 HydrophobicContact CB-CD1 4.48Å; I280-L285 HydrophobicContact CG2-CD1 3.73Å; I280-L285 HydrophobicContact CG2-CD2 3.98Å; I280-L285 HydrophobicContact CG2-CG 3.87Å; E282-L285 PolarHBondContact O-N 3.4Å; L285-F289 HydrophobicContact CD2-CB 4.17Å; L285-G291 CarbonylContact O-C 3.57Å; L285-G291 VanDerWaalsContact O-C 3.3Å; L285-G291 VanDerWaalsContact O-CA 3.24Å; L285-G291 WeakPolarHBondContact O-CA 3.36Å; L285-T292 PolarHBondContact O-N 3.18Å; L285-L293 VanDerWaalsContact O-CB 3.3Å; L285-L293 WeakPolarHBondContact O-CB 3.48Å; L285-L293 PolarHBondContact O-N 3.25Å
286	P	98.4	Very high	97.2	Very high	5 Å²	5	52.1 Å²	52.1	3%	0.032	28%	0.279	C	S	.	.	B	Isolated β-bridge	trans	-60.3	154.3	165.3	-27.1	36.6	0	0	0	112.8	L148 L160 D288 F289 G290 G291 P294 Y296	L148-P286 VanDerWaalsContact CD2-CD 3.42Å; L148-P286 HydrophobicContact CD2-CG 3.94Å; L160-P286 HydrophobicContact CD1-CG 4.07Å; P286-D288 WeakPolarHBondContact CB-OD1 3.49Å; P286-D288 PolarHBondContact O-N 3.31Å; P286-F289 HydrophobicContact CB-CD2 4.28Å; P286-F289 HydrophobicContact CG-CD2 4.48Å; P286-F289 CarbonylContact O-C 3.56Å; P286-F289 PolarHBondContact O-N 3.27Å; P286-G290 PolarHBondContact O-N 2.68Å; P286-G291 PolarHBondContact O-N 2.73Å; P286-P294 WeakPolarHBondContact CA-O 3.42Å; P286-P294 WeakPolarHBondContact CB-O 3.34Å; P286-Y296 HydrophobicContact CG-CD2 4.2Å
287	S	98	Very high	97.1	Very high	66 Å²	66	56.3 Å²	56.3	46%	0.462	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-59	-29.8	178.5	62.4	0	0	0	0	113.5	F289 G290 G291 L293 K295	S287-F289 PolarHBondContact O-N 3.15Å; S287-G290 PolarHBondContact O-N 2.85Å; S287-G291 WeakPolarHBondContact CA-O 3.27Å; S287-L293 PolarHBondContact N-O 3.21Å; S287-K295 WeakPolarHBondContact OG-CA 3.43Å; S287-K295 PolarHBondContact OG-N 3.48Å
288	D	96.1	Very high	97.1	Very high	28 Å²	28	53.3 Å²	53.3	15%	0.15	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-75.2	-1.8	175.8	58.3	-51.4	0	0	0	113.8	N203 P286 K295 Y296	N203-D288 PolarHBondContact ND2-O 3.15Å; P286-D288 WeakPolarHBondContact CB-OD1 3.49Å; P286-D288 PolarHBondContact O-N 3.31Å; D288-K295 HydrophobicContact CB-CG 4.23Å; D288-Y296 PolarHBondContact OD1-N 2.98Å
