A0A077Z864_TRITR Loading...

Gamma interferon inducible lysosomal thiol

AlphaFold DB , UniProt , Accession A0A077Z864, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 257 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	46.8	Very low	51.8	Low	243 Å²	243	143.6 Å²	143.6	100%	1.197	81%	0.809	S	S	*	*				0	92.1	0	-72	166.6	68	0	0	108
2	I	46.6	Very low	51.7	Low	166 Å²	166	145.3 Å²	145.3	85%	0.851	81%	0.812	S	S	*	*			trans	-117.2	103.7	171.7	-60.2	176.4	0	0	0	105.1	L4	I2-L4 PolarHBondContact O-N 2.97Å
3	S	53.6	Low	51.7	Low	111 Å²	111	147.2 Å²	147.2	78%	0.776	81%	0.807	S	S	*	*			trans	-72.5	105.8	-176.6	178.3	0	0	0	0	109.1	S5	S3-S5 PolarHBondContact O-N 3.13Å; S3-S5 VanDerWaalsContact O-N 3.1Å
4	L	50.1	Low	51.8	Low	148 Å²	148	143.3 Å²	143.3	78%	0.775	80%	0.804	S	S	*	*			trans	-74	93.8	169	-79.9	149.4	0	0	0	108.1	I2 F6	I2-L4 PolarHBondContact O-N 2.97Å; L4-F6 HydrophobicContact CB-CE2 4.45Å; L4-F6 PolarHBondContact O-N 2.64Å
5	S	52.9	Low	52.1	Low	110 Å²	110	145.2 Å²	145.2	77%	0.769	80%	0.804	S	S	*	*			trans	-68.3	96.8	171.1	42.9	0	0	0	0	109.5	S3 G7	S3-S5 PolarHBondContact O-N 3.13Å; S3-S5 VanDerWaalsContact O-N 3.1Å; S5-G7 VanDerWaalsContact C-N 3.34Å; S5-G7 PolarHBondContact O-N 2.75Å
6	F	55.1	Low	52.3	Low	196 Å²	196	141.3 Å²	141.3	86%	0.86	80%	0.796	S	S	*	*			trans	-66.2	95	164.1	-79.6	-93.7	0	0	0	108.1	L4 C8	L4-F6 HydrophobicContact CB-CE2 4.45Å; L4-F6 PolarHBondContact O-N 2.64Å; F6-C8 PolarHBondContact O-N 2.94Å
7	G	54.3	Low	52.6	Low	65 Å²	65	137.7 Å²	137.7	67%	0.67	78%	0.783	S	S	*	*			trans	-63.2	107.6	168.5	0	0	0	0	0	108.8	S5 I9	S5-G7 VanDerWaalsContact C-N 3.34Å; S5-G7 PolarHBondContact O-N 2.75Å; G7-I9 PolarHBondContact O-N 3.49Å
8	C	54.7	Low	53.2	Low	118 Å²	118	131.3 Å²	131.3	80%	0.797	75%	0.75	S	S	*	*			trans	-56.3	101.2	166.4	-112.3	0	0	0	0	107.9	F6 L10	F6-C8 PolarHBondContact O-N 2.94Å; C8-L10 PolarHBondContact O-N 3.24Å
9	I	52.3	Low	54.4	Low	150 Å²	150	129.3 Å²	129.3	77%	0.769	74%	0.736	S	S	*	*			trans	-68.8	88.8	164.5	-59.6	175.4	0	0	0	105.1	G7 L11	G7-I9 PolarHBondContact O-N 3.49Å; I9-L11 HydrophobicContact CG2-CG 4.3Å; I9-L11 PolarHBondContact O-N 3.18Å
10	L	51.9	Low	56	Low	147 Å²	147	125.4 Å²	125.4	77%	0.77	72%	0.717	S	S	*	*			trans	-62.2	89.7	162.3	-83.4	152.7	0	0	0	106.1	C8 L12	C8-L10 PolarHBondContact O-N 3.24Å; L10-L12 PolarHBondContact O-N 3.02Å
11	L	51.9	Low	57.6	Low	126 Å²	126	126.9 Å²	126.9	66%	0.66	72%	0.717	S	S	*	*			trans	-59.7	93.2	158.2	-77.6	161	0	0	0	105.4	I9 F13	I9-L11 HydrophobicContact CG2-CG 4.3Å; I9-L11 PolarHBondContact O-N 3.18Å; L11-F13 HydrophobicContact CB-CD2 4.24Å; L11-F13 HydrophobicContact CB-CE2 3.95Å; L11-F13 HydrophobicContact CB-CZ 4.42Å; L11-F13 HydrophobicContact CD1-CZ 4.46Å; L11-F13 WeakPolarHBondContact O-CD2 3.29Å; L11-F13 PolarHBondContact O-N 2.99Å
12	L	50.6	Low	59.7	Low	163 Å²	163	117.7 Å²	117.7	85%	0.853	68%	0.675	S	S	*	*			trans	-60.4	85.8	158.8	-72	163.9	0	0	0	105.2	L10 A14	L10-L12 PolarHBondContact O-N 3.02Å; L12-A14 PolarHBondContact O-N 2.68Å
13	F	52	Low	61.8	Low	170 Å²	170	113.2 Å²	113.2	75%	0.746	66%	0.656	S	S	*	*			trans	-58.5	98.8	154.4	-68.2	-80.4	0	0	0	103.7	L11 Q15	L11-F13 HydrophobicContact CB-CD2 4.24Å; L11-F13 HydrophobicContact CB-CE2 3.95Å; L11-F13 HydrophobicContact CB-CZ 4.42Å; L11-F13 HydrophobicContact CD1-CZ 4.46Å; L11-F13 WeakPolarHBondContact O-CD2 3.29Å; L11-F13 PolarHBondContact O-N 2.99Å; F13-Q15 PolarHBondContact O-N 3.28Å
14	A	53.2	Low	63.7	Low	93 Å²	93	112.2 Å²	112.2	77%	0.769	65%	0.647	S	S	*	*			trans	-53.9	101	158.2	0	0	0	0	0	103.8	L12 A16	L12-A14 PolarHBondContact O-N 2.68Å; A14-A16 PolarHBondContact O-N 3.49Å
15	Q	55.1	Low	65.5	Low	172 Å²	172	109.6 Å²	109.6	80%	0.804	64%	0.642	S	S	*	*			trans	-57.6	101.5	162.4	-69.8	-178.1	-70.7	0	0	102.5	F13 S17	F13-Q15 PolarHBondContact O-N 3.28Å; Q15-S17 PolarHBondContact O-N 2.97Å
16	A	55.7	Low	67.3	Low	82 Å²	82	107.7 Å²	107.7	68%	0.678	62%	0.622	S	S	*	*			trans	-59.8	99.9	168.4	0	0	0	0	0	103.4	A14 A18	A14-A16 PolarHBondContact O-N 3.49Å; A16-A18 PolarHBondContact O-N 2.87Å
17	S	57.9	Low	69.1	Low	81 Å²	81	101.2 Å²	101.2	57%	0.566	59%	0.592	S	S	*	*			trans	-53.7	120	166.8	51.6	0	0	0	0	104	Q15 D19	Q15-S17 PolarHBondContact O-N 2.97Å; S17-D19 PolarHBondContact O-N 2.81Å
18	A	62.4	Low	71	Confident	22 Å²	22	100 Å²	100	18%	0.182	57%	0.573	C	S	.	*			trans	-63.4	84.3	179.5	0	0	0	0	0	107.7	A16 C20 I33 E36	A16-A18 PolarHBondContact O-N 2.87Å; A18-C20 PolarHBondContact O-N 2.9Å; A18-I33 HydrophobicContact CB-CB 4.49Å; A18-I33 HydrophobicContact CB-CG1 3.93Å; A18-E36 HydrophobicContact CB-CB 4.23Å; A18-E36 HydrophobicContact CB-CG 4.28Å; A18-E36 WeakPolarHBondContact O-CG 3.42Å
19	D	75.9	Confident	72.7	Confident	93 Å²	93	97.9 Å²	97.9	50%	0.497	55%	0.554	S	S	.	*			trans	-62.1	130.8	-179.9	-164.2	-7.5	0	0	0	107.1	S17 H21 V22	S17-D19 PolarHBondContact O-N 2.81Å; D19-H21 VanDerWaalsContact CG-CE1 3.45Å; D19-H21 PolarHBondContact O-N 2.88Å; D19-H21 IonicContact OD1-CE1 3.09Å; D19-H21 PolarHBondContact OD1-CE1 3.25Å; D19-H21 IonicContact OD1-CG 2.79Å; D19-H21 IonicContact OD1-ND1 3.08Å; D19-H21 PolarHBondContact OD1-ND1 3.34Å; D19-H21 IonicContact OD1-NE2 2.62Å; D19-H21 IonicContact OD2-CE1 3.28Å; D19-H21 PolarHBondContact OD2-CE1 3.18Å; D19-H21 IonicContact OD2-CG 3.74Å; D19-H21 IonicContact OD2-ND1 2.7Å; D19-H21 PolarHBondContact OD2-ND1 3.15Å; D19-V22 PolarHBondContact O-N 3.36Å
20	C	88.1	Confident	74.6	Confident	51 Å²	51	94.3 Å²	94.3	35%	0.345	54%	0.536	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	17.6	-175.1	-60.3	0	0	0	0	113.6	A18 V22 W27 C37	A18-C20 PolarHBondContact O-N 2.9Å; C20-V22 PolarHBondContact O-N 3.28Å; C20-W27 HydrophobicContact CB-CZ2 4.4Å; C20-C37 WeakPolarHBondContact CA-SG 3.04Å; C20-C37 HydrophobicContact CB-CB 4.17Å; C20-C37 WeakPolarHBondContact CB-SG 3.48Å; C20-C37 WeakPolarHBondContact SG-CA 3.38Å; C20-C37 WeakPolarHBondContact SG-CB 3.01Å; C20-C37 CovalentContact SG-SG 2.05Å; C20-C37 PolarHBondContact SG-SG 3.22Å
21	H	89.7	Confident	76.6	Confident	157 Å²	157	96 Å²	96	73%	0.727	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-4.9	166.6	-64	145.6	0	0	0	113.8	D19	D19-H21 VanDerWaalsContact CG-CE1 3.45Å; D19-H21 PolarHBondContact O-N 2.88Å; D19-H21 IonicContact OD1-CE1 3.09Å; D19-H21 PolarHBondContact OD1-CE1 3.25Å; D19-H21 IonicContact OD1-CG 2.79Å; D19-H21 IonicContact OD1-ND1 3.08Å; D19-H21 PolarHBondContact OD1-ND1 3.34Å; D19-H21 IonicContact OD1-NE2 2.62Å; D19-H21 IonicContact OD2-CE1 3.28Å; D19-H21 PolarHBondContact OD2-CE1 3.18Å; D19-H21 IonicContact OD2-CG 3.74Å; D19-H21 IonicContact OD2-ND1 2.7Å; D19-H21 PolarHBondContact OD2-ND1 3.15Å
22	V	89.3	Confident	78.6	Confident	50 Å²	50	95.5 Å²	95.5	30%	0.303	53%	0.534	S	S	.	.	S	Bend	trans	-75.5	144.1	166.2	-64.7	0	0	0	0	111.1	D19 C20 W27 I33	D19-V22 PolarHBondContact O-N 3.36Å; C20-V22 PolarHBondContact O-N 3.28Å; V22-W27 PolarHBondContact O-NE1 3.17Å; V22-I33 HydrophobicContact CG2-CD1 4.35Å; V22-I33 HydrophobicContact CG2-CG2 3.78Å
23	P	91.3	Very high	80.6	Confident	72 Å²	72	89.1 Å²	89.1	47%	0.468	50%	0.501	S	S	.	.			trans	-55.9	137	-178.8	-27.3	34.7	0	0	0	113.2	S25 L26	P23-S25 PolarHBondContact O-N 2.75Å; P23-L26 PolarHBondContact O-N 3.18Å
24	P	93.1	Very high	82.7	Confident	90 Å²	90	81.3 Å²	81.3	58%	0.584	47%	0.467	S	S	*	.	G	3₁₀ helix	trans	-55.4	-24.1	-179.5	-28.5	34.2	0	0	0	115.8	L26 W27	P24-L26 PolarHBondContact O-N 2.04Å; P24-L26 VanDerWaalsContact O-N 3.15Å; P24-W27 HydrophobicContact CB-CD2 3.99Å; P24-W27 HydrophobicContact CB-CE3 4.08Å; P24-W27 HydrophobicContact CB-CH2 4.24Å; P24-W27 HydrophobicContact CB-CZ2 4.13Å; P24-W27 HydrophobicContact CB-CZ3 4.21Å; P24-W27 HydrophobicContact CG-CH2 4.02Å; P24-W27 HydrophobicContact CG-CZ2 3.76Å; P24-W27 HydrophobicContact CG-CZ3 4.48Å; P24-W27 PolarHBondContact O-N 3.18Å
25	S	87.9	Confident	84.7	Confident	94 Å²	94	84.4 Å²	84.4	66%	0.657	46%	0.464	S	S	*	.	G	3₁₀ helix	trans	-63.5	-14.6	174.7	57.9	0	0	0	0	114.3	P23	P23-S25 PolarHBondContact O-N 2.75Å
26	L	90.4	Very high	86.5	Confident	69 Å²	69	81.6 Å²	81.6	36%	0.361	45%	0.451	S	S	.	.	G	3₁₀ helix	trans	-105.3	-6.9	179.7	-59.3	179.3	0	0	0	112.9	P23 P24 C28 D29	P23-L26 PolarHBondContact O-N 3.18Å; P24-L26 PolarHBondContact O-N 2.04Å; P24-L26 VanDerWaalsContact O-N 3.15Å; L26-C28 VanDerWaalsContact C-N 3.27Å; L26-C28 PolarHBondContact O-N 3.31Å; L26-D29 WeakPolarHBondContact O-CB 3.3Å; L26-D29 PolarHBondContact O-N 3.12Å
27	W	94	Very high	88.4	Confident	60 Å²	60	78.8 Å²	78.8	23%	0.227	43%	0.426	C	S	.	.	G	3₁₀ helix	trans	-63.6	-33.6	-173.2	-66.8	-8	0	0	0	113	C20 V22 P24 D29 I33 A34 C37 V39	C20-W27 HydrophobicContact CB-CZ2 4.4Å; V22-W27 PolarHBondContact O-NE1 3.17Å; P24-W27 HydrophobicContact CB-CD2 3.99Å; P24-W27 HydrophobicContact CB-CE3 4.08Å; P24-W27 HydrophobicContact CB-CH2 4.24Å; P24-W27 HydrophobicContact CB-CZ2 4.13Å; P24-W27 HydrophobicContact CB-CZ3 4.21Å; P24-W27 HydrophobicContact CG-CH2 4.02Å; P24-W27 HydrophobicContact CG-CZ2 3.76Å; P24-W27 HydrophobicContact CG-CZ3 4.48Å; P24-W27 PolarHBondContact O-N 3.18Å; W27-D29 VanDerWaalsContact C-N 3.33Å; W27-I33 HydrophobicContact CB-CG2 4.4Å; W27-I33 HydrophobicContact CG-CG2 4.33Å; W27-A34 WeakPolarHBondContact O-CA 3.46Å; W27-A34 WeakPolarHBondContact O-CB 3.26Å; W27-A34 PolarHBondContact O-N 3.34Å; W27-C37 HydrophobicContact CD2-CB 4.27Å; W27-V39 HydrophobicContact CB-CG2 3.88Å; W27-V39 HydrophobicContact CD2-CG2 4.48Å; W27-V39 HydrophobicContact CE3-CB 4.47Å; W27-V39 HydrophobicContact CE3-CG1 3.76Å; W27-V39 HydrophobicContact CE3-CG2 4.02Å; W27-V39 HydrophobicContact CZ3-CG1 3.93Å
28	C	93.7	Very high	90.2	Very high	39 Å²	39	78.2 Å²	78.2	26%	0.264	43%	0.432	S	S	.	.	G	3₁₀ helix	trans	-89.2	3.2	177.7	-58.7	0	0	0	0	114.1	L26 C43	L26-C28 VanDerWaalsContact C-N 3.27Å; L26-C28 PolarHBondContact O-N 3.31Å; C28-C43 WeakPolarHBondContact CA-SG 3.45Å; C28-C43 HydrophobicContact CB-CB 3.61Å; C28-C43 WeakPolarHBondContact CB-SG 3.2Å; C28-C43 WeakPolarHBondContact SG-CA 3.37Å; C28-C43 WeakPolarHBondContact SG-CB 3.45Å; C28-C43 CovalentContact SG-SG 2.04Å; C28-C43 PolarHBondContact SG-SG 3.14Å
29	D	90.7	Very high	91.8	Very high	75 Å²	75	78.7 Å²	78.7	40%	0.401	43%	0.433	S	S	.	.	G	3₁₀ helix	trans	-89.5	-11.2	177	-67.9	-25.3	0	0	0	112.5	L26 W27 R235	L26-D29 WeakPolarHBondContact O-CB 3.3Å; L26-D29 PolarHBondContact O-N 3.12Å; W27-D29 VanDerWaalsContact C-N 3.33Å; D29-R235 IonicContact OD1-CZ 3.87Å; D29-R235 IonicContact OD1-NH1 2.68Å; D29-R235 PolarHBondContact OD1-NH1 3.15Å; D29-R235 IonicContact OD1-NH2 3.59Å; D29-R235 PolarHBondContact OD1-NH2 2.92Å
30	D	91.9	Very high	92.9	Very high	75 Å²	75	76 Å²	76	40%	0.401	42%	0.421	S	S	.	.			trans	-142.1	126.1	-178.6	-174	-70.3	0	0	0	110.3	E32 I33 A34	D30-E32 VanDerWaalsContact C-N 3.33Å; D30-E32 PolarHBondContact O-N 2.87Å; D30-E32 WeakPolarHBondContact OD1-CA 3.44Å; D30-E32 WeakPolarHBondContact OD1-CB 3.42Å; D30-E32 PolarHBondContact OD1-N 3.22Å; D30-I33 HydrophobicContact CB-CB 4.07Å; D30-I33 HydrophobicContact CB-CD1 3.73Å; D30-I33 HydrophobicContact CB-CG1 3.79Å; D30-I33 PolarHBondContact O-N 3.16Å; D30-I33 PolarHBondContact OD1-N 3.23Å; D30-I33 VanDerWaalsContact OD1-N 3.07Å; D30-A34 WeakPolarHBondContact O-CB 3.43Å; D30-A34 PolarHBondContact O-N 2.9Å
31	E	93.1	Very high	93.3	Very high	181 Å²	181	77.2 Å²	77.2	85%	0.846	44%	0.435	S	S	*	.	H	α-helix	trans	-66.6	-31.6	-175.7	-67.1	-178.5	-179.7	0	0	113.2	K35	E31-K35 WeakPolarHBondContact O-CB 3.49Å; E31-K35 PolarHBondContact O-N 3.39Å; E31-K35 VanDerWaalsContact O-N 3.09Å
32	E	93.7	Very high	93.7	Very high	116 Å²	116	72.7 Å²	72.7	54%	0.542	43%	0.425	S	S	.	.	H	α-helix	trans	-72.7	-43.9	178.4	-171.7	172.3	-171.4	0	0	110.3	D30 K35 E36	D30-E32 VanDerWaalsContact C-N 3.33Å; D30-E32 PolarHBondContact O-N 2.87Å; D30-E32 WeakPolarHBondContact OD1-CA 3.44Å; D30-E32 WeakPolarHBondContact OD1-CB 3.42Å; D30-E32 PolarHBondContact OD1-N 3.22Å; E32-K35 PolarHBondContact O-N 3.34Å; E32-E36 WeakPolarHBondContact O-CB 3.38Å; E32-E36 PolarHBondContact O-N 2.9Å
33	I	93.8	Very high	94	Very high	30 Å²	30	70.6 Å²	70.6	15%	0.154	41%	0.413	C	S	.	.	H	α-helix	trans	-61.2	-46	173.3	-57.3	-179.7	0	0	0	110.5	A18 V22 W27 D30 K35 E36 C37	A18-I33 HydrophobicContact CB-CB 4.49Å; A18-I33 HydrophobicContact CB-CG1 3.93Å; V22-I33 HydrophobicContact CG2-CD1 4.35Å; V22-I33 HydrophobicContact CG2-CG2 3.78Å; W27-I33 HydrophobicContact CB-CG2 4.4Å; W27-I33 HydrophobicContact CG-CG2 4.33Å; D30-I33 HydrophobicContact CB-CB 4.07Å; D30-I33 HydrophobicContact CB-CD1 3.73Å; D30-I33 HydrophobicContact CB-CG1 3.79Å; D30-I33 PolarHBondContact O-N 3.16Å; D30-I33 PolarHBondContact OD1-N 3.23Å; D30-I33 VanDerWaalsContact OD1-N 3.07Å; I33-K35 PolarHBondContact O-N 3.42Å; I33-E36 PolarHBondContact O-N 3.46Å; I33-C37 WeakPolarHBondContact O-CB 3.26Å; I33-C37 PolarHBondContact O-N 2.87Å
34	A	95.4	Very high	94.2	Very high	5 Å²	5	73.5 Å²	73.5	4%	0.041	42%	0.42	C	S	.	.	H	α-helix	trans	-58.4	-39.8	179.5	0	0	0	0	0	111.9	W27 D30 G38 V39 S40	W27-A34 WeakPolarHBondContact O-CA 3.46Å; W27-A34 WeakPolarHBondContact O-CB 3.26Å; W27-A34 PolarHBondContact O-N 3.34Å; D30-A34 WeakPolarHBondContact O-CB 3.43Å; D30-A34 PolarHBondContact O-N 2.9Å; A34-G38 PolarHBondContact O-N 2.76Å; A34-V39 HydrophobicContact CB-CG2 4.25Å; A34-V39 PolarHBondContact O-N 3.38Å; A34-S40 PolarHBondContact O-N 3.4Å; A34-S40 PolarHBondContact O-OG 3.29Å
35	K	95.7	Very high	94.4	Very high	158 Å²	158	72.9 Å²	72.9	69%	0.687	41%	0.411	S	S	*	.	H	α-helix	trans	-70.9	-49.5	178.8	-176.5	-178	176.9	-174.1	0	111.9	E31 E32 I33 C37 G38 S40	E31-K35 WeakPolarHBondContact O-CB 3.49Å; E31-K35 PolarHBondContact O-N 3.39Å; E31-K35 VanDerWaalsContact O-N 3.09Å; E32-K35 PolarHBondContact O-N 3.34Å; I33-K35 PolarHBondContact O-N 3.42Å; K35-C37 VanDerWaalsContact C-N 3.28Å; K35-C37 PolarHBondContact O-N 2.9Å; K35-G38 PolarHBondContact O-N 3Å; K35-G38 VanDerWaalsContact O-N 3.11Å; K35-S40 VanDerWaalsContact CA-OG 3.25Å; K35-S40 WeakPolarHBondContact CA-OG 3.37Å; K35-S40 PolarHBondContact N-OG 3.27Å
36	E	93.7	Very high	94.7	Very high	114 Å²	114	72.2 Å²	72.2	53%	0.533	40%	0.395	S	S	.	.	H	α-helix	trans	-61.6	-38.8	-179.4	-169.2	67	-177	0	0	111.1	A18 E32 I33 G38	A18-E36 HydrophobicContact CB-CB 4.23Å; A18-E36 HydrophobicContact CB-CG 4.28Å; A18-E36 WeakPolarHBondContact O-CG 3.42Å; E32-E36 WeakPolarHBondContact O-CB 3.38Å; E32-E36 PolarHBondContact O-N 2.9Å; I33-E36 PolarHBondContact O-N 3.46Å; E36-G38 VanDerWaalsContact C-N 3.31Å; E36-G38 PolarHBondContact O-N 2.92Å