289	F	98.1	Very high	97.2	Very high	3 Å²	3	53.8 Å²	53.8	1%	0.013	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-120.8	19.2	169.9	-68.8	-94.7	0	0	0	111.7	L160 F161 N162 I201 N203 I241 L285 P286 S287	L160-F289 HydrophobicContact CB-CE1 4.11Å; L160-F289 HydrophobicContact CB-CE2 4.01Å; L160-F289 HydrophobicContact CB-CZ 3.61Å; L160-F289 HydrophobicContact CD1-CD2 4.08Å; L160-F289 HydrophobicContact CD1-CE2 3.85Å; L160-F289 HydrophobicContact CD1-CZ 4.27Å; L160-F289 HydrophobicContact CD2-CD1 4.14Å; L160-F289 HydrophobicContact CD2-CD2 4.46Å; L160-F289 HydrophobicContact CD2-CE1 4.09Å; L160-F289 HydrophobicContact CD2-CE2 4.43Å; L160-F289 HydrophobicContact CD2-CG 4.32Å; L160-F289 HydrophobicContact CD2-CZ 4.25Å; L160-F289 HydrophobicContact CG-CE2 4.34Å; L160-F289 HydrophobicContact CG-CZ 4.27Å; F161-F289 WeakPolarHBondContact O-CE1 3.45Å; N162-F289 HydrophobicContact CB-CE1 4.48Å; N162-F289 HydrophobicContact CB-CE2 4.15Å; N162-F289 HydrophobicContact CB-CZ 3.72Å; I201-F289 HydrophobicContact CB-CD1 4.34Å; I201-F289 HydrophobicContact CB-CE1 4.49Å; I201-F289 HydrophobicContact CG2-CD1 3.69Å; I201-F289 HydrophobicContact CG2-CE1 4.15Å; N203-F289 HydrophobicContact CB-CD1 3.76Å; N203-F289 HydrophobicContact CB-CE1 3.58Å; N203-F289 HydrophobicContact CB-CZ 4.3Å; I241-F289 HydrophobicContact CD1-CD1 4.41Å; L285-F289 HydrophobicContact CD2-CB 4.17Å; P286-F289 HydrophobicContact CB-CD2 4.28Å; P286-F289 HydrophobicContact CG-CD2 4.48Å; P286-F289 CarbonylContact O-C 3.56Å; P286-F289 PolarHBondContact O-N 3.27Å; S287-F289 PolarHBondContact O-N 3.15Å
290	G	96.4	Very high	97.3	Very high	27 Å²	27	53.1 Å²	53.1	28%	0.278	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.2	23.9	179	0	0	0	0	0	114.3	Y277 P286 S287	Y277-G290 PolarHBondContact OH-O 2.72Å; P286-G290 PolarHBondContact O-N 2.68Å; S287-G290 PolarHBondContact O-N 2.85Å
291	G	97.5	Very high	97.2	Very high	13 Å²	13	53.5 Å²	53.5	13%	0.134	30%	0.298	C	S	.	.	S	Bend	trans	-104.6	-172.5	176.1	0	0	0	0	0	114.9	E282 L285 P286 S287	E282-G291 VanDerWaalsContact O-CA 3.24Å; E282-G291 WeakPolarHBondContact O-CA 3.34Å; L285-G291 CarbonylContact O-C 3.57Å; L285-G291 VanDerWaalsContact O-C 3.3Å; L285-G291 VanDerWaalsContact O-CA 3.24Å; L285-G291 WeakPolarHBondContact O-CA 3.36Å; P286-G291 PolarHBondContact O-N 2.73Å; S287-G291 WeakPolarHBondContact CA-O 3.27Å
292	T	97.9	Very high	97.2	Very high	84 Å²	84	50.9 Å²	50.9	52%	0.515	29%	0.285	S	S	.	.	S	Bend	trans	-96.9	-10	-176.5	66	0	0	0	0	114.7	E282 N283 L285	E282-T292 HydrophobicContact CG-CG2 4.36Å; E282-T292 PolarHBondContact O-N 3.25Å; N283-T292 WeakPolarHBondContact CA-OG1 3.15Å; L285-T292 PolarHBondContact O-N 3.18Å
293	L	98.1	Very high	97.1	Very high	66 Å²	66	51.5 Å²	51.5	35%	0.346	29%	0.288	S	S	.	.	B	Isolated β-bridge	trans	-75.7	161.2	176.9	-60.1	-175.4	0	0	0	110.9	I284 L285 S287	I284-L293 VanDerWaalsContact O-CD1 3.22Å; I284-L293 WeakPolarHBondContact O-CD1 3.25Å; L285-L293 VanDerWaalsContact O-CB 3.3Å; L285-L293 WeakPolarHBondContact O-CB 3.48Å; L285-L293 PolarHBondContact O-N 3.25Å; S287-L293 PolarHBondContact N-O 3.21Å
294	P	98.2	Very high	97	Very high	109 Å²	109	53 Å²	53	71%	0.708	29%	0.292	S	S	*	.	P	Polyproline II helix	trans	-54.1	158.7	169.9	-24.5	35	0	0	0	112.1	P286 Y296	P286-P294 WeakPolarHBondContact CA-O 3.42Å; P286-P294 WeakPolarHBondContact CB-O 3.34Å; P294-Y296 PolarHBondContact O-N 3.06Å
295	K	97.4	Very high	96.8	Very high	149 Å²	149	53.5 Å²	53.5	65%	0.648	29%	0.294	S	S	*	.	S	Bend	trans	-48.9	139	172.4	-176.8	173.3	-178.3	176	0	110.6	S287 D288 D297	S287-K295 WeakPolarHBondContact OG-CA 3.43Å; S287-K295 PolarHBondContact OG-N 3.48Å; D288-K295 HydrophobicContact CB-CG 4.23Å; K295-D297 PolarHBondContact O-N 2.91Å
296	Y	97.9	Very high	96.5	Very high	39 Å²	39	56.2 Å²	56.2	15%	0.153	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-53.2	132.5	-176.2	-178.2	-99.3	0	0	0	112.3	G146 V147 L160 P286 D288 P294 V301	G146-Y296 WeakPolarHBondContact CA-OH 3.33Å; V147-Y296 PolarHBondContact N-OH 3.3Å; V147-Y296 WeakPolarHBondContact O-CE2 3.44Å; L160-Y296 HydrophobicContact CD1-CD2 3.77Å; L160-Y296 HydrophobicContact CD1-CE2 4.18Å; L160-Y296 HydrophobicContact CD1-CG 4.35Å; P286-Y296 HydrophobicContact CG-CD2 4.2Å; D288-Y296 PolarHBondContact OD1-N 2.98Å; P294-Y296 PolarHBondContact O-N 3.06Å; Y296-V301 HydrophobicContact CE2-CG2 4.17Å; Y296-V301 WeakPolarHBondContact OH-CB 3.43Å; Y296-V301 VanDerWaalsContact OH-CG2 3.25Å; Y296-V301 WeakPolarHBondContact OH-CG2 3.45Å
297	D	95.4	Very high	96.2	Very high	87 Å²	87	57.1 Å²	57.1	47%	0.465	32%	0.317	S	S	.	.			trans	-115.2	103.8	176.2	179.8	16.2	0	0	0	110.3	K295 K299 A300	K295-D297 PolarHBondContact O-N 2.91Å; D297-K299 PolarHBondContact O-N 3.14Å; D297-K299 VanDerWaalsContact OD1-CB 3.31Å; D297-K299 WeakPolarHBondContact OD1-CB 3.4Å; D297-K299 PolarHBondContact OD1-N 3.41Å; D297-A300 PolarHBondContact O-N 3.36Å
298	G	96.1	Very high	95.6	Very high	4 Å²	4	58.5 Å²	58.5	4%	0.041	32%	0.324	C	S	.	.	H	α-helix	trans	-63.2	-24.4	177.4	0	0	0	0	0	113.6	I140 V301 A302	I140-G298 WeakPolarHBondContact O-CA 3.41Å; G298-V301 PolarHBondContact O-N 3Å; G298-A302 WeakPolarHBondContact O-CB 3.38Å; G298-A302 PolarHBondContact O-N 3.19Å