37	C	95	Very high	94.8	Very high	23 Å²	23	71.6 Å²	71.6	16%	0.155	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	5.1	177.6	-59.5	0	0	0	0	114.7	C20 W27 I33 K35 V39	C20-C37 WeakPolarHBondContact CA-SG 3.04Å; C20-C37 HydrophobicContact CB-CB 4.17Å; C20-C37 WeakPolarHBondContact CB-SG 3.48Å; C20-C37 WeakPolarHBondContact SG-CA 3.38Å; C20-C37 WeakPolarHBondContact SG-CB 3.01Å; C20-C37 CovalentContact SG-SG 2.05Å; C20-C37 PolarHBondContact SG-SG 3.22Å; W27-C37 HydrophobicContact CD2-CB 4.27Å; I33-C37 WeakPolarHBondContact O-CB 3.26Å; I33-C37 PolarHBondContact O-N 2.87Å; K35-C37 VanDerWaalsContact C-N 3.28Å; K35-C37 PolarHBondContact O-N 2.9Å; C37-V39 VanDerWaalsContact C-N 3.32Å; C37-V39 HydrophobicContact CB-CG2 4.48Å; C37-V39 PolarHBondContact O-N 3.5Å
38	G	95.5	Very high	94.9	Very high	68 Å²	68	77.6 Å²	77.6	70%	0.701	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.2	27.1	173.3	0	0	0	0	0	114.9	A34 K35 E36	A34-G38 PolarHBondContact O-N 2.76Å; K35-G38 PolarHBondContact O-N 3Å; K35-G38 VanDerWaalsContact O-N 3.11Å; E36-G38 VanDerWaalsContact C-N 3.31Å; E36-G38 PolarHBondContact O-N 2.92Å
39	V	96.5	Very high	94.9	Very high	32 Å²	32	79.7 Å²	79.7	19%	0.194	43%	0.427	C	S	.	.			trans	-114.2	5.8	-177.8	-63	0	0	0	0	114.3	W27 A34 C37 A41 A42 C43	W27-V39 HydrophobicContact CB-CG2 3.88Å; W27-V39 HydrophobicContact CD2-CG2 4.48Å; W27-V39 HydrophobicContact CE3-CB 4.47Å; W27-V39 HydrophobicContact CE3-CG1 3.76Å; W27-V39 HydrophobicContact CE3-CG2 4.02Å; W27-V39 HydrophobicContact CZ3-CG1 3.93Å; A34-V39 HydrophobicContact CB-CG2 4.25Å; A34-V39 PolarHBondContact O-N 3.38Å; C37-V39 VanDerWaalsContact C-N 3.32Å; C37-V39 HydrophobicContact CB-CG2 4.48Å; C37-V39 PolarHBondContact O-N 3.5Å; V39-A41 VanDerWaalsContact C-N 3.33Å; V39-A41 PolarHBondContact O-N 2.88Å; V39-A42 PolarHBondContact O-N 3.22Å; V39-C43 PolarHBondContact O-N 2.97Å; V39-C43 PolarHBondContact O-SG 3.03Å
40	S	97.6	Very high	95.1	Very high	37 Å²	37	77.5 Å²	77.5	26%	0.259	42%	0.415	S	S	.	.	H	α-helix	trans	-47.9	-49.5	-178.3	-55.4	0	0	0	0	113.5	A34 K35 A42 C43 E44	A34-S40 PolarHBondContact O-N 3.4Å; A34-S40 PolarHBondContact O-OG 3.29Å; K35-S40 VanDerWaalsContact CA-OG 3.25Å; K35-S40 WeakPolarHBondContact CA-OG 3.37Å; K35-S40 PolarHBondContact N-OG 3.27Å; S40-A42 VanDerWaalsContact C-N 3.32Å; S40-A42 PolarHBondContact O-N 2.83Å; S40-C43 PolarHBondContact O-N 2.93Å; S40-E44 WeakPolarHBondContact O-CB 3.2Å; S40-E44 WeakPolarHBondContact O-CG 3.46Å; S40-E44 PolarHBondContact O-N 2.87Å
41	A	98	Very high	95.2	Very high	76 Å²	76	79.1 Å²	79.1	63%	0.628	42%	0.418	S	S	*	.	H	α-helix	trans	-62.8	-37.1	-179	0	0	0	0	0	113	V39 D45	V39-A41 VanDerWaalsContact C-N 3.33Å; V39-A41 PolarHBondContact O-N 2.88Å; A41-D45 WeakPolarHBondContact O-CB 3.39Å; A41-D45 PolarHBondContact O-N 3.27Å
42	A	97.3	Very high	95.4	Very high	63 Å²	63	73.7 Å²	73.7	52%	0.521	40%	0.395	S	S	.	.	H	α-helix	trans	-70.8	-39.2	176.5	0	0	0	0	0	111.4	V39 S40 D45 Y46	V39-A42 PolarHBondContact O-N 3.22Å; S40-A42 VanDerWaalsContact C-N 3.32Å; S40-A42 PolarHBondContact O-N 2.83Å; A42-D45 PolarHBondContact O-N 2.9Å; A42-Y46 VanDerWaalsContact O-CB 3.25Å; A42-Y46 WeakPolarHBondContact O-CB 3.23Å; A42-Y46 PolarHBondContact O-N 3.35Å
43	C	96.1	Very high	95.5	Very high	6 Å²	6	73.6 Å²	73.6	4%	0.041	40%	0.395	C	S	.	.	H	α-helix	trans	-66.2	-41.2	175.4	-64.5	0	0	0	0	112.2	C28 V39 S40 N47	C28-C43 WeakPolarHBondContact CA-SG 3.45Å; C28-C43 HydrophobicContact CB-CB 3.61Å; C28-C43 WeakPolarHBondContact CB-SG 3.2Å; C28-C43 WeakPolarHBondContact SG-CA 3.37Å; C28-C43 WeakPolarHBondContact SG-CB 3.45Å; C28-C43 CovalentContact SG-SG 2.04Å; C28-C43 PolarHBondContact SG-SG 3.14Å; V39-C43 PolarHBondContact O-N 2.97Å; V39-C43 PolarHBondContact O-SG 3.03Å; S40-C43 PolarHBondContact O-N 2.93Å; C43-N47 VanDerWaalsContact O-CB 3.25Å; C43-N47 WeakPolarHBondContact O-CB 3.34Å; C43-N47 VanDerWaalsContact O-CG 3.28Å; C43-N47 PolarHBondContact O-N 2.92Å; C43-N47 PolarHBondContact O-ND2 3.31Å
44	E	95.9	Very high	95.7	Very high	133 Å²	133	76.3 Å²	76.3	62%	0.621	41%	0.405	S	S	*	.	H	α-helix	trans	-62.3	-46.6	174.5	-75.4	172.3	-164.1	0	0	111.7	S40 N47 R48	S40-E44 WeakPolarHBondContact O-CB 3.2Å; S40-E44 WeakPolarHBondContact O-CG 3.46Å; S40-E44 PolarHBondContact O-N 2.87Å; E44-N47 PolarHBondContact O-N 3.27Å; E44-R48 VanDerWaalsContact O-CB 3.23Å; E44-R48 WeakPolarHBondContact O-CB 3.38Å; E44-R48 PolarHBondContact O-N 3.06Å
45	D	96.9	Very high	95.8	Very high	76 Å²	76	76.1 Å²	76.1	41%	0.406	40%	0.404	S	S	.	.	H	α-helix	trans	-62.8	-45.2	177.3	-176.3	60.5	0	0	0	112	A41 A42 R48 T49	A41-D45 WeakPolarHBondContact O-CB 3.39Å; A41-D45 PolarHBondContact O-N 3.27Å; A42-D45 PolarHBondContact O-N 2.9Å; D45-R48 PolarHBondContact O-N 3.41Å; D45-R48 IonicContact OD1-CZ 2.68Å; D45-R48 IonicContact OD1-NE 3.34Å; D45-R48 IonicContact OD1-NH2 3.18Å; D45-R48 PolarHBondContact OD1-NH2 2.86Å; D45-T49 VanDerWaalsContact O-CB 3.27Å; D45-T49 WeakPolarHBondContact O-CB 3.4Å; D45-T49 PolarHBondContact O-N 3.37Å; D45-T49 PolarHBondContact O-OG1 3.4Å
46	Y	94.1	Very high	96	Very high	81 Å²	81	71.2 Å²	71.2	32%	0.318	39%	0.385	S	S	.	.	H	α-helix	trans	-58.7	-54.6	174.8	172.2	-106.8	0	0	0	111.2	A42 R48 T49 I50 R235	A42-Y46 VanDerWaalsContact O-CB 3.25Å; A42-Y46 WeakPolarHBondContact O-CB 3.23Å; A42-Y46 PolarHBondContact O-N 3.35Å; Y46-R48 VanDerWaalsContact C-N 3.3Å; Y46-R48 PolarHBondContact O-N 3.27Å; Y46-T49 PolarHBondContact O-N 3.06Å; Y46-T49 VanDerWaalsContact O-N 3.09Å; Y46-I50 HydrophobicContact CD1-CD1 4.41Å; Y46-I50 HydrophobicContact CD1-CG1 4.37Å; Y46-I50 HydrophobicContact CD2-CD1 4.36Å; Y46-I50 HydrophobicContact CD2-CG1 4.18Å; Y46-I50 HydrophobicContact CD2-CG2 4.35Å; Y46-I50 HydrophobicContact CE1-CD1 3.67Å; Y46-I50 HydrophobicContact CE1-CG1 4.1Å; Y46-I50 HydrophobicContact CE2-CD1 3.59Å; Y46-I50 HydrophobicContact CE2-CG1 3.89Å; Y46-I50 HydrophobicContact CE2-CG2 4.18Å; Y46-I50 HydrophobicContact CG-CG1 4.43Å; Y46-I50 VanDerWaalsContact O-CG1 3.22Å; Y46-I50 WeakPolarHBondContact O-CG1 3.35Å; Y46-I50 PolarHBondContact O-N 3.09Å; Y46-I50 WeakPolarHBondContact OH-CD1 3.48Å; Y46-R235 HydrophobicContact CE1-CG 4.26Å
47	N	93	Very high	96.2	Very high	55 Å²	55	65.9 Å²	65.9	29%	0.294	36%	0.36	S	S	.	.	H	α-helix	trans	-58.2	-44.1	-179.4	-79.3	-24.8	0	0	0	111.1	C43 E44 T49 F51	C43-N47 VanDerWaalsContact O-CB 3.25Å; C43-N47 WeakPolarHBondContact O-CB 3.34Å; C43-N47 VanDerWaalsContact O-CG 3.28Å; C43-N47 PolarHBondContact O-N 2.92Å; C43-N47 PolarHBondContact O-ND2 3.31Å; E44-N47 PolarHBondContact O-N 3.27Å; N47-T49 VanDerWaalsContact C-N 3.35Å; N47-T49 PolarHBondContact O-N 3.39Å; N47-F51 WeakPolarHBondContact O-CA 3.48Å; N47-F51 VanDerWaalsContact O-CB 3.22Å; N47-F51 WeakPolarHBondContact O-CB 3.32Å; N47-F51 PolarHBondContact O-N 2.68Å
48	R	94.7	Very high	96.4	Very high	186 Å²	186	64.9 Å²	64.9	70%	0.702	35%	0.353	S	S	*	.	H	α-helix	trans	-61.9	-41.4	176.3	179.9	-178.8	63.4	-161.7	-2	112.4	E44 D45 Y46	E44-R48 VanDerWaalsContact O-CB 3.23Å; E44-R48 WeakPolarHBondContact O-CB 3.38Å; E44-R48 PolarHBondContact O-N 3.06Å; D45-R48 PolarHBondContact O-N 3.41Å; D45-R48 IonicContact OD1-CZ 2.68Å; D45-R48 IonicContact OD1-NE 3.34Å; D45-R48 IonicContact OD1-NH2 3.18Å; D45-R48 PolarHBondContact OD1-NH2 2.86Å; Y46-R48 VanDerWaalsContact C-N 3.3Å; Y46-R48 PolarHBondContact O-N 3.27Å
49	T	94.8	Very high	96.5	Very high	84 Å²	84	61.6 Å²	61.6	52%	0.515	32%	0.32	S	S	.	.	H	α-helix	trans	-72.9	-35.2	-174.6	-61.1	0	0	0	0	112.4	D45 Y46 N47 E53	D45-T49 VanDerWaalsContact O-CB 3.27Å; D45-T49 WeakPolarHBondContact O-CB 3.4Å; D45-T49 PolarHBondContact O-N 3.37Å; D45-T49 PolarHBondContact O-OG1 3.4Å; Y46-T49 PolarHBondContact O-N 3.06Å; Y46-T49 VanDerWaalsContact O-N 3.09Å; N47-T49 VanDerWaalsContact C-N 3.35Å; N47-T49 PolarHBondContact O-N 3.39Å; T49-E53 WeakPolarHBondContact O-CG 3.42Å
50	I	93.9	Very high	96.6	Very high	29 Å²	29	60.1 Å²	60.1	15%	0.149	31%	0.31	C	S	.	.	H	α-helix	trans	-109.3	6.9	-174.5	71	142.2	0	0	0	114.1	Y46 N52 E53 R235	Y46-I50 HydrophobicContact CD1-CD1 4.41Å; Y46-I50 HydrophobicContact CD1-CG1 4.37Å; Y46-I50 HydrophobicContact CD2-CD1 4.36Å; Y46-I50 HydrophobicContact CD2-CG1 4.18Å; Y46-I50 HydrophobicContact CD2-CG2 4.35Å; Y46-I50 HydrophobicContact CE1-CD1 3.67Å; Y46-I50 HydrophobicContact CE1-CG1 4.1Å; Y46-I50 HydrophobicContact CE2-CD1 3.59Å; Y46-I50 HydrophobicContact CE2-CG1 3.89Å; Y46-I50 HydrophobicContact CE2-CG2 4.18Å; Y46-I50 HydrophobicContact CG-CG1 4.43Å; Y46-I50 VanDerWaalsContact O-CG1 3.22Å; Y46-I50 WeakPolarHBondContact O-CG1 3.35Å; Y46-I50 PolarHBondContact O-N 3.09Å; Y46-I50 WeakPolarHBondContact OH-CD1 3.48Å; I50-N52 PolarHBondContact O-N 3.44Å; I50-E53 PolarHBondContact O-N 2.91Å; I50-E53 VanDerWaalsContact O-N 3.15Å; I50-R235 HydrophobicContact CD1-CB 3.82Å; I50-R235 HydrophobicContact CD1-CG 3.3Å; I50-R235 HydrophobicContact CG1-CB 4.14Å; I50-R235 HydrophobicContact CG1-CG 3.98Å
51	F	95.3	Very high	96.7	Very high	109 Å²	109	58.3 Å²	58.3	48%	0.478	30%	0.298	S	S	.	.	B	Isolated β-bridge	trans	-60	118.8	-179.9	-167.6	-94.8	0	0	0	110.8	N47 E53	N47-F51 WeakPolarHBondContact O-CA 3.48Å; N47-F51 VanDerWaalsContact O-CB 3.22Å; N47-F51 WeakPolarHBondContact O-CB 3.32Å; N47-F51 PolarHBondContact O-N 2.68Å; F51-E53 PolarHBondContact O-N 3.49Å; F51-E53 VanDerWaalsContact O-N 3.09Å
52	N	95.6	Very high	96.8	Very high	67 Å²	67	54.8 Å²	54.8	36%	0.358	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.4	16.8	-176.8	-62.6	-18.6	0	0	0	114.9	I50 R235 G236 N237	I50-N52 PolarHBondContact O-N 3.44Å; N52-R235 PolarHBondContact N-O 3.06Å; N52-G236 WeakPolarHBondContact OD1-CA 3.22Å; N52-N237 PolarHBondContact ND2-ND2 3.07Å; N52-N237 PolarHBondContact OD1-N 2.93Å
53	E	96.7	Very high	96.8	Very high	114 Å²	114	51.8 Å²	51.8	53%	0.533	24%	0.244	S	C	.	.	P	Polyproline II helix	trans	-78.9	148.9	176.7	-72.6	-59.1	150.9	0	0	111.5	T49 I50 F51	T49-E53 WeakPolarHBondContact O-CG 3.42Å; I50-E53 PolarHBondContact O-N 2.91Å; I50-E53 VanDerWaalsContact O-N 3.15Å; F51-E53 PolarHBondContact O-N 3.49Å; F51-E53 VanDerWaalsContact O-N 3.09Å
54	K	97.8	Very high	96.9	Very high	86 Å²	86	53.8 Å²	53.8	37%	0.374	25%	0.254	S	S	.	.	P	Polyproline II helix	trans	-66.9	148.1	176.6	-62	-162.9	-179.5	-156.1	0	111.1	E86 F87 N89 Q212	K54-E86 WeakPolarHBondContact CE-O 3.41Å; K54-E86 PolarHBondContact NZ-O 2.9Å; K54-F87 CarbonylContact C-O 3.59Å; K54-F87 VanDerWaalsContact CA-O 3.27Å; K54-F87 WeakPolarHBondContact CA-O 3.42Å; K54-N89 VanDerWaalsContact CD-OD1 3.23Å; K54-N89 WeakPolarHBondContact CD-OD1 3.19Å; K54-Q212 PolarHBondContact O-NE2 3.33Å
55	I	98.1	Very high	97.1	Very high	2 Å²	2	47.9 Å²	47.9	1%	0.01	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	121.5	175.9	-56.4	171.9	0	0	0	109	L57 F87 V88 N89 I211 L230 W233 H234	I55-L57 PolarHBondContact O-N 3.39Å; I55-F87 HydrophobicContact CD1-CD2 4.22Å; I55-F87 HydrophobicContact CD1-CE2 4.21Å; I55-F87 PolarHBondContact N-O 2.96Å; I55-V88 CarbonylContact O-C 3.58Å; I55-V88 WeakPolarHBondContact O-CA 3.34Å; I55-N89 PolarHBondContact O-N 3.47Å; I55-I211 HydrophobicContact CG2-CG2 3.6Å; I55-L230 HydrophobicContact CB-CD2 4.48Å; I55-L230 HydrophobicContact CD1-CB 4.34Å; I55-L230 HydrophobicContact CD1-CD2 4.21Å; I55-L230 VanDerWaalsContact CD1-O 3.31Å; I55-L230 WeakPolarHBondContact CD1-O 3.49Å; I55-L230 HydrophobicContact CG2-CD2 3.75Å; I55-W233 HydrophobicContact CD1-CB 4.12Å; I55-W233 HydrophobicContact CD1-CG 4.2Å; I55-H234 HydrophobicContact CD1-CB 4.09Å
56	N	98.4	Very high	97.1	Very high	55 Å²	55	47.9 Å²	47.9	29%	0.294	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	117	170.7	-63.3	-19.7	0	0	0	109.7	N89 I211 Q212	N56-N89 VanDerWaalsContact OD1-CB 3.31Å; N56-N89 WeakPolarHBondContact OD1-CB 3.4Å; N56-N89 PolarHBondContact OD1-ND2 2.83Å; N56-I211 WeakPolarHBondContact O-CA 3.3Å; N56-Q212 VanDerWaalsContact N-OE1 3.09Å; N56-Q212 PolarHBondContact O-N 3.47Å
57	L	98.8	Very high	97.3	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.005	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	113.6	172.9	175.6	66.1	0	0	0	109.4	I55 V59 L76 V80 V88 N89 E91 I209 I211 L226 L230	I55-L57 PolarHBondContact O-N 3.39Å; L57-V59 HydrophobicContact CD2-CG2 4.48Å; L57-V59 HydrophobicContact CG-CG2 4.22Å; L57-L76 HydrophobicContact CD2-CD1 4.1Å; L57-V80 HydrophobicContact CD2-CG1 3.88Å; L57-V88 HydrophobicContact CB-CG1 3.74Å; L57-V88 HydrophobicContact CD2-CG1 4.32Å; L57-N89 PolarHBondContact N-O 3.32Å; L57-E91 PolarHBondContact O-N 2.7Å; L57-I209 HydrophobicContact CD1-CB 4.38Å; L57-I211 HydrophobicContact CD1-CG1 4.15Å; L57-L226 HydrophobicContact CD1-CD2 4.2Å; L57-L226 HydrophobicContact CD2-CD2 4.07Å; L57-L230 HydrophobicContact CD2-CD1 4.37Å
58	T	98.8	Very high	97.6	Very high	2 Å²	2	46.5 Å²	46.5	1%	0.012	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	134.5	171.9	-51.3	0	0	0	0	109.9	L60 E91 V93 R194 I209 L210	T58-L60 HydrophobicContact CG2-CD2 4.1Å; T58-E91 CarbonylContact C-O 3.52Å; T58-E91 VanDerWaalsContact CA-O 3.27Å; T58-E91 WeakPolarHBondContact CA-O 3.41Å; T58-E91 WeakPolarHBondContact CB-OE2 3.5Å; T58-E91 HydrophobicContact CG2-CB 4.1Å; T58-E91 HydrophobicContact CG2-CG 3.99Å; T58-E91 WeakPolarHBondContact CG2-OE2 3.37Å; T58-E91 PolarHBondContact OG1-OE2 3.41Å; T58-V93 HydrophobicContact CG2-CG2 3.78Å; T58-R194 PolarHBondContact OG1-NH2 2.97Å; T58-R194 VanDerWaalsContact OG1-NH2 3.11Å; T58-I209 CarbonylContact O-C 3.52Å; T58-I209 WeakPolarHBondContact O-CA 3.49Å; T58-L210 HydrophobicContact CG2-CD1 4.18Å; T58-L210 PolarHBondContact N-O 2.91Å; T58-L210 PolarHBondContact O-N 3.39Å
59	V	98.9	Very high	97.8	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	111.3	176.7	-175	0	0	0	0	108.9	L57 F71 E91 L92 V93 I209	L57-V59 HydrophobicContact CD2-CG2 4.48Å; L57-V59 HydrophobicContact CG-CG2 4.22Å; V59-F71 HydrophobicContact CB-CE1 4.36Å; V59-F71 HydrophobicContact CG1-CD1 4.01Å; V59-F71 HydrophobicContact CG1-CE1 3.57Å; V59-F71 HydrophobicContact CG1-CZ 4.48Å; V59-F71 HydrophobicContact CG2-CE1 3.8Å; V59-F71 HydrophobicContact CG2-CZ 4.28Å; V59-E91 PolarHBondContact N-O 3.03Å; V59-L92 HydrophobicContact CB-CG 4.41Å; V59-V93 PolarHBondContact O-N 3.47Å; V59-I209 HydrophobicContact CG2-CG2 4.45Å
60	L	98.9	Very high	98	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	125.8	166.7	-42.1	179.9	0	0	0	108.1	T58 V93 T195 I198 H203 V206 P207 W208 L210	T58-L60 HydrophobicContact CG2-CD2 4.1Å; L60-V93 HydrophobicContact CD2-CB 3.65Å; L60-V93 HydrophobicContact CD2-CG1 3.97Å; L60-V93 HydrophobicContact CD2-CG2 3.77Å; L60-T195 HydrophobicContact CD1-CG2 4.23Å; L60-I198 HydrophobicContact CD1-CD1 3.67Å; L60-I198 HydrophobicContact CD1-CG2 4.05Å; L60-H203 HydrophobicContact CD1-CB 4.16Å; L60-V206 HydrophobicContact CB-CG1 4.47Å; L60-P207 WeakPolarHBondContact O-CA 3.46Å; L60-W208 HydrophobicContact CB-CB 4.19Å; L60-W208 HydrophobicContact CD1-CB 4.27Å; L60-W208 HydrophobicContact CD1-CG 4.36Å; L60-W208 HydrophobicContact CG-CB 4.45Å; L60-W208 PolarHBondContact N-O 3.42Å; L60-W208 PolarHBondContact O-N 3.26Å; L60-L210 HydrophobicContact CD1-CD1 4.13Å; L60-L210 HydrophobicContact CD2-CD1 4.22Å; L60-L210 HydrophobicContact CG-CD1 3.93Å