299	K	96.4	Very high	94.9	Very high	139 Å²	139	63.7 Å²	63.7	60%	0.604	34%	0.341	S	S	*	.	H	α-helix	trans	-67.6	-42.4	-178.4	-63	176.1	-178.7	174.8	0	112	E141 D297 V301 A302 E303	E141-K299 HydrophobicContact CB-CG 4.38Å; E141-K299 HydrophobicContact CG-CG 4.36Å; D297-K299 PolarHBondContact O-N 3.14Å; D297-K299 VanDerWaalsContact OD1-CB 3.31Å; D297-K299 WeakPolarHBondContact OD1-CB 3.4Å; D297-K299 PolarHBondContact OD1-N 3.41Å; K299-V301 VanDerWaalsContact C-N 3.3Å; K299-V301 PolarHBondContact O-N 3.13Å; K299-A302 PolarHBondContact O-N 2.91Å; K299-E303 WeakPolarHBondContact O-CB 3.46Å; K299-E303 PolarHBondContact O-N 3.14Å
300	A	95.3	Very high	93.6	Very high	50 Å²	50	68.1 Å²	68.1	41%	0.413	38%	0.378	S	S	.	.	H	α-helix	trans	-59.2	-43	177.2	0	0	0	0	0	111.5	D297 E303 Q304	D297-A300 PolarHBondContact O-N 3.36Å; A300-E303 PolarHBondContact O-N 3.29Å; A300-Q304 WeakPolarHBondContact O-CG 3.47Å; A300-Q304 PolarHBondContact O-N 2.97Å
301	V	95.7	Very high	91.5	Very high	8 Å²	8	75.6 Å²	75.6	5%	0.048	41%	0.406	C	S	.	.	H	α-helix	trans	-69.9	-43	177.6	168	0	0	0	0	111.8	F34 I140 V147 Y296 G298 K299 E303 Q304 L305	F34-V301 HydrophobicContact CE1-CG1 4.12Å; F34-V301 HydrophobicContact CE2-CG2 4.42Å; F34-V301 HydrophobicContact CZ-CB 4.36Å; F34-V301 HydrophobicContact CZ-CG1 3.8Å; F34-V301 HydrophobicContact CZ-CG2 4.02Å; I140-V301 HydrophobicContact CG2-CG1 4.21Å; V147-V301 HydrophobicContact CB-CG1 4.14Å; V147-V301 HydrophobicContact CG2-CG1 4.35Å; V147-V301 WeakPolarHBondContact O-CG2 3.29Å; Y296-V301 HydrophobicContact CE2-CG2 4.17Å; Y296-V301 WeakPolarHBondContact OH-CB 3.43Å; Y296-V301 VanDerWaalsContact OH-CG2 3.25Å; Y296-V301 WeakPolarHBondContact OH-CG2 3.45Å; G298-V301 PolarHBondContact O-N 3Å; K299-V301 VanDerWaalsContact C-N 3.3Å; K299-V301 PolarHBondContact O-N 3.13Å; V301-E303 VanDerWaalsContact C-N 3.27Å; V301-E303 PolarHBondContact O-N 3.08Å; V301-Q304 PolarHBondContact O-N 3.24Å; V301-Q304 VanDerWaalsContact O-N 3.14Å; V301-L305 HydrophobicContact CG1-CD1 3.84Å; V301-L305 HydrophobicContact CG1-CG 4.43Å; V301-L305 WeakPolarHBondContact O-CG 3.49Å; V301-L305 PolarHBondContact O-N 2.84Å
302	A	96.6	Very high	89.1	Confident	0 Å²	0	79.4 Å²	79.4	0%	0	44%	0.437	C	S	.	.	H	α-helix	trans	-59.7	-38.9	175.9	0	0	0	0	0	111.8	R137 I140 E141 G298 K299 Q304 L305 F306	R137-A302 HydrophobicContact CG-CB 4.31Å; I140-A302 HydrophobicContact CG2-CB 4.1Å; E141-A302 HydrophobicContact CB-CB 4.49Å; E141-A302 HydrophobicContact CG-CB 3.37Å; G298-A302 WeakPolarHBondContact O-CB 3.38Å; G298-A302 PolarHBondContact O-N 3.19Å; K299-A302 PolarHBondContact O-N 2.91Å; A302-Q304 PolarHBondContact O-N 3.22Å; A302-L305 PolarHBondContact O-N 3.02Å; A302-F306 WeakPolarHBondContact O-CB 3.32Å; A302-F306 VanDerWaalsContact O-CD2 3.32Å; A302-F306 WeakPolarHBondContact O-CD2 3.31Å; A302-F306 PolarHBondContact O-N 3.3Å