61	Y	98.9	Very high	98.2	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	168.2	-177.9	78.6	-72.8	0	0	0	111.3	I72 L92 V93 P94 Y95 G96 H124 V141	Y61-I72 HydrophobicContact CD2-CD1 3.6Å; Y61-I72 HydrophobicContact CE2-CD1 3.87Å; Y61-I72 HydrophobicContact CG-CD1 4.06Å; Y61-L92 HydrophobicContact CE1-CB 3.85Å; Y61-L92 HydrophobicContact CE1-CD2 4.1Å; Y61-L92 HydrophobicContact CE1-CG 4.16Å; Y61-V93 PolarHBondContact N-O 3.18Å; Y61-V93 VanDerWaalsContact N-O 3.15Å; Y61-V93 VanDerWaalsContact O-O 3.11Å; Y61-P94 HydrophobicContact CE1-CB 3.73Å; Y61-P94 HydrophobicContact CE1-CG 4.26Å; Y61-P94 HydrophobicContact CE2-CB 4.22Å; Y61-P94 WeakPolarHBondContact O-CA 3.48Å; Y61-Y95 PolarHBondContact O-N 3.46Å; Y61-G96 WeakPolarHBondContact O-CA 3.24Å; Y61-G96 PolarHBondContact O-N 3.33Å; Y61-H124 AromaticContact CE2-ND1 3.69Å; Y61-H124 AromaticContact CZ-ND1 3.68Å; Y61-H124 PolarHBondContact OH-ND1 3.48Å; Y61-V141 HydrophobicContact CE2-CG1 4.38Å; Y61-V141 WeakPolarHBondContact OH-CG1 3.28Å
62	E	98.9	Very high	98.4	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.005	16%	0.161	C	C	.	.			trans	-130.2	149.9	168	65.1	-158.9	-158	0	0	110.9	C65 C68 N97 H113 E117 V206	E62-C65 HydrophobicContact CG-CB 3.49Å; E62-C65 VanDerWaalsContact CG-CB 3.49Å; E62-C68 WeakPolarHBondContact O-CB 3.4Å; E62-N97 WeakPolarHBondContact OE2-CB 3.39Å; E62-N97 PolarHBondContact OE2-N 2.79Å; E62-H113 IonicContact OE1-CE1 3.36Å; E62-H113 PolarHBondContact OE1-CE1 2.94Å; E62-H113 IonicContact OE1-ND1 2.75Å; E62-H113 PolarHBondContact OE1-ND1 3.37Å; E62-E117 HydrophobicContact CB-CG 4.37Å; E62-E117 WeakPolarHBondContact CB-OE1 3.49Å; E62-V206 HydrophobicContact CG-CG2 3.79Å
63	T	98.8	Very high	98.6	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	160	171.7	60.5	0	0	0	0	110.1	C65 E117 L120 N121 E145	T63-C65 PolarHBondContact O-N 3.39Å; T63-E117 WeakPolarHBondContact O-CG 3.43Å; T63-E117 PolarHBondContact OG1-O 2.87Å; T63-L120 HydrophobicContact CG2-CB 3.85Å; T63-L120 VanDerWaalsContact OG1-CB 3.24Å; T63-L120 WeakPolarHBondContact OG1-CB 3.31Å; T63-N121 WeakPolarHBondContact CB-OD1 3.13Å; T63-N121 VanDerWaalsContact CG2-OD1 3.29Å; T63-N121 WeakPolarHBondContact CG2-OD1 3.46Å; T63-N121 PolarHBondContact N-OD1 2.93Å; T63-N121 PolarHBondContact OG1-OD1 3.37Å; T63-E145 WeakPolarHBondContact CG2-OE1 2.95Å
64	L	98.3	Very high	98.6	Very high	49 Å²	49	26.1 Å²	26.1	26%	0.257	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.9	11.8	-177.4	-50.4	-177.9	0	0	0	115.4	L116 E117 L120 L148	L64-L116 HydrophobicContact CD1-CB 4.24Å; L64-L116 HydrophobicContact CD1-CD2 4.01Å; L64-L116 HydrophobicContact CD1-CG 3.97Å; L64-E117 HydrophobicContact CD1-CB 4.28Å; L64-L120 HydrophobicContact CD1-CD1 4.25Å; L64-L120 HydrophobicContact CD2-CD1 3.77Å; L64-L120 HydrophobicContact CG-CD1 3.95Å; L64-L148 HydrophobicContact CD2-CD1 4.38Å; L64-L148 HydrophobicContact CD2-CD2 4.26Å
65	C	98.7	Very high	98.7	Very high	9 Å²	9	23.7 Å²	23.7	6%	0.061	13%	0.129	C	C	.	.			trans	-99.1	115.7	174	173.2	0	0	0	0	110.7	E62 T63 D67 C68 Q69	E62-C65 HydrophobicContact CG-CB 3.49Å; E62-C65 VanDerWaalsContact CG-CB 3.49Å; T63-C65 PolarHBondContact O-N 3.39Å; C65-D67 VanDerWaalsContact C-N 3.29Å; C65-D67 PolarHBondContact O-N 3.16Å; C65-C68 HydrophobicContact CB-CB 3.85Å; C65-C68 PolarHBondContact O-N 3.24Å; C65-Q69 WeakPolarHBondContact O-CG 3.44Å; C65-Q69 PolarHBondContact O-N 2.97Å
66	P	98.3	Very high	98.7	Very high	75 Å²	75	23.6 Å²	23.6	49%	0.487	13%	0.128	S	C	.	.	H	α-helix	trans	-55.8	-39	-179.6	-28.5	36.5	0	0	0	114.3	Q69 D70	P66-Q69 WeakPolarHBondContact O-CB 3.34Å; P66-Q69 PolarHBondContact O-N 2.91Å; P66-D70 PolarHBondContact O-N 2.97Å
67	D	98.6	Very high	98.7	Very high	107 Å²	107	24.1 Å²	24.1	57%	0.572	13%	0.129	S	C	*	.	H	α-helix	trans	-69.4	-39.5	179.4	-64.1	-34	0	0	0	111.6	C65 Q69 D70 F71	C65-D67 VanDerWaalsContact C-N 3.29Å; C65-D67 PolarHBondContact O-N 3.16Å; D67-Q69 VanDerWaalsContact C-N 3.34Å; D67-D70 PolarHBondContact O-N 3.18Å; D67-F71 WeakPolarHBondContact O-CB 3.41Å; D67-F71 PolarHBondContact O-N 2.91Å
68	C	98.9	Very high	98.6	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-63.5	-42.2	173.6	-69.6	0	0	0	0	111.1	E62 C65 F71 I72	E62-C68 WeakPolarHBondContact O-CB 3.4Å; C65-C68 HydrophobicContact CB-CB 3.85Å; C65-C68 PolarHBondContact O-N 3.24Å; C68-F71 PolarHBondContact O-N 2.92Å; C68-I72 WeakPolarHBondContact O-CB 3.35Å; C68-I72 VanDerWaalsContact O-CG1 3.28Å; C68-I72 WeakPolarHBondContact O-CG1 3.47Å; C68-I72 PolarHBondContact O-N 2.9Å
69	Q	98.8	Very high	98.6	Very high	12 Å²	12	31.1 Å²	31.1	6%	0.056	16%	0.156	C	C	.	.	H	α-helix	trans	-60.9	-46.7	175.4	-73	169.3	-11.2	0	0	111.6	C65 P66 D67 I72 L73 E145 K149	C65-Q69 WeakPolarHBondContact O-CG 3.44Å; C65-Q69 PolarHBondContact O-N 2.97Å; P66-Q69 WeakPolarHBondContact O-CB 3.34Å; P66-Q69 PolarHBondContact O-N 2.91Å; D67-Q69 VanDerWaalsContact C-N 3.34Å; Q69-I72 PolarHBondContact O-N 3.08Å; Q69-L73 WeakPolarHBondContact O-CB 3.46Å; Q69-L73 WeakPolarHBondContact O-CG 3.42Å; Q69-L73 PolarHBondContact O-N 3.22Å; Q69-E145 HydrophobicContact CG-CB 4.14Å; Q69-E145 WeakPolarHBondContact CG-OE2 3.2Å; Q69-E145 PolarHBondContact NE2-OE2 3.27Å; Q69-K149 HydrophobicContact CB-CB 4.45Å; Q69-K149 HydrophobicContact CB-CD 4.16Å; Q69-K149 HydrophobicContact CB-CG 4.5Å; Q69-K149 HydrophobicContact CG-CB 4.4Å
70	D	98.7	Very high	98.6	Very high	57 Å²	57	31.1 Å²	31.1	31%	0.305	16%	0.156	S	C	.	.	H	α-helix	trans	-65.9	-40.4	179.3	-78.2	-27.8	0	0	0	112.2	P66 D67 L73 L74 K149	P66-D70 PolarHBondContact O-N 2.97Å; D67-D70 PolarHBondContact O-N 3.18Å; D70-L73 PolarHBondContact O-N 3.24Å; D70-L74 HydrophobicContact CB-CD1 4.07Å; D70-L74 WeakPolarHBondContact O-CA 3.27Å; D70-L74 WeakPolarHBondContact O-CB 3.4Å; D70-L74 VanDerWaalsContact O-CG 3.25Å; D70-L74 WeakPolarHBondContact O-CG 3.27Å; D70-L74 PolarHBondContact O-N 3.27Å; D70-K149 WeakPolarHBondContact OD1-CE 3.5Å; D70-K149 IonicContact OD1-NZ 3.41Å; D70-K149 PolarHBondContact OD1-NZ 2.91Å; D70-K149 IonicContact OD2-NZ 2.97Å; D70-K149 PolarHBondContact OD2-NZ 3.27Å
71	F	98.9	Very high	98.5	Very high	10 Å²	10	32.7 Å²	32.7	4%	0.044	16%	0.162	C	C	.	.	H	α-helix	trans	-61.7	-48.6	173.3	177	-91.4	0	0	0	112.2	V59 D67 C68 L73 Q75 L76 P207 I209 Q223 L226	V59-F71 HydrophobicContact CB-CE1 4.36Å; V59-F71 HydrophobicContact CG1-CD1 4.01Å; V59-F71 HydrophobicContact CG1-CE1 3.57Å; V59-F71 HydrophobicContact CG1-CZ 4.48Å; V59-F71 HydrophobicContact CG2-CE1 3.8Å; V59-F71 HydrophobicContact CG2-CZ 4.28Å; D67-F71 WeakPolarHBondContact O-CB 3.41Å; D67-F71 PolarHBondContact O-N 2.91Å; C68-F71 PolarHBondContact O-N 2.92Å; F71-L73 VanDerWaalsContact C-N 3.32Å; F71-L73 PolarHBondContact O-N 2.95Å; F71-Q75 HydrophobicContact CD2-CB 4Å; F71-Q75 HydrophobicContact CD2-CG 4.18Å; F71-Q75 HydrophobicContact CE2-CB 4.1Å; F71-Q75 WeakPolarHBondContact O-CA 3.48Å; F71-Q75 WeakPolarHBondContact O-CB 3.31Å; F71-Q75 PolarHBondContact O-N 3.21Å; F71-L76 HydrophobicContact CE1-CB 4.33Å; F71-L76 PolarHBondContact O-N 3.35Å; F71-P207 HydrophobicContact CB-CB 4.12Å; F71-P207 HydrophobicContact CB-CG 3.54Å; F71-P207 HydrophobicContact CD1-CB 4.1Å; F71-P207 HydrophobicContact CD1-CG 4.39Å; F71-P207 HydrophobicContact CD2-CG 4.28Å; F71-P207 HydrophobicContact CG-CB 4.03Å; F71-P207 HydrophobicContact CG-CG 3.82Å; F71-I209 HydrophobicContact CE1-CG2 4.3Å; F71-I209 HydrophobicContact CE2-CG2 3.98Å; F71-I209 HydrophobicContact CZ-CG2 3.55Å; F71-Q223 HydrophobicContact CD2-CB 4.21Å; F71-Q223 HydrophobicContact CD2-CG 4.36Å; F71-Q223 HydrophobicContact CE2-CB 4.01Å; F71-Q223 HydrophobicContact CE2-CG 3.95Å; F71-L226 HydrophobicContact CE2-CD2 3.85Å; F71-L226 HydrophobicContact CZ-CD2 3.57Å
72	I	98.9	Very high	98.5	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	19%	0.192	C	C	.	.	I	π-helix	trans	-61.5	-40.6	-178.9	-73.3	168.6	0	0	0	111.2	Y61 C68 Q69 L76 E77 V142 E145	Y61-I72 HydrophobicContact CD2-CD1 3.6Å; Y61-I72 HydrophobicContact CE2-CD1 3.87Å; Y61-I72 HydrophobicContact CG-CD1 4.06Å; C68-I72 WeakPolarHBondContact O-CB 3.35Å; C68-I72 VanDerWaalsContact O-CG1 3.28Å; C68-I72 WeakPolarHBondContact O-CG1 3.47Å; C68-I72 PolarHBondContact O-N 2.9Å; Q69-I72 PolarHBondContact O-N 3.08Å; I72-L76 HydrophobicContact CG1-CD2 4.4Å; I72-L76 WeakPolarHBondContact O-CB 3.01Å; I72-E77 WeakPolarHBondContact O-CB 3.47Å; I72-E77 PolarHBondContact O-N 2.79Å; I72-V142 HydrophobicContact CG2-CG2 3.86Å; I72-E145 HydrophobicContact CD1-CG 3.86Å; I72-E145 HydrophobicContact CG2-CB 4.41Å; I72-E145 HydrophobicContact CG2-CG 4.41Å
73	L	98.7	Very high	98.4	Very high	20 Å²	20	42.1 Å²	42.1	11%	0.105	20%	0.198	C	C	.	.	I	π-helix	trans	-85.2	-39.5	-176.2	-60.7	175	0	0	0	113.3	Q69 D70 F71 R78 V142 K146 K149	Q69-L73 WeakPolarHBondContact O-CB 3.46Å; Q69-L73 WeakPolarHBondContact O-CG 3.42Å; Q69-L73 PolarHBondContact O-N 3.22Å; D70-L73 PolarHBondContact O-N 3.24Å; F71-L73 VanDerWaalsContact C-N 3.32Å; F71-L73 PolarHBondContact O-N 2.95Å; L73-R78 WeakPolarHBondContact O-CB 3.4Å; L73-V142 HydrophobicContact CD2-CG1 4.04Å; L73-K146 HydrophobicContact CD1-CB 4.26Å; L73-K146 HydrophobicContact CD2-CB 3.79Å; L73-K146 HydrophobicContact CD2-CG 4.42Å; L73-K149 HydrophobicContact CD1-CD 3.98Å
74	L	98.2	Very high	98.4	Very high	63 Å²	63	42.1 Å²	42.1	33%	0.33	20%	0.198	S	C	.	.	I	π-helix	trans	-97.2	-22.4	-169.7	-51.8	179.9	0	0	0	113.3	D70 R78 F79	D70-L74 HydrophobicContact CB-CD1 4.07Å; D70-L74 WeakPolarHBondContact O-CA 3.27Å; D70-L74 WeakPolarHBondContact O-CB 3.4Å; D70-L74 VanDerWaalsContact O-CG 3.25Å; D70-L74 WeakPolarHBondContact O-CG 3.27Å; D70-L74 PolarHBondContact O-N 3.27Å; L74-R78 WeakPolarHBondContact O-CB 3.48Å; L74-F79 WeakPolarHBondContact O-CD2 3.37Å; L74-F79 VanDerWaalsContact O-CE2 3.28Å; L74-F79 WeakPolarHBondContact O-CE2 3.36Å
75	Q	98.5	Very high	98.3	Very high	34 Å²	34	44.8 Å²	44.8	16%	0.159	21%	0.205	C	C	.	.	I	π-helix	trans	-112.3	-59.2	178.5	-59.8	-64.1	-24.1	0	0	111.1	F71 F79 V80 Q223 T224	F71-Q75 HydrophobicContact CD2-CB 4Å; F71-Q75 HydrophobicContact CD2-CG 4.18Å; F71-Q75 HydrophobicContact CE2-CB 4.1Å; F71-Q75 WeakPolarHBondContact O-CA 3.48Å; F71-Q75 WeakPolarHBondContact O-CB 3.31Å; F71-Q75 PolarHBondContact O-N 3.21Å; Q75-F79 PolarHBondContact O-N 3.22Å; Q75-F79 VanDerWaalsContact O-N 3.15Å; Q75-V80 PolarHBondContact O-N 2.9Å; Q75-V80 VanDerWaalsContact O-N 3.17Å; Q75-Q223 VanDerWaalsContact CD-O 3.3Å; Q75-Q223 WeakPolarHBondContact CG-O 3.34Å; Q75-Q223 PolarHBondContact OE1-O 3.39Å; Q75-T224 PolarHBondContact NE2-O 2.83Å; Q75-T224 VanDerWaalsContact NE2-O 3.09Å
76	L	98.7	Very high	98.1	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	24%	0.235	C	C	.	.	I	π-helix	trans	-65.7	-63.5	-174.9	-174.6	69.6	0	0	0	111.6	L57 F71 I72 V80 W81 F90 L92	L57-L76 HydrophobicContact CD2-CD1 4.1Å; F71-L76 HydrophobicContact CE1-CB 4.33Å; F71-L76 PolarHBondContact O-N 3.35Å; I72-L76 HydrophobicContact CG1-CD2 4.4Å; I72-L76 WeakPolarHBondContact O-CB 3.01Å; L76-V80 HydrophobicContact CD1-CB 4.22Å; L76-V80 HydrophobicContact CD1-CG1 4.46Å; L76-V80 CarbonylContact O-C 3.54Å; L76-V80 PolarHBondContact O-N 3.14Å; L76-V80 VanDerWaalsContact O-N 3.15Å; L76-W81 WeakPolarHBondContact O-CB 3.23Å; L76-W81 PolarHBondContact O-N 2.04Å; L76-F90 HydrophobicContact CD1-CD1 3.89Å; L76-F90 HydrophobicContact CD1-CE1 3.8Å; L76-L92 HydrophobicContact CD2-CD1 4.11Å; L76-L92 HydrophobicContact CD2-CD2 4.16Å
77	E	98.4	Very high	98	Very high	67 Å²	67	48.4 Å²	48.4	31%	0.313	21%	0.214	S	C	.	.	I	π-helix	trans	-60.7	-52.8	-179.7	-179	-166.3	-155	0	0	111.1	I72 F79 R82 V142	I72-E77 WeakPolarHBondContact O-CB 3.47Å; I72-E77 PolarHBondContact O-N 2.79Å; E77-F79 PolarHBondContact O-N 2.62Å; E77-R82 PolarHBondContact O-N 2.97Å; E77-V142 HydrophobicContact CB-CG1 4.01Å; E77-V142 HydrophobicContact CB-CG2 4.09Å; E77-V142 HydrophobicContact CG-CG1 3.78Å; E77-V142 HydrophobicContact CG-CG2 4.48Å; E77-V142 WeakPolarHBondContact OE1-CG1 3.03Å
78	R	97.5	Very high	98	Very high	124 Å²	124	43.4 Å²	43.4	47%	0.468	19%	0.188	S	C	.	.	I	π-helix	trans	-64.7	-38.2	-168.4	-177.6	179.5	-69.7	-169.8	-4.9	113.5	L73 L74 R82	L73-R78 WeakPolarHBondContact O-CB 3.4Å; L74-R78 WeakPolarHBondContact O-CB 3.48Å; R78-R82 WeakPolarHBondContact O-CB 3.02Å; R78-R82 WeakPolarHBondContact O-CD 3.49Å
79	F	98	Very high	98	Very high	26 Å²	26	46.7 Å²	46.7	11%	0.114	21%	0.205	C	C	.	.	I	π-helix	trans	-119.5	-60	-173.8	-55.8	-59.4	0	0	0	112	L74 Q75 E77 R82 F83 F227 Y245 M248	L74-F79 WeakPolarHBondContact O-CD2 3.37Å; L74-F79 VanDerWaalsContact O-CE2 3.28Å; L74-F79 WeakPolarHBondContact O-CE2 3.36Å; Q75-F79 PolarHBondContact O-N 3.22Å; Q75-F79 VanDerWaalsContact O-N 3.15Å; E77-F79 PolarHBondContact O-N 2.62Å; F79-R82 PolarHBondContact O-N 3.3Å; F79-F83 HydrophobicContact CD1-CE2 4.13Å; F79-F83 WeakPolarHBondContact O-CB 3.36Å; F79-F83 VanDerWaalsContact O-CD2 3.29Å; F79-F83 WeakPolarHBondContact O-CD2 3.2Å; F79-F83 PolarHBondContact O-N 2.91Å; F79-F227 HydrophobicContact CB-CB 3.73Å; F79-F227 HydrophobicContact CB-CG 4.21Å; F79-Y245 HydrophobicContact CB-CE2 4.49Å; F79-Y245 HydrophobicContact CD1-CD2 4.12Å; F79-Y245 AromaticContact CD1-CE2 3.67Å; F79-Y245 HydrophobicContact CD1-CE2 3.67Å; F79-Y245 HydrophobicContact CE1-CE2 4.08Å; F79-Y245 HydrophobicContact CG-CE2 4.15Å; F79-M248 HydrophobicContact CD1-CE 4.36Å; F79-M248 HydrophobicContact CE1-CE 3.9Å; F79-M248 HydrophobicContact CE1-SD 4.3Å
80	V	98.5	Very high	98	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	21%	0.208	C	C	.	.	I	π-helix	trans	-66.4	-46.1	-170.9	-170.8	0	0	0	0	112.1	L57 Q75 L76 G84 V88 F90 L226 F227 L230	L57-V80 HydrophobicContact CD2-CG1 3.88Å; Q75-V80 PolarHBondContact O-N 2.9Å; Q75-V80 VanDerWaalsContact O-N 3.17Å; L76-V80 HydrophobicContact CD1-CB 4.22Å; L76-V80 HydrophobicContact CD1-CG1 4.46Å; L76-V80 CarbonylContact O-C 3.54Å; L76-V80 PolarHBondContact O-N 3.14Å; L76-V80 VanDerWaalsContact O-N 3.15Å; V80-G84 WeakPolarHBondContact O-CA 3.35Å; V80-G84 PolarHBondContact O-N 3.28Å; V80-V88 HydrophobicContact CG1-CG1 4.14Å; V80-V88 HydrophobicContact CG1-CG2 4.27Å; V80-F90 HydrophobicContact CB-CE1 4.42Å; V80-F90 HydrophobicContact CG1-CE1 3.67Å; V80-F90 HydrophobicContact CG1-CZ 4.04Å; V80-L226 HydrophobicContact CG2-CB 4.47Å; V80-L226 HydrophobicContact CG2-CD2 4.03Å; V80-L226 HydrophobicContact CG2-CG 4.09Å; V80-F227 HydrophobicContact CB-CD2 4.33Å; V80-F227 HydrophobicContact CG1-CD2 4.43Å; V80-F227 HydrophobicContact CG2-CB 4.16Å; V80-F227 HydrophobicContact CG2-CD2 4.27Å; V80-L230 HydrophobicContact CG1-CD1 3.69Å; V80-L230 HydrophobicContact CG2-CD1 4.14Å