303	E	95.8	Very high	86.4	Confident	97 Å²	97	83.5 Å²	83.5	45%	0.453	45%	0.45	S	S	.	.	H	α-helix	trans	-63.7	-38.4	175.4	-175.2	168.2	-156.7	0	0	112.6	K299 A300 V301 L305 G307	K299-E303 WeakPolarHBondContact O-CB 3.46Å; K299-E303 PolarHBondContact O-N 3.14Å; A300-E303 PolarHBondContact O-N 3.29Å; V301-E303 VanDerWaalsContact C-N 3.27Å; V301-E303 PolarHBondContact O-N 3.08Å; E303-L305 VanDerWaalsContact C-N 3.31Å; E303-L305 PolarHBondContact O-N 3.23Å; E303-G307 CarbonylContact O-C 3.59Å; E303-G307 WeakPolarHBondContact O-CA 3.39Å; E303-G307 PolarHBondContact O-N 3.07Å
304	Q	94.6	Very high	83.8	Confident	128 Å²	128	88.1 Å²	88.1	60%	0.598	48%	0.475	S	S	*	.	H	α-helix	trans	-66.4	-32.8	174.6	-64.7	-65	-43.3	0	0	112.7	F34 A300 V301 A302	F34-Q304 HydrophobicContact CB-CB 4.23Å; F34-Q304 HydrophobicContact CD1-CB 4.16Å; F34-Q304 HydrophobicContact CD2-CB 3.98Å; F34-Q304 HydrophobicContact CD2-CG 4.1Å; F34-Q304 HydrophobicContact CE2-CB 4.42Å; F34-Q304 HydrophobicContact CE2-CG 4.49Å; F34-Q304 HydrophobicContact CG-CB 3.85Å; F34-Q304 HydrophobicContact CG-CG 4.43Å; A300-Q304 WeakPolarHBondContact O-CG 3.47Å; A300-Q304 PolarHBondContact O-N 2.97Å; V301-Q304 PolarHBondContact O-N 3.24Å; V301-Q304 VanDerWaalsContact O-N 3.14Å; A302-Q304 PolarHBondContact O-N 3.22Å
305	L	94.3	Very high	81.3	Confident	22 Å²	22	88.4 Å²	88.4	12%	0.115	48%	0.475	C	S	.	.	H	α-helix	trans	-83.9	-36.1	-177.1	-70.4	171.6	0	0	0	113.7	F34 I140 F182 I183 K186 V301 A302 E303	F34-L305 HydrophobicContact CD1-CD2 3.89Å; F34-L305 HydrophobicContact CD1-CG 4.31Å; F34-L305 HydrophobicContact CE1-CD2 3.9Å; F34-L305 HydrophobicContact CE1-CG 4.06Å; I140-L305 HydrophobicContact CD1-CD1 4.16Å; I140-L305 HydrophobicContact CG2-CD1 4.21Å; F182-L305 HydrophobicContact CE1-CB 4.33Å; I183-L305 HydrophobicContact CG1-CD1 3.89Å; K186-L305 HydrophobicContact CB-CD2 3.99Å; K186-L305 HydrophobicContact CG-CD2 4.4Å; V301-L305 HydrophobicContact CG1-CD1 3.84Å; V301-L305 HydrophobicContact CG1-CG 4.43Å; V301-L305 WeakPolarHBondContact O-CG 3.49Å; V301-L305 PolarHBondContact O-N 2.84Å; A302-L305 PolarHBondContact O-N 3.02Å; E303-L305 VanDerWaalsContact C-N 3.31Å; E303-L305 PolarHBondContact O-N 3.23Å