81	W	98.2	Very high	98	Very high	32 Å²	32	48 Å²	48	12%	0.121	21%	0.209	C	C	.	.	I	π-helix	trans	-69.5	-43.4	175.3	179.2	-115	0	0	0	111.4	L76 F83 R85 F90 V134 E135 L138 P139	L76-W81 WeakPolarHBondContact O-CB 3.23Å; L76-W81 PolarHBondContact O-N 2.04Å; W81-F83 VanDerWaalsContact C-N 3.35Å; W81-F83 PolarHBondContact O-N 3.38Å; W81-R85 HydrophobicContact CD2-CG 3.78Å; W81-R85 HydrophobicContact CE3-CG 3.43Å; W81-R85 VanDerWaalsContact CE3-CG 3.43Å; W81-R85 HydrophobicContact CH2-CG 3.82Å; W81-R85 HydrophobicContact CZ2-CG 4.13Å; W81-R85 HydrophobicContact CZ3-CG 3.45Å; W81-R85 VanDerWaalsContact CZ3-CG 3.45Å; W81-R85 WeakPolarHBondContact O-CD 3.25Å; W81-R85 WeakPolarHBondContact O-CG 3.22Å; W81-F90 HydrophobicContact CE3-CD2 4.21Å; W81-F90 HydrophobicContact CE3-CE1 4.39Å; W81-F90 AromaticContact CE3-CE2 3.69Å; W81-F90 HydrophobicContact CE3-CE2 3.69Å; W81-F90 AromaticContact CE3-CZ 3.79Å; W81-F90 HydrophobicContact CE3-CZ 3.79Å; W81-F90 HydrophobicContact CZ3-CD2 4.09Å; W81-F90 AromaticContact CZ3-CE2 3.83Å; W81-F90 HydrophobicContact CZ3-CE2 3.83Å; W81-F90 HydrophobicContact CZ3-CZ 4.4Å; W81-V134 HydrophobicContact CH2-CG2 4.18Å; W81-V134 HydrophobicContact CZ3-CG2 3.8Å; W81-E135 HydrophobicContact CH2-CG 4.37Å; W81-E135 VanDerWaalsContact CH2-OE1 3.26Å; W81-E135 WeakPolarHBondContact CH2-OE1 3.27Å; W81-E135 WeakPolarHBondContact CH2-OE2 3.42Å; W81-E135 WeakPolarHBondContact CZ2-OE2 3Å; W81-L138 HydrophobicContact CB-CD2 4.23Å; W81-L138 HydrophobicContact CD2-CD1 4.23Å; W81-L138 HydrophobicContact CD2-CD2 3.68Å; W81-L138 HydrophobicContact CE3-CD1 3.7Å; W81-L138 HydrophobicContact CE3-CD2 4.03Å; W81-L138 HydrophobicContact CE3-CG 4.39Å; W81-L138 HydrophobicContact CG-CD2 3.76Å; W81-L138 HydrophobicContact CZ3-CD1 4.08Å; W81-P139 HydrophobicContact CZ2-CG 4.35Å
82	R	97.7	Very high	98	Very high	171 Å²	171	47.9 Å²	47.9	65%	0.645	21%	0.209	S	C	*	.	H	α-helix	trans	-61.7	-41.2	-178.1	-179.3	173.3	177.6	171.8	0.4	113.4	E77 R78 F79	E77-R82 PolarHBondContact O-N 2.97Å; R78-R82 WeakPolarHBondContact O-CB 3.02Å; R78-R82 WeakPolarHBondContact O-CD 3.49Å; F79-R82 PolarHBondContact O-N 3.3Å
83	F	98	Very high	98	Very high	28 Å²	28	47.9 Å²	47.9	12%	0.123	21%	0.209	C	C	.	.	H	α-helix	trans	-112.9	-21.9	-171.6	-59.8	-71.4	0	0	0	113	F79 W81 F227 G241 A244 Y245 M248	F79-F83 HydrophobicContact CD1-CE2 4.13Å; F79-F83 WeakPolarHBondContact O-CB 3.36Å; F79-F83 VanDerWaalsContact O-CD2 3.29Å; F79-F83 WeakPolarHBondContact O-CD2 3.2Å; F79-F83 PolarHBondContact O-N 2.91Å; W81-F83 VanDerWaalsContact C-N 3.35Å; W81-F83 PolarHBondContact O-N 3.38Å; F83-F227 HydrophobicContact CB-CD1 4.28Å; F83-F227 HydrophobicContact CB-CE1 3.47Å; F83-F227 VanDerWaalsContact CB-CE1 3.47Å; F83-F227 HydrophobicContact CB-CE2 3.92Å; F83-F227 HydrophobicContact CB-CZ 3.25Å; F83-F227 HydrophobicContact CD2-CE1 4.4Å; F83-F227 HydrophobicContact CG-CE1 4.19Å; F83-F227 HydrophobicContact CG-CZ 4.41Å; F83-G241 WeakPolarHBondContact O-CA 3.42Å; F83-A244 HydrophobicContact CD1-CB 4.04Å; F83-A244 HydrophobicContact CE1-CB 4.19Å; F83-Y245 HydrophobicContact CD2-CD2 4.09Å; F83-Y245 HydrophobicContact CE2-CD2 4.13Å; F83-M248 HydrophobicContact CE2-SD 4.24Å; F83-M248 HydrophobicContact CZ-SD 4.05Å
84	G	98	Very high	98	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-98.9	-2.7	-170.6	0	0	0	0	0	116.7	V80 E86 F87 V88	V80-G84 WeakPolarHBondContact O-CA 3.35Å; V80-G84 PolarHBondContact O-N 3.28Å; G84-E86 PolarHBondContact O-N 3.46Å; G84-F87 PolarHBondContact O-N 3.02Å; G84-V88 WeakPolarHBondContact O-CB 3.25Å; G84-V88 PolarHBondContact O-N 3.22Å
85	R	95.6	Very high	98	Very high	105 Å²	105	44 Å²	44	40%	0.396	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.8	-37.9	-174.1	-86.5	165.4	75.5	-158.8	-4.2	115.2	W81 E135	W81-R85 HydrophobicContact CD2-CG 3.78Å; W81-R85 HydrophobicContact CE3-CG 3.43Å; W81-R85 VanDerWaalsContact CE3-CG 3.43Å; W81-R85 HydrophobicContact CH2-CG 3.82Å; W81-R85 HydrophobicContact CZ2-CG 4.13Å; W81-R85 HydrophobicContact CZ3-CG 3.45Å; W81-R85 VanDerWaalsContact CZ3-CG 3.45Å; W81-R85 WeakPolarHBondContact O-CD 3.25Å; W81-R85 WeakPolarHBondContact O-CG 3.22Å; R85-E135 IonicContact CZ-OE1 3.07Å; R85-E135 IonicContact CZ-OE2 3.69Å; R85-E135 IonicContact NE-OE1 2.73Å; R85-E135 PolarHBondContact NE-OE1 3.07Å; R85-E135 IonicContact NE-OE2 3.31Å; R85-E135 PolarHBondContact NE-OE2 3.04Å; R85-E135 IonicContact NH2-OE1 3.27Å; R85-E135 PolarHBondContact NH2-OE1 3.27Å; R85-E135 IonicContact NH2-OE2 2.99Å; R85-E135 PolarHBondContact NH2-OE2 2.98Å
86	E	94.8	Very high	98	Very high	150 Å²	150	42.3 Å²	42.3	70%	0.701	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-28.5	-177.2	-62.5	-54.7	136.7	0	0	113.1	K54 G84	K54-E86 WeakPolarHBondContact CE-O 3.41Å; K54-E86 PolarHBondContact NZ-O 2.9Å; G84-E86 PolarHBondContact O-N 3.46Å
87	F	97.1	Very high	98	Very high	10 Å²	10	43.8 Å²	43.8	4%	0.044	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.6	2.1	-171.9	75.5	-89.5	0	0	0	114.9	K54 I55 G84 F227 L230 H234 P239 C242	K54-F87 CarbonylContact C-O 3.59Å; K54-F87 VanDerWaalsContact CA-O 3.27Å; K54-F87 WeakPolarHBondContact CA-O 3.42Å; I55-F87 HydrophobicContact CD1-CD2 4.22Å; I55-F87 HydrophobicContact CD1-CE2 4.21Å; I55-F87 PolarHBondContact N-O 2.96Å; G84-F87 PolarHBondContact O-N 3.02Å; F87-F227 AromaticContact CE1-CE2 3.91Å; F87-F227 HydrophobicContact CE1-CE2 3.91Å; F87-F227 AromaticContact CE1-CZ 3.9Å; F87-F227 HydrophobicContact CE1-CZ 3.9Å; F87-F227 AromaticContact CZ-CE2 3.52Å; F87-F227 HydrophobicContact CZ-CE2 3.52Å; F87-F227 AromaticContact CZ-CZ 3.75Å; F87-F227 HydrophobicContact CZ-CZ 3.75Å; F87-L230 HydrophobicContact CE2-CB 4.37Å; F87-H234 AromaticContact CD2-CD2 3.99Å; F87-P239 HydrophobicContact CB-CB 4.3Å; F87-P239 HydrophobicContact CB-CG 4Å; F87-P239 HydrophobicContact CD1-CB 3.37Å; F87-P239 HydrophobicContact CD1-CG 3.66Å; F87-P239 HydrophobicContact CD2-CG 4.02Å; F87-P239 HydrophobicContact CE1-CB 3.71Å; F87-P239 HydrophobicContact CE1-CG 4.04Å; F87-P239 HydrophobicContact CE2-CG 4.39Å; F87-P239 HydrophobicContact CG-CB 3.88Å; F87-P239 HydrophobicContact CG-CG 3.63Å; F87-P239 HydrophobicContact CZ-CB 4.49Å; F87-P239 HydrophobicContact CZ-CG 4.4Å; F87-C242 WeakPolarHBondContact CZ-SG 3.43Å
88	V	98.5	Very high	98	Very high	3 Å²	3	40.6 Å²	40.6	2%	0.018	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	126.3	177.1	-179.4	0	0	0	0	109.7	I55 L57 V80 G84 F90 L230	I55-V88 CarbonylContact O-C 3.58Å; I55-V88 WeakPolarHBondContact O-CA 3.34Å; L57-V88 HydrophobicContact CB-CG1 3.74Å; L57-V88 HydrophobicContact CD2-CG1 4.32Å; V80-V88 HydrophobicContact CG1-CG1 4.14Å; V80-V88 HydrophobicContact CG1-CG2 4.27Å; G84-V88 WeakPolarHBondContact O-CB 3.25Å; G84-V88 PolarHBondContact O-N 3.22Å; V88-F90 HydrophobicContact CB-CE1 4.42Å; V88-F90 HydrophobicContact CB-CE2 4.03Å; V88-F90 HydrophobicContact CB-CZ 3.86Å; V88-F90 HydrophobicContact CG1-CD1 4.16Å; V88-F90 HydrophobicContact CG1-CD2 4.42Å; V88-F90 HydrophobicContact CG1-CE1 3.82Å; V88-F90 HydrophobicContact CG1-CE2 4.07Å; V88-F90 HydrophobicContact CG1-CG 4.46Å; V88-F90 HydrophobicContact CG1-CZ 3.75Å; V88-F90 WeakPolarHBondContact O-CD2 2.99Å; V88-F90 WeakPolarHBondContact O-CE2 3.08Å; V88-L230 HydrophobicContact CG2-CD1 4.17Å
89	N	98.6	Very high	98	Very high	69 Å²	69	41.3 Å²	41.3	37%	0.369	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	133.9	166.4	-66.4	-34.2	0	0	0	108.8	K54 I55 N56 L57	K54-N89 VanDerWaalsContact CD-OD1 3.23Å; K54-N89 WeakPolarHBondContact CD-OD1 3.19Å; I55-N89 PolarHBondContact O-N 3.47Å; N56-N89 VanDerWaalsContact OD1-CB 3.31Å; N56-N89 WeakPolarHBondContact OD1-CB 3.4Å; N56-N89 PolarHBondContact OD1-ND2 2.83Å; L57-N89 PolarHBondContact N-O 3.32Å
90	F	98.8	Very high	98	Very high	27 Å²	27	42.5 Å²	42.5	12%	0.118	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	128	-173.7	-60.1	-91.4	0	0	0	111.5	L76 V80 W81 V88 V134 W137 L138	L76-F90 HydrophobicContact CD1-CD1 3.89Å; L76-F90 HydrophobicContact CD1-CE1 3.8Å; V80-F90 HydrophobicContact CB-CE1 4.42Å; V80-F90 HydrophobicContact CG1-CE1 3.67Å; V80-F90 HydrophobicContact CG1-CZ 4.04Å; W81-F90 HydrophobicContact CE3-CD2 4.21Å; W81-F90 HydrophobicContact CE3-CE1 4.39Å; W81-F90 AromaticContact CE3-CE2 3.69Å; W81-F90 HydrophobicContact CE3-CE2 3.69Å; W81-F90 AromaticContact CE3-CZ 3.79Å; W81-F90 HydrophobicContact CE3-CZ 3.79Å; W81-F90 HydrophobicContact CZ3-CD2 4.09Å; W81-F90 AromaticContact CZ3-CE2 3.83Å; W81-F90 HydrophobicContact CZ3-CE2 3.83Å; W81-F90 HydrophobicContact CZ3-CZ 4.4Å; V88-F90 HydrophobicContact CB-CE1 4.42Å; V88-F90 HydrophobicContact CB-CE2 4.03Å; V88-F90 HydrophobicContact CB-CZ 3.86Å; V88-F90 HydrophobicContact CG1-CD1 4.16Å; V88-F90 HydrophobicContact CG1-CD2 4.42Å; V88-F90 HydrophobicContact CG1-CE1 3.82Å; V88-F90 HydrophobicContact CG1-CE2 4.07Å; V88-F90 HydrophobicContact CG1-CG 4.46Å; V88-F90 HydrophobicContact CG1-CZ 3.75Å; V88-F90 WeakPolarHBondContact O-CD2 2.99Å; V88-F90 WeakPolarHBondContact O-CE2 3.08Å; F90-V134 HydrophobicContact CB-CG2 4.05Å; F90-V134 HydrophobicContact CD2-CG2 3.99Å; F90-V134 HydrophobicContact CG-CG2 4.31Å; F90-W137 HydrophobicContact CB-CH2 3.84Å; F90-W137 HydrophobicContact CB-CZ2 4.34Å; F90-L138 HydrophobicContact CB-CD1 4.15Å; F90-L138 HydrophobicContact CD1-CD1 3.79Å; F90-L138 HydrophobicContact CD2-CD1 4.41Å; F90-L138 HydrophobicContact CE1-CD1 4.28Å; F90-L138 HydrophobicContact CG-CD1 3.86Å
91	E	98.8	Very high	97.9	Very high	70 Å²	70	48.1 Å²	48.1	33%	0.327	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	121.2	167.8	-176.6	-171	-164.1	0	0	109	L57 T58 V59 V93 R194	L57-E91 PolarHBondContact O-N 2.7Å; T58-E91 CarbonylContact C-O 3.52Å; T58-E91 VanDerWaalsContact CA-O 3.27Å; T58-E91 WeakPolarHBondContact CA-O 3.41Å; T58-E91 WeakPolarHBondContact CB-OE2 3.5Å; T58-E91 HydrophobicContact CG2-CB 4.1Å; T58-E91 HydrophobicContact CG2-CG 3.99Å; T58-E91 WeakPolarHBondContact CG2-OE2 3.37Å; T58-E91 PolarHBondContact OG1-OE2 3.41Å; V59-E91 PolarHBondContact N-O 3.03Å; E91-V93 HydrophobicContact CG-CG2 4.11Å; E91-R194 WeakPolarHBondContact OE1-CD 3.37Å; E91-R194 IonicContact OE1-CZ 3.68Å; E91-R194 IonicContact OE1-NE 3.18Å; E91-R194 PolarHBondContact OE1-NE 3.2Å; E91-R194 IonicContact OE1-NH2 3.99Å; E91-R194 IonicContact OE2-CZ 2.99Å; E91-R194 IonicContact OE2-NE 2.68Å; E91-R194 PolarHBondContact OE2-NE 3.18Å; E91-R194 VanDerWaalsContact OE2-NE 3.12Å; E91-R194 IonicContact OE2-NH2 2.64Å; E91-R194 PolarHBondContact OE2-NH2 2.96Å
92	L	98.9	Very high	97.8	Very high	6 Å²	6	50.1 Å²	50.1	3%	0.031	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	125.8	177	-93.5	72.7	0	0	0	109.3	V59 Y61 L76 P94 I128 W137 V141	V59-L92 HydrophobicContact CB-CG 4.41Å; Y61-L92 HydrophobicContact CE1-CB 3.85Å; Y61-L92 HydrophobicContact CE1-CD2 4.1Å; Y61-L92 HydrophobicContact CE1-CG 4.16Å; L76-L92 HydrophobicContact CD2-CD1 4.11Å; L76-L92 HydrophobicContact CD2-CD2 4.16Å; L92-P94 WeakPolarHBondContact O-CD 3.46Å; L92-I128 HydrophobicContact CB-CD1 4.14Å; L92-W137 HydrophobicContact CB-CH2 4.42Å; L92-W137 HydrophobicContact CB-CZ3 3.99Å; L92-W137 HydrophobicContact CD1-CH2 3.94Å; L92-W137 HydrophobicContact CD1-CZ3 3.82Å; L92-W137 HydrophobicContact CD2-CZ3 4.14Å; L92-W137 HydrophobicContact CG-CZ3 4.18Å; L92-V141 HydrophobicContact CD2-CB 4.46Å; L92-V141 HydrophobicContact CD2-CG1 3.8Å
93	V	98.9	Very high	97.6	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	87.6	-173.7	-173.3	0	0	0	0	109.3	T58 V59 L60 Y61 E91 Y95 M191 R194 T195	T58-V93 HydrophobicContact CG2-CG2 3.78Å; V59-V93 PolarHBondContact O-N 3.47Å; L60-V93 HydrophobicContact CD2-CB 3.65Å; L60-V93 HydrophobicContact CD2-CG1 3.97Å; L60-V93 HydrophobicContact CD2-CG2 3.77Å; Y61-V93 PolarHBondContact N-O 3.18Å; Y61-V93 VanDerWaalsContact N-O 3.15Å; Y61-V93 VanDerWaalsContact O-O 3.11Å; E91-V93 HydrophobicContact CG-CG2 4.11Å; V93-Y95 PolarHBondContact O-N 2.93Å; V93-Y95 VanDerWaalsContact O-N 3.11Å; V93-M191 HydrophobicContact CB-SD 4.34Å; V93-M191 HydrophobicContact CG1-CB 3.93Å; V93-M191 HydrophobicContact CG1-CG 4.4Å; V93-M191 WeakPolarHBondContact CG1-O 3.38Å; V93-M191 HydrophobicContact CG1-SD 3.82Å; V93-R194 HydrophobicContact CG1-CB 4.19Å; V93-R194 HydrophobicContact CG1-CG 4.09Å; V93-R194 HydrophobicContact CG2-CG 3.74Å; V93-T195 WeakPolarHBondContact CG1-OG1 3.39Å
94	P	98.9	Very high	97.4	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	95.4	178.6	28.2	-32.1	0	0	0	110.7	Y61 L92 N121 H124 S125 I128 Q188	Y61-P94 HydrophobicContact CE1-CB 3.73Å; Y61-P94 HydrophobicContact CE1-CG 4.26Å; Y61-P94 HydrophobicContact CE2-CB 4.22Å; Y61-P94 WeakPolarHBondContact O-CA 3.48Å; L92-P94 WeakPolarHBondContact O-CD 3.46Å; P94-N121 HydrophobicContact CB-CB 4.25Å; P94-H124 HydrophobicContact CB-CB 3.83Å; P94-H124 HydrophobicContact CG-CB 3.78Å; P94-S125 WeakPolarHBondContact CG-OG 3.44Å; P94-I128 HydrophobicContact CG-CD1 4.36Å; P94-Q188 PolarHBondContact O-NE2 2.03Å
95	Y	98.9	Very high	97.2	Very high	1 Å²	1	52.7 Å²	52.7	0%	0.004	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-156.9	-43.1	178.1	-178.2	-100.9	0	0	0	110.7	Y61 V93 N97 A98 R99 K100 I109 A192 T195	Y61-Y95 PolarHBondContact O-N 3.46Å; V93-Y95 PolarHBondContact O-N 2.93Å; V93-Y95 VanDerWaalsContact O-N 3.11Å; Y95-N97 PolarHBondContact O-N 2.03Å; Y95-A98 HydrophobicContact CD1-CB 4.18Å; Y95-A98 HydrophobicContact CD2-CB 3.94Å; Y95-A98 HydrophobicContact CE1-CB 3.93Å; Y95-A98 WeakPolarHBondContact CE1-O 3.32Å; Y95-A98 HydrophobicContact CE2-CB 3.65Å; Y95-A98 HydrophobicContact CG-CB 4.2Å; Y95-A98 WeakPolarHBondContact O-CB 3.46Å; Y95-A98 PolarHBondContact O-N 2.91Å; Y95-A98 PolarHBondContact OH-O 2.94Å; Y95-R99 VanDerWaalsContact OH-C 3.29Å; Y95-R99 WeakPolarHBondContact OH-CA 3.36Å; Y95-R99 PolarHBondContact OH-N 3.22Å; Y95-K100 PolarHBondContact OH-N 3.41Å; Y95-K100 VanDerWaalsContact OH-N 3.14Å; Y95-I109 HydrophobicContact CE2-CD1 4.18Å; Y95-I109 HydrophobicContact CE2-CG1 4.4Å; Y95-I109 HydrophobicContact CE2-CG2 3.79Å; Y95-A192 HydrophobicContact CD1-CB 4.44Å; Y95-A192 HydrophobicContact CD2-CB 3.93Å; Y95-A192 HydrophobicContact CE1-CB 3.94Å; Y95-A192 HydrophobicContact CE2-CB 3.38Å; Y95-A192 HydrophobicContact CG-CB 4.43Å; Y95-T195 HydrophobicContact CD1-CG2 3.95Å; Y95-T195 HydrophobicContact CE1-CG2 4.45Å
96	G	98	Very high	97.1	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.9	-128.3	178.7	0	0	0	0	0	114.2	Y61 A98	Y61-G96 WeakPolarHBondContact O-CA 3.24Å; Y61-G96 PolarHBondContact O-N 3.33Å; G96-A98 PolarHBondContact O-N 3.37Å
97	N	98.4	Very high	97.1	Very high	30 Å²	30	50.1 Å²	50.1	16%	0.16	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	10	-176.3	-66.3	-37.3	0	0	0	113.1	E62 Y95 R99 Q112 H203	E62-N97 WeakPolarHBondContact OE2-CB 3.39Å; E62-N97 PolarHBondContact OE2-N 2.79Å; Y95-N97 PolarHBondContact O-N 2.03Å; N97-R99 PolarHBondContact O-NH1 3.26Å; N97-Q112 HydrophobicContact CB-CB 4.42Å; N97-Q112 VanDerWaalsContact CB-OE1 3.28Å; N97-Q112 PolarHBondContact ND2-OE1 2.92Å; N97-H203 PolarHBondContact OD1-NE2 3.46Å
98	A	98.6	Very high	97.1	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	28%	0.282	C	S	.	.			trans	-56.6	158.5	174	0	0	0	0	0	111.9	Y95 G96 I109 F110 C111	Y95-A98 HydrophobicContact CD1-CB 4.18Å; Y95-A98 HydrophobicContact CD2-CB 3.94Å; Y95-A98 HydrophobicContact CE1-CB 3.93Å; Y95-A98 WeakPolarHBondContact CE1-O 3.32Å; Y95-A98 HydrophobicContact CE2-CB 3.65Å; Y95-A98 HydrophobicContact CG-CB 4.2Å; Y95-A98 WeakPolarHBondContact O-CB 3.46Å; Y95-A98 PolarHBondContact O-N 2.91Å; Y95-A98 PolarHBondContact OH-O 2.94Å; G96-A98 PolarHBondContact O-N 3.37Å; A98-I109 HydrophobicContact CB-CG2 3.92Å; A98-F110 CarbonylContact C-O 3.49Å; A98-F110 WeakPolarHBondContact CA-O 3.13Å; A98-F110 WeakPolarHBondContact CB-O 3.3Å; A98-C111 HydrophobicContact CB-CB 4.4Å
99	R	97.8	Very high	97.1	Very high	139 Å²	139	56 Å²	56	53%	0.525	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	137.3	178.1	-59.5	-65.2	177.2	-107.3	1.2	109.1	Y95 N97 I109 F110	Y95-R99 VanDerWaalsContact OH-C 3.29Å; Y95-R99 WeakPolarHBondContact OH-CA 3.36Å; Y95-R99 PolarHBondContact OH-N 3.22Å; N97-R99 PolarHBondContact O-NH1 3.26Å; R99-I109 WeakPolarHBondContact O-CA 3.1Å; R99-F110 PolarHBondContact N-O 3.08Å; R99-F110 PolarHBondContact O-N 3.03Å
100	K	97	Very high	97.1	Very high	52 Å²	52	57.9 Å²	57.9	23%	0.226	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	142.1	170.8	68.7	-176	176.9	-153.9	0	111.2	Y95 W107 K108 I109 L189 A192 E196	Y95-K100 PolarHBondContact OH-N 3.41Å; Y95-K100 VanDerWaalsContact OH-N 3.14Å; K100-W107 HydrophobicContact CB-CE3 3.99Å; K100-W107 HydrophobicContact CB-CZ3 4.48Å; K100-W107 HydrophobicContact CD-CD2 4.38Å; K100-W107 HydrophobicContact CD-CE3 3.96Å; K100-W107 HydrophobicContact CD-CZ3 4.23Å; K100-W107 HydrophobicContact CG-CE3 3.76Å; K100-W107 HydrophobicContact CG-CZ3 3.87Å; K100-K108 CarbonylContact C-O 3.33Å; K100-K108 WeakPolarHBondContact CA-O 3.26Å; K100-I109 HydrophobicContact CB-CG1 4.13Å; K100-L189 HydrophobicContact CD-CD2 4.15Å; K100-A192 HydrophobicContact CD-CB 3.92Å; K100-E196 WeakPolarHBondContact CE-OE1 2.97Å; K100-E196 WeakPolarHBondContact CE-OE2 3.14Å; K100-E196 IonicContact NZ-OE1 3.76Å; K100-E196 IonicContact NZ-OE2 3.18Å; K100-E196 PolarHBondContact NZ-OE2 2.76Å
101	K	96.7	Very high	97.1	Very high	117 Å²	117	57.3 Å²	57.3	51%	0.509	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	134.6	174.1	-175.9	-172.5	171.1	-157.7	0	108.8	E103 W107 K108 F110	K101-E103 HydrophobicContact CD-CG 4.23Å; K101-E103 HydrophobicContact CG-CG 4.38Å; K101-E103 IonicContact NZ-OE1 3.44Å; K101-E103 PolarHBondContact NZ-OE1 3.23Å; K101-E103 PolarHBondContact O-N 2.99Å; K101-W107 VanDerWaalsContact C-CE3 3.46Å; K101-K108 PolarHBondContact N-O 3.11Å; K101-K108 PolarHBondContact O-N 3.4Å; K101-F110 HydrophobicContact CB-CE2 3.96Å
102	N	95.8	Very high	97	Very high	74 Å²	74	59.4 Å²	59.4	40%	0.396	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	117.2	172.9	-167.4	-39.2	0	0	0	109	G105 T106 W107	N102-G105 VanDerWaalsContact OD1-CA 3.25Å; N102-G105 WeakPolarHBondContact OD1-CA 3.48Å; N102-G105 PolarHBondContact OD1-N 3.29Å; N102-T106 PolarHBondContact OD1-N 3.01Å; N102-W107 HydrophobicContact CB-CD2 4.02Å; N102-W107 HydrophobicContact CB-CE3 3.83Å; N102-W107 HydrophobicContact CB-CH2 3.94Å; N102-W107 HydrophobicContact CB-CZ2 4.12Å; N102-W107 HydrophobicContact CB-CZ3 3.79Å; N102-W107 VanDerWaalsContact N-CE3 3.33Å
103	E	94	Very high	97	Very high	55 Å²	55	63 Å²	63	26%	0.257	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	109.6	172.4	-62	-164.2	158.5	0	0	108.8	K101 G105 T106 K108	K101-E103 HydrophobicContact CD-CG 4.23Å; K101-E103 HydrophobicContact CG-CG 4.38Å; K101-E103 IonicContact NZ-OE1 3.44Å; K101-E103 PolarHBondContact NZ-OE1 3.23Å; K101-E103 PolarHBondContact O-N 2.99Å; E103-G105 VanDerWaalsContact C-N 3.28Å; E103-G105 PolarHBondContact O-N 3.29Å; E103-T106 PolarHBondContact N-O 3.49Å; E103-T106 PolarHBondContact O-N 3.37Å; E103-K108 HydrophobicContact CB-CD 4.46Å; E103-K108 HydrophobicContact CG-CD 4.36Å; E103-K108 VanDerWaalsContact OE2-CD 3.25Å; E103-K108 WeakPolarHBondContact OE2-CD 3.43Å; E103-K108 VanDerWaalsContact OE2-CE 3.22Å; E103-K108 WeakPolarHBondContact OE2-CE 3.26Å; E103-K108 IonicContact OE2-NZ 2.68Å; E103-K108 PolarHBondContact OE2-NZ 3.16Å
104	S	94.1	Very high	96.9	Very high	135 Å²	135	64.1 Å²	64.1	94%	0.944	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.4	39.7	174.8	-53	0	0	0	0	114.2
105	G	92.9	Very high	96.9	Very high	64 Å²	64	69.6 Å²	69.6	66%	0.66	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.9	-4.8	179.7	0	0	0	0	0	114.6	N102 E103	N102-G105 VanDerWaalsContact OD1-CA 3.25Å; N102-G105 WeakPolarHBondContact OD1-CA 3.48Å; N102-G105 PolarHBondContact OD1-N 3.29Å; E103-G105 VanDerWaalsContact C-N 3.28Å; E103-G105 PolarHBondContact O-N 3.29Å
106	T	93.7	Very high	96.9	Very high	81 Å²	81	73.6 Å²	73.6	50%	0.497	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	127.3	178	-54.6	0	0	0	0	110.5	N102 E103 K108	N102-T106 PolarHBondContact OD1-N 3.01Å; E103-T106 PolarHBondContact N-O 3.49Å; E103-T106 PolarHBondContact O-N 3.37Å; T106-K108 PolarHBondContact O-N 3.19Å
107	W	95.8	Very high	96.9	Very high	119 Å²	119	73.6 Å²	73.6	45%	0.451	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	123.6	173.2	-71.7	105.7	0	0	0	110.7	K100 K101 N102 L189	K100-W107 HydrophobicContact CB-CE3 3.99Å; K100-W107 HydrophobicContact CB-CZ3 4.48Å; K100-W107 HydrophobicContact CD-CD2 4.38Å; K100-W107 HydrophobicContact CD-CE3 3.96Å; K100-W107 HydrophobicContact CD-CZ3 4.23Å; K100-W107 HydrophobicContact CG-CE3 3.76Å; K100-W107 HydrophobicContact CG-CZ3 3.87Å; K101-W107 VanDerWaalsContact C-CE3 3.46Å; N102-W107 HydrophobicContact CB-CD2 4.02Å; N102-W107 HydrophobicContact CB-CE3 3.83Å; N102-W107 HydrophobicContact CB-CH2 3.94Å; N102-W107 HydrophobicContact CB-CZ2 4.12Å; N102-W107 HydrophobicContact CB-CZ3 3.79Å; N102-W107 VanDerWaalsContact N-CE3 3.33Å; W107-L189 HydrophobicContact CB-CD1 4.12Å; W107-L189 HydrophobicContact CB-CD2 3.47Å; W107-L189 VanDerWaalsContact CB-CD2 3.47Å; W107-L189 HydrophobicContact CB-CG 4.44Å; W107-L189 HydrophobicContact CG-CD1 4.46Å; W107-L189 HydrophobicContact CG-CD2 3.97Å
108	K	96.3	Very high	96.9	Very high	98 Å²	98	73.2 Å²	73.2	43%	0.426	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	142	171.2	-64.6	-168	-173.7	167.8	0	110.5	K100 K101 E103 T106 F110	K100-K108 CarbonylContact C-O 3.33Å; K100-K108 WeakPolarHBondContact CA-O 3.26Å; K101-K108 PolarHBondContact N-O 3.11Å; K101-K108 PolarHBondContact O-N 3.4Å; E103-K108 HydrophobicContact CB-CD 4.46Å; E103-K108 HydrophobicContact CG-CD 4.36Å; E103-K108 VanDerWaalsContact OE2-CD 3.25Å; E103-K108 WeakPolarHBondContact OE2-CD 3.43Å; E103-K108 VanDerWaalsContact OE2-CE 3.22Å; E103-K108 WeakPolarHBondContact OE2-CE 3.26Å; E103-K108 IonicContact OE2-NZ 2.68Å; E103-K108 PolarHBondContact OE2-NZ 3.16Å; T106-K108 PolarHBondContact O-N 3.19Å; K108-F110 HydrophobicContact CB-CE2 3.84Å; K108-F110 HydrophobicContact CB-CZ 4.11Å
109	I	98.3	Very high	96.9	Very high	40 Å²	40	75.5 Å²	75.5	21%	0.205	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	133	-179.7	-63	171.3	0	0	0	109.2	Y95 A98 R99 K100 Q188 L189	Y95-I109 HydrophobicContact CE2-CD1 4.18Å; Y95-I109 HydrophobicContact CE2-CG1 4.4Å; Y95-I109 HydrophobicContact CE2-CG2 3.79Å; A98-I109 HydrophobicContact CB-CG2 3.92Å; R99-I109 WeakPolarHBondContact O-CA 3.1Å; K100-I109 HydrophobicContact CB-CG1 4.13Å; I109-Q188 HydrophobicContact CD1-CB 3.5Å; I109-L189 HydrophobicContact CD1-CD2 4.23Å; I109-L189 HydrophobicContact CG1-CD2 4.49Å
110	F	98.4	Very high	97	Very high	107 Å²	107	69.1 Å²	69.1	47%	0.469	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	119	178.5	-58.4	-91.8	0	0	0	108.4	A98 R99 K101 K108	A98-F110 CarbonylContact C-O 3.49Å; A98-F110 WeakPolarHBondContact CA-O 3.13Å; A98-F110 WeakPolarHBondContact CB-O 3.3Å; R99-F110 PolarHBondContact N-O 3.08Å; R99-F110 PolarHBondContact O-N 3.03Å; K101-F110 HydrophobicContact CB-CE2 3.96Å; K108-F110 HydrophobicContact CB-CE2 3.84Å; K108-F110 HydrophobicContact CB-CZ 4.11Å
111	C	98.7	Very high	97.1	Very high	16 Å²	16	66.7 Å²	66.7	11%	0.108	37%	0.373	C	S	.	.			trans	-99.4	153.2	-176.1	-58.2	0	0	0	0	111.7	A98 H113 G114 E117 C118	A98-C111 HydrophobicContact CB-CB 4.4Å; C111-H113 PolarHBondContact O-N 2.83Å; C111-G114 PolarHBondContact O-N 3.29Å; C111-G114 VanDerWaalsContact O-N 3.1Å; C111-E117 HydrophobicContact CB-CB 3.91Å; C111-E117 HydrophobicContact CB-CG 3.92Å; C111-E117 WeakPolarHBondContact CB-OE1 3.37Å; C111-C118 HydrophobicContact CB-CB 4.16Å; C111-C118 WeakPolarHBondContact CB-SG 3.19Å; C111-C118 PolarHBondContact N-SG 3.03Å; C111-C118 WeakPolarHBondContact SG-CA 3.39Å; C111-C118 WeakPolarHBondContact SG-CB 3.44Å; C111-C118 PolarHBondContact SG-N 3.2Å; C111-C118 VanDerWaalsContact SG-N 3.38Å; C111-C118 CovalentContact SG-SG 2.03Å; C111-C118 PolarHBondContact SG-SG 2.95Å
112	Q	98	Very high	97.2	Very high	113 Å²	113	62.8 Å²	62.8	53%	0.528	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-42.4	-172.8	177.8	176.4	-40	0	0	112.3	N97 G114 E117	N97-Q112 HydrophobicContact CB-CB 4.42Å; N97-Q112 VanDerWaalsContact CB-OE1 3.28Å; N97-Q112 PolarHBondContact ND2-OE1 2.92Å; Q112-G114 VanDerWaalsContact C-N 3.33Å; Q112-E117 PolarHBondContact N-OE2 3.49Å
113	H	97.1	Very high	97.3	Very high	81 Å²	81	59.7 Å²	59.7	38%	0.375	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	21.6	177.7	-49.7	99.4	0	0	0	112.5	E62 C111 E117	E62-H113 IonicContact OE1-CE1 3.36Å; E62-H113 PolarHBondContact OE1-CE1 2.94Å; E62-H113 IonicContact OE1-ND1 2.75Å; E62-H113 PolarHBondContact OE1-ND1 3.37Å; C111-H113 PolarHBondContact O-N 2.83Å; H113-E117 WeakPolarHBondContact CA-OE2 3.43Å; H113-E117 HydrophobicContact CB-CB 4.17Å; H113-E117 WeakPolarHBondContact CB-OE2 3.45Å; H113-E117 IonicContact CE1-OE2 2.71Å; H113-E117 IonicContact CG-OE2 3.78Å; H113-E117 VanDerWaalsContact CG-OE2 3.31Å; H113-E117 PolarHBondContact N-OE2 2.88Å; H113-E117 IonicContact ND1-OE2 2.73Å; H113-E117 PolarHBondContact ND1-OE2 3.49Å
114	G	98.3	Very high	97.5	Very high	24 Å²	24	57.1 Å²	57.1	25%	0.247	33%	0.328	C	S	.	.			trans	82.8	-167.3	170.5	0	0	0	0	0	115.4	C111 Q112 L116 E117 C118	C111-G114 PolarHBondContact O-N 3.29Å; C111-G114 VanDerWaalsContact O-N 3.1Å; Q112-G114 VanDerWaalsContact C-N 3.33Å; G114-L116 VanDerWaalsContact C-N 3.26Å; G114-L116 PolarHBondContact O-N 3.18Å; G114-L116 VanDerWaalsContact O-N 3.16Å; G114-E117 PolarHBondContact O-N 3.38Å; G114-C118 PolarHBondContact O-N 3.29Å
115	P	98.1	Very high	97.8	Very high	116 Å²	116	50.7 Å²	50.7	75%	0.753	28%	0.283	S	S	*	.	H	α-helix	trans	-62	-28	-168.6	-26.5	35.3	0	0	0	115.1	C118 A119	P115-C118 PolarHBondContact O-N 3.12Å; P115-A119 PolarHBondContact O-N 3.28Å
116	L	98.3	Very high	98.1	Very high	84 Å²	84	47.6 Å²	47.6	44%	0.44	25%	0.251	S	S	.	.	H	α-helix	trans	-68.8	-40	179.2	-178.4	60.5	0	0	0	111.8	L64 G114 C118 A119 L120 P154	L64-L116 HydrophobicContact CD1-CB 4.24Å; L64-L116 HydrophobicContact CD1-CD2 4.01Å; L64-L116 HydrophobicContact CD1-CG 3.97Å; G114-L116 VanDerWaalsContact C-N 3.26Å; G114-L116 PolarHBondContact O-N 3.18Å; G114-L116 VanDerWaalsContact O-N 3.16Å; L116-C118 VanDerWaalsContact C-N 3.34Å; L116-A119 PolarHBondContact O-N 2.75Å; L116-L120 HydrophobicContact CD1-CD1 4.26Å; L116-L120 HydrophobicContact CD1-CG 4.3Å; L116-L120 HydrophobicContact CG-CD1 4.08Å; L116-L120 WeakPolarHBondContact O-CB 3.32Å; L116-L120 WeakPolarHBondContact O-CG 3.27Å; L116-L120 PolarHBondContact O-N 3.33Å; L116-P154 HydrophobicContact CD1-CB 4.36Å; L116-P154 HydrophobicContact CD1-CG 3.73Å; L116-P154 HydrophobicContact CD2-CG 3.97Å; L116-P154 HydrophobicContact CG-CG 4.35Å
117	E	98.8	Very high	98.3	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-59	-47.4	171.8	179.2	-169.1	134.9	0	0	110.2	E62 T63 L64 C111 Q112 H113 G114 A119 L120 N121	E62-E117 HydrophobicContact CB-CG 4.37Å; E62-E117 WeakPolarHBondContact CB-OE1 3.49Å; T63-E117 WeakPolarHBondContact O-CG 3.43Å; T63-E117 PolarHBondContact OG1-O 2.87Å; L64-E117 HydrophobicContact CD1-CB 4.28Å; C111-E117 HydrophobicContact CB-CB 3.91Å; C111-E117 HydrophobicContact CB-CG 3.92Å; C111-E117 WeakPolarHBondContact CB-OE1 3.37Å; Q112-E117 PolarHBondContact N-OE2 3.49Å; H113-E117 WeakPolarHBondContact CA-OE2 3.43Å; H113-E117 HydrophobicContact CB-CB 4.17Å; H113-E117 WeakPolarHBondContact CB-OE2 3.45Å; H113-E117 IonicContact CE1-OE2 2.71Å; H113-E117 IonicContact CG-OE2 3.78Å; H113-E117 VanDerWaalsContact CG-OE2 3.31Å; H113-E117 PolarHBondContact N-OE2 2.88Å; H113-E117 IonicContact ND1-OE2 2.73Å; H113-E117 PolarHBondContact ND1-OE2 3.49Å; G114-E117 PolarHBondContact O-N 3.38Å; E117-A119 VanDerWaalsContact C-N 3.29Å; E117-A119 PolarHBondContact O-N 2.81Å; E117-L120 PolarHBondContact O-N 3.48Å; E117-L120 VanDerWaalsContact O-N 3.11Å; E117-N121 WeakPolarHBondContact O-CB 3.48Å; E117-N121 VanDerWaalsContact O-CG 3.28Å; E117-N121 PolarHBondContact O-N 2.83Å; E117-N121 PolarHBondContact O-OD1 3Å; E117-N121 PolarHBondContact OE1-ND2 3.04Å
118	C	98.8	Very high	98.4	Very high	23 Å²	23	39.4 Å²	39.4	16%	0.155	21%	0.213	C	C	.	.	H	α-helix	trans	-58	-41.8	177.8	-70.7	0	0	0	0	112.4	C111 G114 P115 L116 L120 K122	C111-C118 HydrophobicContact CB-CB 4.16Å; C111-C118 WeakPolarHBondContact CB-SG 3.19Å; C111-C118 PolarHBondContact N-SG 3.03Å; C111-C118 WeakPolarHBondContact SG-CA 3.39Å; C111-C118 WeakPolarHBondContact SG-CB 3.44Å; C111-C118 PolarHBondContact SG-N 3.2Å; C111-C118 VanDerWaalsContact SG-N 3.38Å; C111-C118 CovalentContact SG-SG 2.03Å; C111-C118 PolarHBondContact SG-SG 2.95Å; G114-C118 PolarHBondContact O-N 3.29Å; P115-C118 PolarHBondContact O-N 3.12Å; L116-C118 VanDerWaalsContact C-N 3.34Å; C118-L120 VanDerWaalsContact C-N 3.35Å; C118-K122 VanDerWaalsContact O-CB 3.27Å; C118-K122 WeakPolarHBondContact O-CB 3.17Å; C118-K122 PolarHBondContact O-N 3.37Å
119	A	98.5	Very high	98.6	Very high	47 Å²	47	39.5 Å²	39.5	39%	0.388	22%	0.215	S	C	.	.	H	α-helix	trans	-65.2	-38.1	177.6	0	0	0	0	0	112.3	P115 L116 E117 L123	P115-A119 PolarHBondContact O-N 3.28Å; L116-A119 PolarHBondContact O-N 2.75Å; E117-A119 VanDerWaalsContact C-N 3.29Å; E117-A119 PolarHBondContact O-N 2.81Å; A119-L123 PolarHBondContact O-N 3.5Å