306	F	92.9	Very high	78.7	Confident	56 Å²	56	85.4 Å²	85.4	25%	0.246	48%	0.478	C	S	.	.	H	α-helix	trans	-114.2	-11.7	-173.4	-64.5	-88.4	0	0	0	113.9	P133 V136 R137 I140 F182 A302	P133-F306 HydrophobicContact CB-CE1 4.38Å; P133-F306 WeakPolarHBondContact O-CE1 3.41Å; V136-F306 HydrophobicContact CB-CZ 4.37Å; V136-F306 HydrophobicContact CG1-CZ 4.04Å; R137-F306 HydrophobicContact CB-CD1 4.42Å; R137-F306 HydrophobicContact CB-CD2 4.05Å; R137-F306 HydrophobicContact CB-CE1 4.23Å; R137-F306 HydrophobicContact CB-CE2 3.87Å; R137-F306 HydrophobicContact CB-CG 4.33Å; R137-F306 HydrophobicContact CB-CZ 3.96Å; R137-F306 HydrophobicContact CG-CD2 3.91Å; R137-F306 HydrophobicContact CG-CE2 4.16Å; R137-F306 HydrophobicContact CG-CG 4.26Å; I140-F306 HydrophobicContact CD1-CE2 3.86Å; I140-F306 HydrophobicContact CD1-CZ 4.2Å; F182-F306 HydrophobicContact CD1-CE1 4.38Å; F182-F306 HydrophobicContact CD1-CE2 4.26Å; F182-F306 AromaticContact CD1-CZ 3.72Å; F182-F306 HydrophobicContact CD1-CZ 3.72Å; F182-F306 HydrophobicContact CE1-CD1 4.3Å; F182-F306 HydrophobicContact CE1-CD2 4.39Å; F182-F306 AromaticContact CE1-CE1 3.55Å; F182-F306 HydrophobicContact CE1-CE1 3.55Å; F182-F306 AromaticContact CE1-CE2 3.64Å; F182-F306 HydrophobicContact CE1-CE2 3.64Å; F182-F306 AromaticContact CE1-CZ 3.16Å; F182-F306 HydrophobicContact CE1-CZ 3.16Å; F182-F306 AromaticContact CE2-CE1 3.82Å; F182-F306 HydrophobicContact CE2-CE1 3.82Å; F182-F306 HydrophobicContact CE2-CZ 4.11Å; F182-F306 HydrophobicContact CG-CZ 4.39Å; F182-F306 AromaticContact CZ-CD1 3.89Å; F182-F306 HydrophobicContact CZ-CD1 3.89Å; F182-F306 AromaticContact CZ-CE1 3.21Å; F182-F306 HydrophobicContact CZ-CE1 3.21Å; F182-F306 HydrophobicContact CZ-CE2 4.19Å; F182-F306 AromaticContact CZ-CZ 3.39Å; F182-F306 HydrophobicContact CZ-CZ 3.39Å; A302-F306 WeakPolarHBondContact O-CB 3.32Å; A302-F306 VanDerWaalsContact O-CD2 3.32Å; A302-F306 WeakPolarHBondContact O-CD2 3.31Å; A302-F306 PolarHBondContact O-N 3.3Å
307	G	91.1	Very high	75.9	Confident	25 Å²	25	96.3 Å²	96.3	26%	0.258	53%	0.527	S	S	.	.			trans	81.5	175.5	-164.7	0	0	0	0	0	113.1	R137 E303	R137-G307 VanDerWaalsContact CZ-O 3.3Å; R137-G307 PolarHBondContact NH1-O 3.06Å; R137-G307 PolarHBondContact NH2-O 2.94Å; E303-G307 CarbonylContact O-C 3.59Å; E303-G307 WeakPolarHBondContact O-CA 3.39Å; E303-G307 PolarHBondContact O-N 3.07Å
308	P	86.7	Confident	74.9	Confident	95 Å²	95	96.8 Å²	96.8	62%	0.617	53%	0.53	S	S	*	.	P	Polyproline II helix	trans	-60.1	147.6	179	25.6	-33.9	0	0	0	110.8	A310	P308-A310 PolarHBondContact O-N 3.14Å