120	L	98.8	Very high	98.6	Very high	6 Å²	6	39.8 Å²	39.8	3%	0.031	22%	0.215	C	C	.	.	H	α-helix	trans	-77.6	-39.1	179.4	-73	174.4	0	0	0	112.6	T63 L64 L116 E117 C118 K122 L123 H124 M144 L148 P154	T63-L120 HydrophobicContact CG2-CB 3.85Å; T63-L120 VanDerWaalsContact OG1-CB 3.24Å; T63-L120 WeakPolarHBondContact OG1-CB 3.31Å; L64-L120 HydrophobicContact CD1-CD1 4.25Å; L64-L120 HydrophobicContact CD2-CD1 3.77Å; L64-L120 HydrophobicContact CG-CD1 3.95Å; L116-L120 HydrophobicContact CD1-CD1 4.26Å; L116-L120 HydrophobicContact CD1-CG 4.3Å; L116-L120 HydrophobicContact CG-CD1 4.08Å; L116-L120 WeakPolarHBondContact O-CB 3.32Å; L116-L120 WeakPolarHBondContact O-CG 3.27Å; L116-L120 PolarHBondContact O-N 3.33Å; E117-L120 PolarHBondContact O-N 3.48Å; E117-L120 VanDerWaalsContact O-N 3.11Å; C118-L120 VanDerWaalsContact C-N 3.35Å; L120-K122 VanDerWaalsContact C-N 3.27Å; L120-K122 PolarHBondContact O-N 2.69Å; L120-L123 HydrophobicContact CD2-CD2 4.14Å; L120-L123 WeakPolarHBondContact O-CB 3.21Å; L120-L123 PolarHBondContact O-N 2.83Å; L120-L123 VanDerWaalsContact O-N 3.16Å; L120-H124 PolarHBondContact O-CD2 2.86Å; L120-H124 VanDerWaalsContact O-CD2 3.29Å; L120-H124 PolarHBondContact O-N 3.38Å; L120-M144 HydrophobicContact CD2-CE 4.1Å; L120-L148 HydrophobicContact CD1-CD1 3.96Å; L120-L148 HydrophobicContact CD1-CD2 4.1Å; L120-P154 HydrophobicContact CD1-CG 4.46Å; L120-P154 HydrophobicContact CD2-CB 4.13Å
121	N	98.9	Very high	98.6	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-56.2	-46.3	170.1	-73.1	-3.7	0	0	0	109.8	T63 P94 E117 H124 S125 Q188	T63-N121 WeakPolarHBondContact CB-OD1 3.13Å; T63-N121 VanDerWaalsContact CG2-OD1 3.29Å; T63-N121 WeakPolarHBondContact CG2-OD1 3.46Å; T63-N121 PolarHBondContact N-OD1 2.93Å; T63-N121 PolarHBondContact OG1-OD1 3.37Å; P94-N121 HydrophobicContact CB-CB 4.25Å; E117-N121 WeakPolarHBondContact O-CB 3.48Å; E117-N121 VanDerWaalsContact O-CG 3.28Å; E117-N121 PolarHBondContact O-N 2.83Å; E117-N121 PolarHBondContact O-OD1 3Å; E117-N121 PolarHBondContact OE1-ND2 3.04Å; N121-H124 WeakPolarHBondContact O-CB 3.35Å; N121-H124 PolarHBondContact O-N 2.84Å; N121-S125 PolarHBondContact O-N 3.38Å; N121-S125 PolarHBondContact O-OG 3.1Å; N121-Q188 VanDerWaalsContact C-NE2 3.35Å; N121-Q188 PolarHBondContact O-NE2 3.37Å
122	K	98.8	Very high	98.5	Very high	35 Å²	35	37.4 Å²	37.4	15%	0.152	22%	0.22	C	C	.	.	H	α-helix	trans	-61.5	-44	175	-170.5	-177.2	-74.8	-171.6	0	112.2	C118 L120 H124 S125 C126 T179 E185 Q188	C118-K122 VanDerWaalsContact O-CB 3.27Å; C118-K122 WeakPolarHBondContact O-CB 3.17Å; C118-K122 PolarHBondContact O-N 3.37Å; L120-K122 VanDerWaalsContact C-N 3.27Å; L120-K122 PolarHBondContact O-N 2.69Å; K122-H124 VanDerWaalsContact C-N 3.29Å; K122-H124 PolarHBondContact O-N 2.82Å; K122-S125 PolarHBondContact O-N 3.01Å; K122-C126 WeakPolarHBondContact O-CB 3.22Å; K122-C126 PolarHBondContact O-N 2.86Å; K122-C126 PolarHBondContact O-SG 2.62Å; K122-C126 VanDerWaalsContact O-SG 3.32Å; K122-T179 WeakPolarHBondContact CD-O 3.29Å; K122-E185 VanDerWaalsContact NZ-CG 3.26Å; K122-E185 IonicContact NZ-OE1 2.81Å; K122-Q188 HydrophobicContact CB-CG 3.88Å; K122-Q188 HydrophobicContact CG-CG 4.05Å
123	L	98.9	Very high	98.5	Very high	10 Å²	10	35.6 Å²	35.6	5%	0.052	21%	0.214	C	C	.	.	H	α-helix	trans	-57.4	-43	174.1	175.1	62.8	0	0	0	111.8	A119 L120 C126 A127 M144 I175 M176 T179	A119-L123 PolarHBondContact O-N 3.5Å; L120-L123 HydrophobicContact CD2-CD2 4.14Å; L120-L123 WeakPolarHBondContact O-CB 3.21Å; L120-L123 PolarHBondContact O-N 2.83Å; L120-L123 VanDerWaalsContact O-N 3.16Å; L123-C126 PolarHBondContact O-N 2.76Å; L123-A127 WeakPolarHBondContact O-CB 3.39Å; L123-A127 PolarHBondContact O-N 2.88Å; L123-M144 HydrophobicContact CD2-CE 3.72Å; L123-I175 HydrophobicContact CD1-CG2 3.64Å; L123-M176 HydrophobicContact CD1-SD 4.3Å; L123-T179 WeakPolarHBondContact CA-OG1 3.28Å; L123-T179 HydrophobicContact CB-CG2 3.97Å; L123-T179 HydrophobicContact CD1-CG2 4.44Å; L123-T179 WeakPolarHBondContact CD1-OG1 3.36Å
124	H	98.9	Very high	98.5	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-64.7	-46.4	176.9	-76	-150.3	0	0	0	111.3	Y61 P94 L120 N121 K122 C126 A127 I128 M144 E145	Y61-H124 AromaticContact CE2-ND1 3.69Å; Y61-H124 AromaticContact CZ-ND1 3.68Å; Y61-H124 PolarHBondContact OH-ND1 3.48Å; P94-H124 HydrophobicContact CB-CB 3.83Å; P94-H124 HydrophobicContact CG-CB 3.78Å; L120-H124 PolarHBondContact O-CD2 2.86Å; L120-H124 VanDerWaalsContact O-CD2 3.29Å; L120-H124 PolarHBondContact O-N 3.38Å; N121-H124 WeakPolarHBondContact O-CB 3.35Å; N121-H124 PolarHBondContact O-N 2.84Å; K122-H124 VanDerWaalsContact C-N 3.29Å; K122-H124 PolarHBondContact O-N 2.82Å; H124-C126 VanDerWaalsContact C-N 3.33Å; H124-C126 PolarHBondContact O-N 3.12Å; H124-A127 PolarHBondContact O-N 3.11Å; H124-I128 VanDerWaalsContact O-CG1 3.27Å; H124-I128 WeakPolarHBondContact O-CG1 3.1Å; H124-I128 PolarHBondContact O-N 2.91Å; H124-M144 VanDerWaalsContact NE2-CB 3.32Å; H124-M144 WeakPolarHBondContact NE2-CB 3.4Å; H124-E145 IonicContact CE1-OE1 3.84Å; H124-E145 PolarHBondContact CE1-OE1 2.92Å; H124-E145 IonicContact ND1-OE1 2.81Å; H124-E145 IonicContact NE2-OE1 3.98Å
125	S	98.9	Very high	98.5	Very high	0 Å²	0	36 Å²	36	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-56.8	-45.3	174.2	-64.4	0	0	0	0	112.5	P94 N121 K122 I128 H129 Q188 M191	P94-S125 WeakPolarHBondContact CG-OG 3.44Å; N121-S125 PolarHBondContact O-N 3.38Å; N121-S125 PolarHBondContact O-OG 3.1Å; K122-S125 PolarHBondContact O-N 3.01Å; S125-I128 PolarHBondContact O-N 3.41Å; S125-H129 WeakPolarHBondContact O-CB 3.29Å; S125-H129 PolarHBondContact O-N 3.15Å; S125-Q188 PolarHBondContact OG-NE2 3.01Å; S125-M191 WeakPolarHBondContact OG-CG 3.31Å
126	C	98.9	Very high	98.5	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-65.4	-39.1	179	-72.1	0	0	0	0	112.2	K122 L123 H124 H129 H130 I175 C178 T179	K122-C126 WeakPolarHBondContact O-CB 3.22Å; K122-C126 PolarHBondContact O-N 2.86Å; K122-C126 PolarHBondContact O-SG 2.62Å; K122-C126 VanDerWaalsContact O-SG 3.32Å; L123-C126 PolarHBondContact O-N 2.76Å; H124-C126 VanDerWaalsContact C-N 3.33Å; H124-C126 PolarHBondContact O-N 3.12Å; C126-H129 PolarHBondContact O-N 2.89Å; C126-H130 WeakPolarHBondContact O-CB 3.41Å; C126-H130 PolarHBondContact O-CD2 3.48Å; C126-H130 PolarHBondContact O-N 3.46Å; C126-I175 HydrophobicContact CB-CG2 4.29Å; C126-C178 VanDerWaalsContact CA-SG 3.58Å; C126-C178 HydrophobicContact CB-CB 3.64Å; C126-C178 WeakPolarHBondContact CB-SG 3.46Å; C126-C178 WeakPolarHBondContact SG-CB 3.34Å; C126-C178 CovalentContact SG-SG 2.04Å; C126-C178 PolarHBondContact SG-SG 2.89Å; C126-T179 PolarHBondContact SG-N 2.94Å
127	A	98.8	Very high	98.5	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-65.6	-44.8	174.9	0	0	0	0	0	111.8	L123 H124 H129 L131 F140 I175	L123-A127 WeakPolarHBondContact O-CB 3.39Å; L123-A127 PolarHBondContact O-N 2.88Å; H124-A127 PolarHBondContact O-N 3.11Å; A127-H129 VanDerWaalsContact C-N 3.34Å; A127-H129 PolarHBondContact O-N 2.81Å; A127-L131 HydrophobicContact CB-CD1 4.4Å; A127-L131 WeakPolarHBondContact O-CB 3.17Å; A127-L131 WeakPolarHBondContact O-CG 3.42Å; A127-L131 PolarHBondContact O-N 2.74Å; A127-F140 HydrophobicContact CB-CD1 3.48Å; A127-F140 VanDerWaalsContact CB-CD1 3.48Å; A127-F140 HydrophobicContact CB-CE1 3.41Å; A127-F140 VanDerWaalsContact CB-CE1 3.41Å; A127-F140 HydrophobicContact CB-CG 4.49Å; A127-F140 HydrophobicContact CB-CZ 4.39Å; A127-I175 HydrophobicContact CB-CD1 4.4Å; A127-I175 HydrophobicContact CB-CG2 4.42Å
128	I	98.9	Very high	98.5	Very high	27 Å²	27	30.2 Å²	30.2	14%	0.138	17%	0.17	C	C	.	.	H	α-helix	trans	-57.8	-48.8	174.9	-67.8	165.2	0	0	0	110.1	L92 P94 H124 S125 G132 W137 V141	L92-I128 HydrophobicContact CB-CD1 4.14Å; P94-I128 HydrophobicContact CG-CD1 4.36Å; H124-I128 VanDerWaalsContact O-CG1 3.27Å; H124-I128 WeakPolarHBondContact O-CG1 3.1Å; H124-I128 PolarHBondContact O-N 2.91Å; S125-I128 PolarHBondContact O-N 3.41Å; I128-G132 PolarHBondContact O-N 2.81Å; I128-W137 HydrophobicContact CB-CG 4.43Å; I128-W137 HydrophobicContact CD1-CE3 4.43Å; I128-W137 HydrophobicContact CG1-CB 4.24Å; I128-W137 HydrophobicContact CG1-CD2 4.02Å; I128-W137 HydrophobicContact CG1-CE3 3.82Å; I128-W137 HydrophobicContact CG1-CG 4.22Å; I128-W137 HydrophobicContact CG2-CD2 4.33Å; I128-W137 HydrophobicContact CG2-CG 4.44Å; I128-V141 HydrophobicContact CD1-CG2 4.49Å; I128-V141 HydrophobicContact CG1-CG2 4.4Å
129	H	98.7	Very high	98.5	Very high	100 Å²	100	31 Å²	31	46%	0.463	17%	0.174	S	C	.	.	H	α-helix	trans	-63.7	-51.3	-178.8	-174.9	71.9	0	0	0	113.2	S125 C126 A127 E183 L187	S125-H129 WeakPolarHBondContact O-CB 3.29Å; S125-H129 PolarHBondContact O-N 3.15Å; C126-H129 PolarHBondContact O-N 2.89Å; A127-H129 VanDerWaalsContact C-N 3.34Å; A127-H129 PolarHBondContact O-N 2.81Å; H129-E183 IonicContact CD2-OE1 2.76Å; H129-E183 PolarHBondContact CD2-OE1 3.47Å; H129-E183 IonicContact NE2-OE1 2.88Å; H129-L187 HydrophobicContact CB-CD1 3.69Å; H129-L187 HydrophobicContact CB-CD2 4.2Å
130	H	98.6	Very high	98.5	Very high	47 Å²	47	28.7 Å²	28.7	22%	0.218	16%	0.156	C	C	.	.	H	α-helix	trans	-80.8	-25.3	-172	-80.6	-73.7	0	0	0	114.4	C126 I175 E183	C126-H130 WeakPolarHBondContact O-CB 3.41Å; C126-H130 PolarHBondContact O-CD2 3.48Å; C126-H130 PolarHBondContact O-N 3.46Å; H130-I175 HydrophobicContact CB-CG1 3.8Å; H130-E183 IonicContact CD2-OE1 3.97Å; H130-E183 IonicContact CE1-OE1 3.87Å; H130-E183 PolarHBondContact CE1-OE1 2.91Å; H130-E183 IonicContact CE1-OE2 3.36Å; H130-E183 VanDerWaalsContact NE2-CD 3.27Å; H130-E183 IonicContact NE2-OE1 3.12Å; H130-E183 PolarHBondContact NE2-OE1 3.26Å; H130-E183 IonicContact NE2-OE2 3.57Å; H130-E183 PolarHBondContact NE2-OE2 3.25Å
131	L	98.3	Very high	98.5	Very high	13 Å²	13	28.4 Å²	28.4	7%	0.068	15%	0.154	C	C	.	.	H	α-helix	trans	-80.4	-35.8	174.2	-63.6	172.9	0	0	0	111.2	A127 D133 R136 W137 F140 I167 I175	A127-L131 HydrophobicContact CB-CD1 4.4Å; A127-L131 WeakPolarHBondContact O-CB 3.17Å; A127-L131 WeakPolarHBondContact O-CG 3.42Å; A127-L131 PolarHBondContact O-N 2.74Å; L131-D133 PolarHBondContact O-N 3.44Å; L131-R136 HydrophobicContact CB-CB 4.31Å; L131-R136 HydrophobicContact CD1-CB 4.43Å; L131-W137 HydrophobicContact CB-CB 4.1Å; L131-W137 HydrophobicContact CD1-CB 3.94Å; L131-F140 HydrophobicContact CD1-CB 4.31Å; L131-I167 HydrophobicContact CD1-CD1 3.82Å; L131-I167 HydrophobicContact CD1-CG1 4.46Å; L131-I167 HydrophobicContact CD2-CD1 4.05Å; L131-I167 HydrophobicContact CD2-CG1 4.02Å; L131-I167 HydrophobicContact CD2-CG2 4.32Å; L131-I167 HydrophobicContact CG-CD1 4.48Å; L131-I175 HydrophobicContact CD2-CD1 4.2Å; L131-I175 HydrophobicContact CG-CD1 4.18Å
132	G	97	Very high	98.5	Very high	59 Å²	59	28.8 Å²	28.8	61%	0.608	16%	0.156	S	C	*	.			trans	68.6	-38.2	175.5	0	0	0	0	0	115.3	I128	I128-G132 PolarHBondContact O-N 2.81Å
133	D	97.2	Very high	98.5	Very high	76 Å²	76	27.4 Å²	27.4	41%	0.406	15%	0.151	S	C	.	.			trans	-86.3	123.2	-179.1	-177.9	3.4	0	0	0	111.5	L131 E135 R136 W137	L131-D133 PolarHBondContact O-N 3.44Å; D133-E135 PolarHBondContact O-N 2.84Å; D133-E135 WeakPolarHBondContact OD1-CB 3.38Å; D133-E135 PolarHBondContact OD1-N 2.94Å; D133-R136 HydrophobicContact CB-CB 4.38Å; D133-R136 HydrophobicContact CB-CG 4.08Å; D133-R136 WeakPolarHBondContact O-CA 3.23Å; D133-R136 WeakPolarHBondContact O-CB 3.19Å; D133-R136 PolarHBondContact O-N 2.86Å; D133-W137 PolarHBondContact O-N 2.88Å
134	V	97.9	Very high	98.5	Very high	41 Å²	41	27 Å²	27	25%	0.248	15%	0.149	C	C	.	.	H	α-helix	trans	-58.8	-31.6	177.6	64.8	0	0	0	0	112.7	W81 F90 R136 W137 L138 P139	W81-V134 HydrophobicContact CH2-CG2 4.18Å; W81-V134 HydrophobicContact CZ3-CG2 3.8Å; F90-V134 HydrophobicContact CB-CG2 4.05Å; F90-V134 HydrophobicContact CD2-CG2 3.99Å; F90-V134 HydrophobicContact CG-CG2 4.31Å; V134-R136 PolarHBondContact O-N 3.24Å; V134-R136 VanDerWaalsContact O-N 3.08Å; V134-W137 HydrophobicContact CB-CZ2 3.8Å; V134-W137 HydrophobicContact CG2-CH2 3.9Å; V134-W137 HydrophobicContact CG2-CZ2 3.47Å; V134-W137 VanDerWaalsContact CG2-CZ2 3.47Å; V134-L138 HydrophobicContact CG2-CB 4.13Å; V134-L138 HydrophobicContact CG2-CD1 4.21Å; V134-L138 VanDerWaalsContact O-CB 3.3Å; V134-L138 WeakPolarHBondContact O-CB 3.42Å; V134-L138 PolarHBondContact O-N 2.89Å; V134-P139 WeakPolarHBondContact O-CD 3.44Å
135	E	97.5	Very high	98.5	Very high	72 Å²	72	27 Å²	27	34%	0.336	15%	0.149	S	C	.	.	H	α-helix	trans	-65.4	-12.2	175	-63.5	-62.4	159.3	0	0	112.9	W81 R85 D133 P139	W81-E135 HydrophobicContact CH2-CG 4.37Å; W81-E135 VanDerWaalsContact CH2-OE1 3.26Å; W81-E135 WeakPolarHBondContact CH2-OE1 3.27Å; W81-E135 WeakPolarHBondContact CH2-OE2 3.42Å; W81-E135 WeakPolarHBondContact CZ2-OE2 3Å; R85-E135 IonicContact CZ-OE1 3.07Å; R85-E135 IonicContact CZ-OE2 3.69Å; R85-E135 IonicContact NE-OE1 2.73Å; R85-E135 PolarHBondContact NE-OE1 3.07Å; R85-E135 IonicContact NE-OE2 3.31Å; R85-E135 PolarHBondContact NE-OE2 3.04Å; R85-E135 IonicContact NH2-OE1 3.27Å; R85-E135 PolarHBondContact NH2-OE1 3.27Å; R85-E135 IonicContact NH2-OE2 2.99Å; R85-E135 PolarHBondContact NH2-OE2 2.98Å; D133-E135 PolarHBondContact O-N 2.84Å; D133-E135 WeakPolarHBondContact OD1-CB 3.38Å; D133-E135 PolarHBondContact OD1-N 2.94Å; E135-P139 WeakPolarHBondContact O-CG 3.31Å
136	R	98.1	Very high	98.5	Very high	61 Å²	61	31.8 Å²	31.8	23%	0.23	17%	0.17	C	C	.	.	H	α-helix	trans	-114.1	-52	-179.7	-56.7	-178	68.5	-148.7	1.6	111.5	L131 D133 V134 F140 V165 E171	L131-R136 HydrophobicContact CB-CB 4.31Å; L131-R136 HydrophobicContact CD1-CB 4.43Å; D133-R136 HydrophobicContact CB-CB 4.38Å; D133-R136 HydrophobicContact CB-CG 4.08Å; D133-R136 WeakPolarHBondContact O-CA 3.23Å; D133-R136 WeakPolarHBondContact O-CB 3.19Å; D133-R136 PolarHBondContact O-N 2.86Å; V134-R136 PolarHBondContact O-N 3.24Å; V134-R136 VanDerWaalsContact O-N 3.08Å; R136-F140 PolarHBondContact O-N 2.86Å; R136-V165 HydrophobicContact CB-CG1 4.4Å; R136-V165 VanDerWaalsContact O-CG1 3.31Å; R136-V165 WeakPolarHBondContact O-CG1 3.38Å; R136-E171 IonicContact CZ-OE1 3.8Å; R136-E171 VanDerWaalsContact CZ-OE1 3.27Å; R136-E171 IonicContact CZ-OE2 3.19Å; R136-E171 IonicContact NH1-OE1 2.81Å; R136-E171 PolarHBondContact NH1-OE1 3.18Å; R136-E171 IonicContact NH1-OE2 2.69Å; R136-E171 VanDerWaalsContact NH2-CD 3.26Å; R136-E171 IonicContact NH2-OE1 3.97Å; R136-E171 PolarHBondContact NH2-OE1 3.38Å; R136-E171 IonicContact NH2-OE2 3.04Å; R136-E171 PolarHBondContact NH2-OE2 2.98Å
137	W	98.5	Very high	98.5	Very high	16 Å²	16	32 Å²	32	6%	0.061	17%	0.172	C	C	.	.	H	α-helix	trans	-71.1	-33.8	-175.7	63.9	-109.6	0	0	0	113.1	F90 L92 I128 L131 D133 V134 F140 V141	F90-W137 HydrophobicContact CB-CH2 3.84Å; F90-W137 HydrophobicContact CB-CZ2 4.34Å; L92-W137 HydrophobicContact CB-CH2 4.42Å; L92-W137 HydrophobicContact CB-CZ3 3.99Å; L92-W137 HydrophobicContact CD1-CH2 3.94Å; L92-W137 HydrophobicContact CD1-CZ3 3.82Å; L92-W137 HydrophobicContact CD2-CZ3 4.14Å; L92-W137 HydrophobicContact CG-CZ3 4.18Å; I128-W137 HydrophobicContact CB-CG 4.43Å; I128-W137 HydrophobicContact CD1-CE3 4.43Å; I128-W137 HydrophobicContact CG1-CB 4.24Å; I128-W137 HydrophobicContact CG1-CD2 4.02Å; I128-W137 HydrophobicContact CG1-CE3 3.82Å; I128-W137 HydrophobicContact CG1-CG 4.22Å; I128-W137 HydrophobicContact CG2-CD2 4.33Å; I128-W137 HydrophobicContact CG2-CG 4.44Å; L131-W137 HydrophobicContact CB-CB 4.1Å; L131-W137 HydrophobicContact CD1-CB 3.94Å; D133-W137 PolarHBondContact O-N 2.88Å; V134-W137 HydrophobicContact CB-CZ2 3.8Å; V134-W137 HydrophobicContact CG2-CH2 3.9Å; V134-W137 HydrophobicContact CG2-CZ2 3.47Å; V134-W137 VanDerWaalsContact CG2-CZ2 3.47Å; W137-F140 WeakPolarHBondContact O-CB 3.37Å; W137-F140 PolarHBondContact O-N 3.04Å; W137-V141 WeakPolarHBondContact O-CG2 3.28Å; W137-V141 PolarHBondContact O-N 3.35Å
138	L	98.7	Very high	98.4	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.005	18%	0.176	C	C	.	.	H	α-helix	trans	-68.4	-48.4	-179.5	-171.9	157.4	0	0	0	110.9	W81 F90 V134 F140 V141 V142	W81-L138 HydrophobicContact CB-CD2 4.23Å; W81-L138 HydrophobicContact CD2-CD1 4.23Å; W81-L138 HydrophobicContact CD2-CD2 3.68Å; W81-L138 HydrophobicContact CE3-CD1 3.7Å; W81-L138 HydrophobicContact CE3-CD2 4.03Å; W81-L138 HydrophobicContact CE3-CG 4.39Å; W81-L138 HydrophobicContact CG-CD2 3.76Å; W81-L138 HydrophobicContact CZ3-CD1 4.08Å; F90-L138 HydrophobicContact CB-CD1 4.15Å; F90-L138 HydrophobicContact CD1-CD1 3.79Å; F90-L138 HydrophobicContact CD2-CD1 4.41Å; F90-L138 HydrophobicContact CE1-CD1 4.28Å; F90-L138 HydrophobicContact CG-CD1 3.86Å; V134-L138 HydrophobicContact CG2-CB 4.13Å; V134-L138 HydrophobicContact CG2-CD1 4.21Å; V134-L138 VanDerWaalsContact O-CB 3.3Å; V134-L138 WeakPolarHBondContact O-CB 3.42Å; V134-L138 PolarHBondContact O-N 2.89Å; L138-F140 PolarHBondContact O-N 2.73Å; L138-V141 PolarHBondContact O-N 3.15Å; L138-V142 HydrophobicContact CD2-CG2 3.79Å; L138-V142 WeakPolarHBondContact O-CB 3.38Å; L138-V142 WeakPolarHBondContact O-CG2 3Å; L138-V142 PolarHBondContact O-N 2.95Å
139	P	98.6	Very high	98.4	Very high	39 Å²	39	34.8 Å²	34.8	25%	0.253	18%	0.183	S	C	.	.	H	α-helix	trans	-57.9	-32.1	171.6	-29.6	38.7	0	0	0	114.2	W81 V134 E135 C143 V165	W81-P139 HydrophobicContact CZ2-CG 4.35Å; V134-P139 WeakPolarHBondContact O-CD 3.44Å; E135-P139 WeakPolarHBondContact O-CG 3.31Å; P139-C143 VanDerWaalsContact O-CB 3.23Å; P139-C143 WeakPolarHBondContact O-CB 3.35Å; P139-C143 PolarHBondContact O-N 2.98Å; P139-V165 HydrophobicContact CB-CG2 4.09Å
140	F	98.8	Very high	98.4	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-66.8	-49.6	174.8	176.3	-96.9	0	0	0	111.7	A127 L131 R136 W137 L138 C143 M144 C161 M162 V165 I167	A127-F140 HydrophobicContact CB-CD1 3.48Å; A127-F140 VanDerWaalsContact CB-CD1 3.48Å; A127-F140 HydrophobicContact CB-CE1 3.41Å; A127-F140 VanDerWaalsContact CB-CE1 3.41Å; A127-F140 HydrophobicContact CB-CG 4.49Å; A127-F140 HydrophobicContact CB-CZ 4.39Å; L131-F140 HydrophobicContact CD1-CB 4.31Å; R136-F140 PolarHBondContact O-N 2.86Å; W137-F140 WeakPolarHBondContact O-CB 3.37Å; W137-F140 PolarHBondContact O-N 3.04Å; L138-F140 PolarHBondContact O-N 2.73Å; F140-C143 WeakPolarHBondContact O-CB 3.37Å; F140-C143 PolarHBondContact O-N 2.73Å; F140-M144 HydrophobicContact CD1-CG 4.23Å; F140-M144 HydrophobicContact CE1-CG 3.75Å; F140-M144 HydrophobicContact CE2-CG 4.12Å; F140-M144 HydrophobicContact CE2-SD 4.35Å; F140-M144 HydrophobicContact CZ-CG 3.69Å; F140-M144 HydrophobicContact CZ-SD 3.99Å; F140-M144 WeakPolarHBondContact O-CG 3.43Å; F140-M144 PolarHBondContact O-N 2.83Å; F140-C161 HydrophobicContact CD2-CB 3.83Å; F140-C161 HydrophobicContact CE2-CB 3.78Å; F140-M162 HydrophobicContact CE2-CG 3.93Å; F140-V165 HydrophobicContact CB-CG1 4.49Å; F140-V165 HydrophobicContact CB-CG2 4.16Å; F140-I167 HydrophobicContact CB-CD1 4.48Å; F140-I167 HydrophobicContact CD2-CD1 3.5Å; F140-I167 HydrophobicContact CE2-CD1 3.93Å; F140-I167 HydrophobicContact CG-CD1 4.05Å
141	V	98.9	Very high	98.3	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-59.4	-47.6	176.7	169.6	0	0	0	0	111.1	Y61 L92 I128 W137 L138 C143 M144 E145	Y61-V141 HydrophobicContact CE2-CG1 4.38Å; Y61-V141 WeakPolarHBondContact OH-CG1 3.28Å; L92-V141 HydrophobicContact CD2-CB 4.46Å; L92-V141 HydrophobicContact CD2-CG1 3.8Å; I128-V141 HydrophobicContact CD1-CG2 4.49Å; I128-V141 HydrophobicContact CG1-CG2 4.4Å; W137-V141 WeakPolarHBondContact O-CG2 3.28Å; W137-V141 PolarHBondContact O-N 3.35Å; L138-V141 PolarHBondContact O-N 3.15Å; V141-C143 VanDerWaalsContact C-N 3.3Å; V141-C143 PolarHBondContact O-N 3.37Å; V141-M144 WeakPolarHBondContact O-CB 3.47Å; V141-M144 PolarHBondContact O-N 3.36Å; V141-M144 VanDerWaalsContact O-N 3.14Å; V141-E145 PolarHBondContact O-N 3.5Å
142	V	98.9	Very high	98.3	Very high	7 Å²	7	44.3 Å²	44.3	4%	0.042	23%	0.231	C	C	.	.	H	α-helix	trans	-57.2	-44.5	176	166.1	0	0	0	0	111.2	I72 L73 E77 L138 K146	I72-V142 HydrophobicContact CG2-CG2 3.86Å; L73-V142 HydrophobicContact CD2-CG1 4.04Å; E77-V142 HydrophobicContact CB-CG1 4.01Å; E77-V142 HydrophobicContact CB-CG2 4.09Å; E77-V142 HydrophobicContact CG-CG1 3.78Å; E77-V142 HydrophobicContact CG-CG2 4.48Å; E77-V142 WeakPolarHBondContact OE1-CG1 3.03Å; L138-V142 HydrophobicContact CD2-CG2 3.79Å; L138-V142 WeakPolarHBondContact O-CB 3.38Å; L138-V142 WeakPolarHBondContact O-CG2 3Å; L138-V142 PolarHBondContact O-N 2.95Å; V142-K146 WeakPolarHBondContact O-CB 3.4Å; V142-K146 PolarHBondContact O-N 2.95Å
143	C	98.9	Very high	98.4	Very high	7 Å²	7	44 Å²	44	5%	0.047	22%	0.219	C	C	.	.	H	α-helix	trans	-62.5	-44.7	176.7	178.6	0	0	0	0	111.9	P139 F140 V141 K146 A147 C161 K164	P139-C143 VanDerWaalsContact O-CB 3.23Å; P139-C143 WeakPolarHBondContact O-CB 3.35Å; P139-C143 PolarHBondContact O-N 2.98Å; F140-C143 WeakPolarHBondContact O-CB 3.37Å; F140-C143 PolarHBondContact O-N 2.73Å; V141-C143 VanDerWaalsContact C-N 3.3Å; V141-C143 PolarHBondContact O-N 3.37Å; C143-K146 PolarHBondContact O-N 3.38Å; C143-A147 WeakPolarHBondContact O-CB 3.48Å; C143-A147 PolarHBondContact O-N 3.38Å; C143-C161 HydrophobicContact CB-CB 3.65Å; C143-C161 WeakPolarHBondContact CB-SG 3.36Å; C143-C161 PolarHBondContact O-SG 2.84Å; C143-C161 WeakPolarHBondContact SG-CA 3.43Å; C143-C161 WeakPolarHBondContact SG-CB 3.48Å; C143-C161 CovalentContact SG-SG 2.04Å; C143-C161 PolarHBondContact SG-SG 2.92Å; C143-K164 HydrophobicContact CB-CD 4.4Å
144	M	98.9	Very high	98.4	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-60	-51.6	179.4	-76.9	-65.4	-63.6	0	0	110.9	L120 L123 H124 F140 V141 K146 A147 L148 A157 S158 C161	L120-M144 HydrophobicContact CD2-CE 4.1Å; L123-M144 HydrophobicContact CD2-CE 3.72Å; H124-M144 VanDerWaalsContact NE2-CB 3.32Å; H124-M144 WeakPolarHBondContact NE2-CB 3.4Å; F140-M144 HydrophobicContact CD1-CG 4.23Å; F140-M144 HydrophobicContact CE1-CG 3.75Å; F140-M144 HydrophobicContact CE2-CG 4.12Å; F140-M144 HydrophobicContact CE2-SD 4.35Å; F140-M144 HydrophobicContact CZ-CG 3.69Å; F140-M144 HydrophobicContact CZ-SD 3.99Å; F140-M144 WeakPolarHBondContact O-CG 3.43Å; F140-M144 PolarHBondContact O-N 2.83Å; V141-M144 WeakPolarHBondContact O-CB 3.47Å; V141-M144 PolarHBondContact O-N 3.36Å; V141-M144 VanDerWaalsContact O-N 3.14Å; M144-K146 VanDerWaalsContact C-N 3.32Å; M144-K146 PolarHBondContact O-N 3.38Å; M144-A147 PolarHBondContact O-N 3.14Å; M144-L148 HydrophobicContact CE-CD1 4.45Å; M144-L148 WeakPolarHBondContact O-CB 3.36Å; M144-L148 VanDerWaalsContact O-CG 3.26Å; M144-L148 WeakPolarHBondContact O-CG 3.16Å; M144-L148 PolarHBondContact O-N 2.67Å; M144-A157 HydrophobicContact CE-CB 4.17Å; M144-A157 VanDerWaalsContact SD-C 3.57Å; M144-A157 HydrophobicContact SD-CB 4.04Å; M144-S158 VanDerWaalsContact SD-CA 3.56Å; M144-C161 HydrophobicContact CG-CB 4.16Å; M144-C161 PolarHBondContact N-SG 3.36Å; M144-C161 HydrophobicContact SD-CB 4.04Å
145	E	98.9	Very high	98.4	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-61	-41	178.7	-70.2	-51	144.2	0	0	112.2	T63 Q69 I72 H124 V141 A147 L148 K149	T63-E145 WeakPolarHBondContact CG2-OE1 2.95Å; Q69-E145 HydrophobicContact CG-CB 4.14Å; Q69-E145 WeakPolarHBondContact CG-OE2 3.2Å; Q69-E145 PolarHBondContact NE2-OE2 3.27Å; I72-E145 HydrophobicContact CD1-CG 3.86Å; I72-E145 HydrophobicContact CG2-CB 4.41Å; I72-E145 HydrophobicContact CG2-CG 4.41Å; H124-E145 IonicContact CE1-OE1 3.84Å; H124-E145 PolarHBondContact CE1-OE1 2.92Å; H124-E145 IonicContact ND1-OE1 2.81Å; H124-E145 IonicContact NE2-OE1 3.98Å; V141-E145 PolarHBondContact O-N 3.5Å; E145-A147 PolarHBondContact O-N 3.43Å; E145-L148 PolarHBondContact O-N 3.19Å; E145-K149 VanDerWaalsContact O-CB 3.27Å; E145-K149 WeakPolarHBondContact O-CB 3.13Å; E145-K149 PolarHBondContact O-N 2.86Å
146	K	98.8	Very high	98.5	Very high	102 Å²	102	45.9 Å²	45.9	44%	0.443	23%	0.232	S	C	.	.	H	α-helix	trans	-61.4	-44.9	174.8	-171.9	169.9	-176.5	165.8	0	112.5	L73 V142 C143 M144 S150	L73-K146 HydrophobicContact CD1-CB 4.26Å; L73-K146 HydrophobicContact CD2-CB 3.79Å; L73-K146 HydrophobicContact CD2-CG 4.42Å; V142-K146 WeakPolarHBondContact O-CB 3.4Å; V142-K146 PolarHBondContact O-N 2.95Å; C143-K146 PolarHBondContact O-N 3.38Å; M144-K146 VanDerWaalsContact C-N 3.32Å; M144-K146 PolarHBondContact O-N 3.38Å; K146-S150 WeakPolarHBondContact O-CB 3.36Å; K146-S150 PolarHBondContact O-N 3.3Å; K146-S150 PolarHBondContact O-OG 3.15Å
147	A	98.8	Very high	98.5	Very high	5 Å²	5	43 Å²	43	4%	0.041	22%	0.221	C	C	.	.	H	α-helix	trans	-67.5	-43.9	-179.3	0	0	0	0	0	111.2	C143 M144 E145 S150 H151 Y152 A157 L160	C143-A147 WeakPolarHBondContact O-CB 3.48Å; C143-A147 PolarHBondContact O-N 3.38Å; M144-A147 PolarHBondContact O-N 3.14Å; E145-A147 PolarHBondContact O-N 3.43Å; A147-S150 CarbonylContact O-C 3.57Å; A147-S150 WeakPolarHBondContact O-CA 3.33Å; A147-S150 PolarHBondContact O-N 3.31Å; A147-S150 VanDerWaalsContact O-N 3.12Å; A147-H151 PolarHBondContact O-N 2.95Å; A147-Y152 HydrophobicContact CB-CD2 4.46Å; A147-Y152 HydrophobicContact CB-CG 4.17Å; A147-Y152 WeakPolarHBondContact O-CB 3.26Å; A147-Y152 WeakPolarHBondContact O-CD2 3.05Å; A147-Y152 PolarHBondContact O-N 2.73Å; A147-A157 HydrophobicContact CB-CB 3.66Å; A147-L160 HydrophobicContact CB-CD2 4.31Å
148	L	98.6	Very high	98.5	Very high	15 Å²	15	42.8 Å²	42.8	8%	0.079	22%	0.222	C	C	.	.	H	α-helix	trans	-63.5	-44.3	176.5	-68.5	170.1	0	0	0	111.6	L64 L120 M144 E145 S150 H151 A157	L64-L148 HydrophobicContact CD2-CD1 4.38Å; L64-L148 HydrophobicContact CD2-CD2 4.26Å; L120-L148 HydrophobicContact CD1-CD1 3.96Å; L120-L148 HydrophobicContact CD1-CD2 4.1Å; M144-L148 HydrophobicContact CE-CD1 4.45Å; M144-L148 WeakPolarHBondContact O-CB 3.36Å; M144-L148 VanDerWaalsContact O-CG 3.26Å; M144-L148 WeakPolarHBondContact O-CG 3.16Å; M144-L148 PolarHBondContact O-N 2.67Å; E145-L148 PolarHBondContact O-N 3.19Å; L148-S150 PolarHBondContact O-N 3.19Å; L148-H151 WeakPolarHBondContact O-CA 3.46Å; L148-H151 PolarHBondContact O-N 3.46Å; L148-A157 HydrophobicContact CD2-CB 4.34Å; L148-A157 HydrophobicContact CG-CB 4.47Å
149	K	98.3	Very high	98.4	Very high	69 Å²	69	50.5 Å²	50.5	30%	0.3	26%	0.256	S	S	.	.	H	α-helix	trans	-59.1	-33.5	172.2	-166.4	-177.9	-173.7	88.5	0	112.1	Q69 D70 L73 E145 H151	Q69-K149 HydrophobicContact CB-CB 4.45Å; Q69-K149 HydrophobicContact CB-CD 4.16Å; Q69-K149 HydrophobicContact CB-CG 4.5Å; Q69-K149 HydrophobicContact CG-CB 4.4Å; D70-K149 WeakPolarHBondContact OD1-CE 3.5Å; D70-K149 IonicContact OD1-NZ 3.41Å; D70-K149 PolarHBondContact OD1-NZ 2.91Å; D70-K149 IonicContact OD2-NZ 2.97Å; D70-K149 PolarHBondContact OD2-NZ 3.27Å; L73-K149 HydrophobicContact CD1-CD 3.98Å; E145-K149 VanDerWaalsContact O-CB 3.27Å; E145-K149 WeakPolarHBondContact O-CB 3.13Å; E145-K149 PolarHBondContact O-N 2.86Å; K149-H151 PolarHBondContact O-N 3.01Å
150	S	98.3	Very high	98.4	Very high	67 Å²	67	51 Å²	51	47%	0.469	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	15.8	175.4	-50.8	0	0	0	0	113.4	K146 A147 L148 Y152	K146-S150 WeakPolarHBondContact O-CB 3.36Å; K146-S150 PolarHBondContact O-N 3.3Å; K146-S150 PolarHBondContact O-OG 3.15Å; A147-S150 CarbonylContact O-C 3.57Å; A147-S150 WeakPolarHBondContact O-CA 3.33Å; A147-S150 PolarHBondContact O-N 3.31Å; A147-S150 VanDerWaalsContact O-N 3.12Å; L148-S150 PolarHBondContact O-N 3.19Å; S150-Y152 VanDerWaalsContact C-N 3.28Å; S150-Y152 PolarHBondContact O-N 3.11Å
151	H	97.4	Very high	98.4	Very high	178 Å²	178	51 Å²	51	82%	0.824	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.9	23.4	176.7	-49.4	-68	0	0	0	115.7	A147 L148 K149	A147-H151 PolarHBondContact O-N 2.95Å; L148-H151 WeakPolarHBondContact O-CA 3.46Å; L148-H151 PolarHBondContact O-N 3.46Å; K149-H151 PolarHBondContact O-N 3.01Å
152	Y	98.4	Very high	98.3	Very high	116 Å²	116	52.1 Å²	52.1	46%	0.455	26%	0.261	S	S	.	.			trans	-65.9	141.9	168.4	-77.7	-120.7	0	0	0	109.3	A147 S150 L160	A147-Y152 HydrophobicContact CB-CD2 4.46Å; A147-Y152 HydrophobicContact CB-CG 4.17Å; A147-Y152 WeakPolarHBondContact O-CB 3.26Å; A147-Y152 WeakPolarHBondContact O-CD2 3.05Å; A147-Y152 PolarHBondContact O-N 2.73Å; S150-Y152 VanDerWaalsContact C-N 3.28Å; S150-Y152 PolarHBondContact O-N 3.11Å; Y152-L160 HydrophobicContact CD1-CD2 4.25Å; Y152-L160 HydrophobicContact CE1-CD2 3.92Å
153	S	98.3	Very high	98.3	Very high	52 Å²	52	60.7 Å²	60.7	36%	0.364	29%	0.293	S	S	.	.			trans	-61.2	149.6	169.2	72.3	0	0	0	0	110.5	Q155 S156 A157	S153-Q155 PolarHBondContact O-N 2.96Å; S153-Q155 VanDerWaalsContact O-N 3.14Å; S153-S156 PolarHBondContact O-N 2.79Å; S153-S156 WeakPolarHBondContact OG-CB 3.21Å; S153-S156 PolarHBondContact OG-N 2.81Å; S153-S156 PolarHBondContact OG-OG 2.9Å; S153-A157 WeakPolarHBondContact O-CB 3.19Å; S153-A157 PolarHBondContact O-N 3Å
154	P	97.8	Very high	98.2	Very high	29 Å²	29	67 Å²	67	19%	0.188	32%	0.319	C	S	.	.	H	α-helix	trans	-46.9	-43.7	176.5	-32.9	36.8	0	0	0	114	L116 L120 S158	L116-P154 HydrophobicContact CD1-CB 4.36Å; L116-P154 HydrophobicContact CD1-CG 3.73Å; L116-P154 HydrophobicContact CD2-CG 3.97Å; L116-P154 HydrophobicContact CG-CG 4.35Å; L120-P154 HydrophobicContact CD1-CG 4.46Å; L120-P154 HydrophobicContact CD2-CB 4.13Å; P154-S158 WeakPolarHBondContact O-CB 3.48Å; P154-S158 PolarHBondContact O-N 2.89Å
155	Q	97.5	Very high	98.1	Very high	141 Å²	141	68.1 Å²	68.1	66%	0.659	33%	0.326	S	S	*	.	H	α-helix	trans	-67.6	-41.5	179.5	-60.2	79.9	8.2	0	0	111.7	S153 K159	S153-Q155 PolarHBondContact O-N 2.96Å; S153-Q155 VanDerWaalsContact O-N 3.14Å; Q155-K159 WeakPolarHBondContact O-CB 3.08Å; Q155-K159 PolarHBondContact O-N 3.07Å