309	R	81.3	Confident	73.8	Confident	136 Å²	136	101.7 Å²	101.7	51%	0.513	56%	0.555	S	S	.	*	P	Polyproline II helix	trans	-62.3	133	166.2	-75.9	-168.9	176.7	-141.1	-0.8	107.1	R137 E141 Q311	R137-R309 VanDerWaalsContact CZ-CG 3.45Å; E141-R309 IonicContact OE1-CZ 3.02Å; E141-R309 IonicContact OE1-NE 3.36Å; E141-R309 PolarHBondContact OE1-NE 3.15Å; E141-R309 VanDerWaalsContact OE1-NE 3.11Å; E141-R309 IonicContact OE1-NH2 3.21Å; E141-R309 IonicContact OE2-CZ 3.37Å; E141-R309 IonicContact OE2-NE 2.91Å; E141-R309 PolarHBondContact OE2-NE 3.07Å; E141-R309 IonicContact OE2-NH2 2.79Å; E141-R309 PolarHBondContact OE2-NH2 3.21Å; R309-Q311 PolarHBondContact O-N 2.69Å; R309-Q311 VanDerWaalsContact O-N 3.09Å
310	A	70.3	Confident	72.5	Confident	96 Å²	96	99.6 Å²	99.6	79%	0.793	55%	0.553	S	S	*	*	P	Polyproline II helix	trans	-53.8	122.7	166.1	0	0	0	0	0	106.9	P308 A312	P308-A310 PolarHBondContact O-N 3.14Å; A310-A312 PolarHBondContact O-N 3.29Å
311	Q	52	Low	71.2	Confident	185 Å²	185	102.5 Å²	102.5	86%	0.864	56%	0.561	S	S	*	*	P	Polyproline II helix	trans	-55.6	118.2	173.3	-72.8	177.3	-4	0	0	105.9	R309 E313	R309-Q311 PolarHBondContact O-N 2.69Å; R309-Q311 VanDerWaalsContact O-N 3.09Å; Q311-E313 VanDerWaalsContact C-N 3.33Å; Q311-E313 PolarHBondContact O-N 3.28Å
312	A	47.6	Very low	69.7	Low	93 Å²	93	108.4 Å²	108.4	77%	0.769	59%	0.593	S	S	*	*			trans	-55.1	109.7	165	0	0	0	0	0	104.9	A310 N314	A310-A312 PolarHBondContact O-N 3.29Å; A312-N314 PolarHBondContact O-N 2.97Å
313	E	41.6	Very low	67.9	Low	170 Å²	170	115.7 Å²	115.7	79%	0.794	63%	0.632	S	S	*	*			trans	-47.9	122.8	170.1	-73.9	-179.4	155.9	0	0	106	Q311 T315	Q311-E313 VanDerWaalsContact C-N 3.33Å; Q311-E313 PolarHBondContact O-N 3.28Å; E313-T315 PolarHBondContact O-N 2.95Å
314	N	43.7	Very low	65.9	Low	162 Å²	162	117 Å²	117	87%	0.866	65%	0.645	S	S	*	*			trans	-55	87.5	165.9	-92.6	-25.9	0	0	0	107.2	A312 A316	A312-N314 PolarHBondContact O-N 2.97Å; N314-A316 PolarHBondContact O-N 3.39Å
315	T	43.7	Very low	63.7	Low	116 Å²	116	116.2 Å²	116.2	71%	0.712	65%	0.649	S	S	*	*			trans	-77.1	66.1	157.4	41.5	0	0	0	0	107	E313 F317	E313-T315 PolarHBondContact O-N 2.95Å; T315-F317 PolarHBondContact O-N 3.14Å
316	A	42.9	Very low	61.1	Low	86 Å²	86	124 Å²	124	71%	0.711	69%	0.693	S	S	*	*			trans	-70.4	102.7	153.5	0	0	0	0	0	106.5	N314	N314-A316 PolarHBondContact O-N 3.39Å
317	F	39.5	Very low	58.2	Low	268 Å²	268	130.2 Å²	130.2	100%	1.175	73%	0.734	S	S	*	*			trans	-118.4	0	152.3	-83.3	-74.8	0	0	0	107.8	T315	T315-F317 PolarHBondContact O-N 3.14Å

Retrieved 317 of 317 residues in 1298.9 ms (Link to these results)

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