156	S	98.4	Very high	98.1	Very high	59 Å²	59	72.8 Å²	72.8	41%	0.413	35%	0.351	S	S	.	.	H	α-helix	trans	-68.9	-42	178.4	-58.7	0	0	0	0	111.5	S153 K159 L160	S153-S156 PolarHBondContact O-N 2.79Å; S153-S156 WeakPolarHBondContact OG-CB 3.21Å; S153-S156 PolarHBondContact OG-N 2.81Å; S153-S156 PolarHBondContact OG-OG 2.9Å; S156-K159 PolarHBondContact O-N 3.44Å; S156-L160 WeakPolarHBondContact O-CB 3.27Å; S156-L160 PolarHBondContact O-N 3.15Å
157	A	98.6	Very high	98	Very high	0 Å²	0	68.6 Å²	68.6	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-59.6	-51.4	174.1	0	0	0	0	0	110.9	M144 A147 L148 S153 K159 L160 C161	M144-A157 HydrophobicContact CE-CB 4.17Å; M144-A157 VanDerWaalsContact SD-C 3.57Å; M144-A157 HydrophobicContact SD-CB 4.04Å; A147-A157 HydrophobicContact CB-CB 3.66Å; L148-A157 HydrophobicContact CD2-CB 4.34Å; L148-A157 HydrophobicContact CG-CB 4.47Å; S153-A157 WeakPolarHBondContact O-CB 3.19Å; S153-A157 PolarHBondContact O-N 3Å; A157-K159 PolarHBondContact O-N 3.09Å; A157-L160 WeakPolarHBondContact O-CB 3.35Å; A157-L160 PolarHBondContact O-N 3.39Å; A157-C161 WeakPolarHBondContact O-CB 3.38Å; A157-C161 PolarHBondContact O-N 2.84Å; A157-C161 PolarHBondContact O-SG 2.83Å
158	S	98	Very high	97.9	Very high	12 Å²	12	73.6 Å²	73.6	8%	0.084	35%	0.354	C	S	.	.	H	α-helix	trans	-57.8	-47.5	178.6	-175.2	0	0	0	0	112	M144 P154 C161 M162	M144-S158 VanDerWaalsContact SD-CA 3.56Å; P154-S158 WeakPolarHBondContact O-CB 3.48Å; P154-S158 PolarHBondContact O-N 2.89Å; S158-C161 PolarHBondContact O-N 2.97Å; S158-M162 WeakPolarHBondContact O-CB 3.48Å; S158-M162 VanDerWaalsContact O-CG 3.23Å; S158-M162 WeakPolarHBondContact O-CG 3.49Å; S158-M162 PolarHBondContact O-N 2.92Å; S158-M162 WeakPolarHBondContact OG-CE 3.4Å
159	K	97.4	Very high	97.8	Very high	163 Å²	163	79 Å²	79	71%	0.709	38%	0.382	S	S	*	.	H	α-helix	trans	-64	-42.7	178.8	-175.6	177.7	179.9	179.4	0	112	Q155 S156 A157 R163	Q155-K159 WeakPolarHBondContact O-CB 3.08Å; Q155-K159 PolarHBondContact O-N 3.07Å; S156-K159 PolarHBondContact O-N 3.44Å; A157-K159 PolarHBondContact O-N 3.09Å; K159-R163 PolarHBondContact O-N 3.44Å
160	L	98.4	Very high	97.8	Very high	49 Å²	49	78.9 Å²	78.9	26%	0.257	39%	0.394	S	S	.	.	H	α-helix	trans	-59	-49.9	176.6	172.1	63.3	0	0	0	110.7	A147 Y152 S156 A157 R163 K164	A147-L160 HydrophobicContact CB-CD2 4.31Å; Y152-L160 HydrophobicContact CD1-CD2 4.25Å; Y152-L160 HydrophobicContact CE1-CD2 3.92Å; S156-L160 WeakPolarHBondContact O-CB 3.27Å; S156-L160 PolarHBondContact O-N 3.15Å; A157-L160 WeakPolarHBondContact O-CB 3.35Å; A157-L160 PolarHBondContact O-N 3.39Å; L160-R163 PolarHBondContact O-N 3.18Å; L160-K164 WeakPolarHBondContact O-CB 3.33Å; L160-K164 PolarHBondContact O-N 2.91Å
161	C	98.7	Very high	97.8	Very high	0 Å²	0	77.7 Å²	77.7	0%	0	38%	0.381	C	S	.	.	H	α-helix	trans	-76.6	-35	-171.9	-63.6	0	0	0	0	113.2	F140 C143 M144 A157 S158 R163 K164 V165	F140-C161 HydrophobicContact CD2-CB 3.83Å; F140-C161 HydrophobicContact CE2-CB 3.78Å; C143-C161 HydrophobicContact CB-CB 3.65Å; C143-C161 WeakPolarHBondContact CB-SG 3.36Å; C143-C161 PolarHBondContact O-SG 2.84Å; C143-C161 WeakPolarHBondContact SG-CA 3.43Å; C143-C161 WeakPolarHBondContact SG-CB 3.48Å; C143-C161 CovalentContact SG-SG 2.04Å; C143-C161 PolarHBondContact SG-SG 2.92Å; M144-C161 HydrophobicContact CG-CB 4.16Å; M144-C161 PolarHBondContact N-SG 3.36Å; M144-C161 HydrophobicContact SD-CB 4.04Å; A157-C161 WeakPolarHBondContact O-CB 3.38Å; A157-C161 PolarHBondContact O-N 2.84Å; A157-C161 PolarHBondContact O-SG 2.83Å; S158-C161 PolarHBondContact O-N 2.97Å; C161-R163 VanDerWaalsContact C-N 3.29Å; C161-R163 PolarHBondContact O-N 3.37Å; C161-K164 PolarHBondContact O-N 3.45Å; C161-V165 WeakPolarHBondContact O-CG2 3.15Å; C161-V165 PolarHBondContact O-N 2.79Å
162	M	97.8	Very high	97.8	Very high	23 Å²	23	70 Å²	70	11%	0.113	35%	0.349	C	S	.	.	H	α-helix	trans	-57.8	-43.3	169.1	-74.3	173.9	177.2	0	0	111.4	F140 S158 D166 I167 A172 I175 M176	F140-M162 HydrophobicContact CE2-CG 3.93Å; S158-M162 WeakPolarHBondContact O-CB 3.48Å; S158-M162 VanDerWaalsContact O-CG 3.23Å; S158-M162 WeakPolarHBondContact O-CG 3.49Å; S158-M162 PolarHBondContact O-N 2.92Å; S158-M162 WeakPolarHBondContact OG-CE 3.4Å; M162-D166 PolarHBondContact O-N 2.94Å; M162-I167 HydrophobicContact CB-CB 4.19Å; M162-I167 HydrophobicContact CB-CD1 4.48Å; M162-I167 HydrophobicContact CG-CB 4.4Å; M162-I167 HydrophobicContact CG-CD1 4.11Å; M162-I167 PolarHBondContact O-N 3.15Å; M162-A172 HydrophobicContact CE-CB 4.28Å; M162-A172 HydrophobicContact SD-CB 3.83Å; M162-I175 HydrophobicContact CE-CG2 4.33Å; M162-M176 HydrophobicContact CE-CG 4.21Å; M162-M176 HydrophobicContact CE-SD 3.96Å
163	R	97.8	Very high	97.8	Very high	187 Å²	187	71.6 Å²	71.6	71%	0.706	36%	0.358	S	S	*	.	H	α-helix	trans	-68.4	-43.6	176.2	-177.1	179.1	63.6	-169	-0.9	112.1	K159 L160 C161 V165 D166	K159-R163 PolarHBondContact O-N 3.44Å; L160-R163 PolarHBondContact O-N 3.18Å; C161-R163 VanDerWaalsContact C-N 3.29Å; C161-R163 PolarHBondContact O-N 3.37Å; R163-V165 VanDerWaalsContact C-N 3.25Å; R163-V165 PolarHBondContact O-N 2.94Å; R163-D166 PolarHBondContact O-N 3.28Å; R163-D166 VanDerWaalsContact O-N 3.15Å
164	K	97.2	Very high	97.8	Very high	139 Å²	139	74.9 Å²	74.9	60%	0.604	37%	0.366	S	S	*	.	H	α-helix	trans	-62.2	-34.3	-176.5	-172	178.3	179.3	-174.1	0	112.4	C143 L160 C161	C143-K164 HydrophobicContact CB-CD 4.4Å; L160-K164 WeakPolarHBondContact O-CB 3.33Å; L160-K164 PolarHBondContact O-N 2.91Å; C161-K164 PolarHBondContact O-N 3.45Å
165	V	97.1	Very high	97.8	Very high	24 Å²	24	73.5 Å²	73.5	15%	0.145	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	8.4	-179.6	-175	0	0	0	0	111.9	R136 P139 F140 C161 R163 I167	R136-V165 HydrophobicContact CB-CG1 4.4Å; R136-V165 VanDerWaalsContact O-CG1 3.31Å; R136-V165 WeakPolarHBondContact O-CG1 3.38Å; P139-V165 HydrophobicContact CB-CG2 4.09Å; F140-V165 HydrophobicContact CB-CG1 4.49Å; F140-V165 HydrophobicContact CB-CG2 4.16Å; C161-V165 WeakPolarHBondContact O-CG2 3.15Å; C161-V165 PolarHBondContact O-N 2.79Å; R163-V165 VanDerWaalsContact C-N 3.25Å; R163-V165 PolarHBondContact O-N 2.94Å; V165-I167 HydrophobicContact CB-CG1 4.25Å; V165-I167 HydrophobicContact CG1-CG1 4.36Å; V165-I167 PolarHBondContact O-N 3.17Å
166	D	97.6	Very high	97.9	Very high	98 Å²	98	70.8 Å²	70.8	52%	0.524	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.6	40.1	-179.6	-168.9	30.2	0	0	0	113.4	M162 R163 K168	M162-D166 PolarHBondContact O-N 2.94Å; R163-D166 PolarHBondContact O-N 3.28Å; R163-D166 VanDerWaalsContact O-N 3.15Å; D166-K168 PolarHBondContact O-N 2.97Å; D166-K168 IonicContact OD1-NZ 2.75Å; D166-K168 PolarHBondContact OD1-NZ 2.99Å; D166-K168 IonicContact OD2-NZ 2.64Å; D166-K168 PolarHBondContact OD2-NZ 2.64Å
167	I	97.8	Very high	97.9	Very high	15 Å²	15	75.6 Å²	75.6	8%	0.077	36%	0.358	C	S	.	.			trans	-67.4	118.9	172.8	-60.7	-175.4	0	0	0	108	L131 F140 M162 V165 E171 A172 I175	L131-I167 HydrophobicContact CD1-CD1 3.82Å; L131-I167 HydrophobicContact CD1-CG1 4.46Å; L131-I167 HydrophobicContact CD2-CD1 4.05Å; L131-I167 HydrophobicContact CD2-CG1 4.02Å; L131-I167 HydrophobicContact CD2-CG2 4.32Å; L131-I167 HydrophobicContact CG-CD1 4.48Å; F140-I167 HydrophobicContact CB-CD1 4.48Å; F140-I167 HydrophobicContact CD2-CD1 3.5Å; F140-I167 HydrophobicContact CE2-CD1 3.93Å; F140-I167 HydrophobicContact CG-CD1 4.05Å; M162-I167 HydrophobicContact CB-CB 4.19Å; M162-I167 HydrophobicContact CB-CD1 4.48Å; M162-I167 HydrophobicContact CG-CB 4.4Å; M162-I167 HydrophobicContact CG-CD1 4.11Å; M162-I167 PolarHBondContact O-N 3.15Å; V165-I167 HydrophobicContact CB-CG1 4.25Å; V165-I167 HydrophobicContact CG1-CG1 4.36Å; V165-I167 PolarHBondContact O-N 3.17Å; I167-E171 HydrophobicContact CG2-CB 3.76Å; I167-A172 HydrophobicContact CG2-CB 4.14Å; I167-I175 HydrophobicContact CD1-CD1 4.29Å; I167-I175 HydrophobicContact CG2-CD1 4.14Å
168	K	96.6	Very high	97.9	Very high	109 Å²	109	75.6 Å²	75.6	47%	0.474	36%	0.358	S	S	.	.			trans	-70.1	154.6	-177.2	-55.1	-57.3	175.2	-170.2	0	110.4	D166 A170 E171 A172	D166-K168 PolarHBondContact O-N 2.97Å; D166-K168 IonicContact OD1-NZ 2.75Å; D166-K168 PolarHBondContact OD1-NZ 2.99Å; D166-K168 IonicContact OD2-NZ 2.64Å; D166-K168 PolarHBondContact OD2-NZ 2.64Å; K168-A170 PolarHBondContact O-N 3.29Å; K168-A170 VanDerWaalsContact O-N 3.13Å; K168-E171 HydrophobicContact CB-CG 4.43Å; K168-E171 WeakPolarHBondContact CB-OE2 3.46Å; K168-E171 PolarHBondContact N-OE2 3.36Å; K168-E171 WeakPolarHBondContact O-CB 3.37Å; K168-E171 PolarHBondContact O-N 3.36Å; K168-A172 PolarHBondContact O-N 2.79Å
169	I	96.6	Very high	97.9	Very high	130 Å²	130	75.9 Å²	75.9	67%	0.667	36%	0.36	S	S	*	.	H	α-helix	trans	-54.3	-38.8	-178.3	-65	173.3	0	0	0	111.9	K173	I169-K173 HydrophobicContact CG2-CD 4.28Å; I169-K173 WeakPolarHBondContact O-CB 3.46Å; I169-K173 VanDerWaalsContact O-CG 3.29Å; I169-K173 WeakPolarHBondContact O-CG 3.35Å; I169-K173 PolarHBondContact O-N 3.1Å
170	A	97.6	Very high	97.9	Very high	66 Å²	66	73.6 Å²	73.6	55%	0.545	36%	0.359	S	S	.	.	H	α-helix	trans	-64.3	-40.8	178	0	0	0	0	0	112.4	K168 K173 K174	K168-A170 PolarHBondContact O-N 3.29Å; K168-A170 VanDerWaalsContact O-N 3.13Å; A170-K173 PolarHBondContact O-N 2.84Å; A170-K174 WeakPolarHBondContact O-CG 3.1Å; A170-K174 PolarHBondContact O-N 3.49Å
171	E	98	Very high	97.9	Very high	41 Å²	41	72.2 Å²	72.2	19%	0.192	36%	0.357	C	S	.	.	H	α-helix	trans	-70.2	-45.2	177.1	-60.4	172.6	118	0	0	110.8	R136 I167 K168 K173 K174 I175	R136-E171 IonicContact CZ-OE1 3.8Å; R136-E171 VanDerWaalsContact CZ-OE1 3.27Å; R136-E171 IonicContact CZ-OE2 3.19Å; R136-E171 IonicContact NH1-OE1 2.81Å; R136-E171 PolarHBondContact NH1-OE1 3.18Å; R136-E171 IonicContact NH1-OE2 2.69Å; R136-E171 VanDerWaalsContact NH2-CD 3.26Å; R136-E171 IonicContact NH2-OE1 3.97Å; R136-E171 PolarHBondContact NH2-OE1 3.38Å; R136-E171 IonicContact NH2-OE2 3.04Å; R136-E171 PolarHBondContact NH2-OE2 2.98Å; I167-E171 HydrophobicContact CG2-CB 3.76Å; K168-E171 HydrophobicContact CB-CG 4.43Å; K168-E171 WeakPolarHBondContact CB-OE2 3.46Å; K168-E171 PolarHBondContact N-OE2 3.36Å; K168-E171 WeakPolarHBondContact O-CB 3.37Å; K168-E171 PolarHBondContact O-N 3.36Å; E171-K173 PolarHBondContact O-N 2.9Å; E171-K174 WeakPolarHBondContact O-CB 3.44Å; E171-K174 PolarHBondContact O-N 3.29Å; E171-I175 WeakPolarHBondContact O-CG1 3.27Å; E171-I175 PolarHBondContact O-N 3.03Å
172	A	98	Very high	97.8	Very high	18 Å²	18	78.5 Å²	78.5	15%	0.149	39%	0.391	C	S	.	.	H	α-helix	trans	-56.1	-41	174.9	0	0	0	0	0	111.6	M162 I167 K168 I175 M176	M162-A172 HydrophobicContact CE-CB 4.28Å; M162-A172 HydrophobicContact SD-CB 3.83Å; I167-A172 HydrophobicContact CG2-CB 4.14Å; K168-A172 PolarHBondContact O-N 2.79Å; A172-I175 PolarHBondContact O-N 3.03Å; A172-M176 WeakPolarHBondContact O-CB 3.41Å; A172-M176 VanDerWaalsContact O-CG 3.26Å; A172-M176 WeakPolarHBondContact O-CG 3.46Å; A172-M176 PolarHBondContact O-N 3.38Å
173	K	98	Very high	97.9	Very high	148 Å²	148	80.5 Å²	80.5	64%	0.643	40%	0.4	S	S	*	.	H	α-helix	trans	-62.6	-42.1	174.3	-76.6	175.2	179.6	-177.8	0	112.6	I169 A170 E171 K177	I169-K173 HydrophobicContact CG2-CD 4.28Å; I169-K173 WeakPolarHBondContact O-CB 3.46Å; I169-K173 VanDerWaalsContact O-CG 3.29Å; I169-K173 WeakPolarHBondContact O-CG 3.35Å; I169-K173 PolarHBondContact O-N 3.1Å; A170-K173 PolarHBondContact O-N 2.84Å; E171-K173 PolarHBondContact O-N 2.9Å; K173-K177 VanDerWaalsContact O-CB 3.3Å; K173-K177 WeakPolarHBondContact O-CB 3.25Å; K173-K177 PolarHBondContact O-N 3.12Å
174	K	98.4	Very high	97.9	Very high	122 Å²	122	71.6 Å²	71.6	53%	0.53	37%	0.367	S	S	.	.	H	α-helix	trans	-63.4	-48.5	175.8	-70.3	179.5	179.9	-176.4	0	111.4	A170 E171 M176 K177 C178	A170-K174 WeakPolarHBondContact O-CG 3.1Å; A170-K174 PolarHBondContact O-N 3.49Å; E171-K174 WeakPolarHBondContact O-CB 3.44Å; E171-K174 PolarHBondContact O-N 3.29Å; K174-M176 VanDerWaalsContact C-N 3.35Å; K174-M176 PolarHBondContact O-N 2.98Å; K174-K177 PolarHBondContact O-N 2.7Å; K174-C178 WeakPolarHBondContact O-CB 3.27Å; K174-C178 PolarHBondContact O-N 3.48Å
175	I	98.6	Very high	98	Very high	0 Å²	0	69.4 Å²	69.4	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-57.2	-48.9	177.5	-67	166.7	0	0	0	110.2	L123 C126 A127 H130 L131 M162 I167 E171 A172 K177 C178 T179	L123-I175 HydrophobicContact CD1-CG2 3.64Å; C126-I175 HydrophobicContact CB-CG2 4.29Å; A127-I175 HydrophobicContact CB-CD1 4.4Å; A127-I175 HydrophobicContact CB-CG2 4.42Å; H130-I175 HydrophobicContact CB-CG1 3.8Å; L131-I175 HydrophobicContact CD2-CD1 4.2Å; L131-I175 HydrophobicContact CG-CD1 4.18Å; M162-I175 HydrophobicContact CE-CG2 4.33Å; I167-I175 HydrophobicContact CD1-CD1 4.29Å; I167-I175 HydrophobicContact CG2-CD1 4.14Å; E171-I175 WeakPolarHBondContact O-CG1 3.27Å; E171-I175 PolarHBondContact O-N 3.03Å; A172-I175 PolarHBondContact O-N 3.03Å; I175-K177 PolarHBondContact O-N 3.48Å; I175-C178 WeakPolarHBondContact O-CB 3.45Å; I175-C178 PolarHBondContact O-N 3.09Å; I175-T179 PolarHBondContact O-N 3.03Å; I175-T179 PolarHBondContact O-OG1 3.21Å
176	M	98.2	Very high	98	Very high	83 Å²	83	73.2 Å²	73.2	41%	0.409	38%	0.375	S	S	.	.	H	α-helix	trans	-66.2	-38.8	180	-68.8	-52.7	-58	0	0	112.8	L123 M162 A172 K174 T179 T180	L123-M176 HydrophobicContact CD1-SD 4.3Å; M162-M176 HydrophobicContact CE-CG 4.21Å; M162-M176 HydrophobicContact CE-SD 3.96Å; A172-M176 WeakPolarHBondContact O-CB 3.41Å; A172-M176 VanDerWaalsContact O-CG 3.26Å; A172-M176 WeakPolarHBondContact O-CG 3.46Å; A172-M176 PolarHBondContact O-N 3.38Å; K174-M176 VanDerWaalsContact C-N 3.35Å; K174-M176 PolarHBondContact O-N 2.98Å; M176-T179 PolarHBondContact O-N 3.19Å; M176-T180 PolarHBondContact O-N 2.87Å; M176-T180 PolarHBondContact O-OG1 3.07Å
177	K	98.6	Very high	98.1	Very high	160 Å²	160	69.1 Å²	69.1	70%	0.696	35%	0.353	S	S	*	.	H	α-helix	trans	-61.9	-44.6	174.3	-176.4	-174.5	177.3	-170.3	0	111.3	K173 K174 I175 T180 G181	K173-K177 VanDerWaalsContact O-CB 3.3Å; K173-K177 WeakPolarHBondContact O-CB 3.25Å; K173-K177 PolarHBondContact O-N 3.12Å; K174-K177 PolarHBondContact O-N 2.7Å; I175-K177 PolarHBondContact O-N 3.48Å; K177-T180 PolarHBondContact O-N 2.74Å; K177-G181 PolarHBondContact O-N 2.92Å; K177-G181 VanDerWaalsContact O-N 3.16Å
178	C	98.8	Very high	98.1	Very high	0 Å²	0	68.6 Å²	68.6	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-59.3	-47.6	174.9	172.9	0	0	0	0	110.9	C126 K174 I175 T180 G181 E183 G184	C126-C178 VanDerWaalsContact CA-SG 3.58Å; C126-C178 HydrophobicContact CB-CB 3.64Å; C126-C178 WeakPolarHBondContact CB-SG 3.46Å; C126-C178 WeakPolarHBondContact SG-CB 3.34Å; C126-C178 CovalentContact SG-SG 2.04Å; C126-C178 PolarHBondContact SG-SG 2.89Å; K174-C178 WeakPolarHBondContact O-CB 3.27Å; K174-C178 PolarHBondContact O-N 3.48Å; I175-C178 WeakPolarHBondContact O-CB 3.45Å; I175-C178 PolarHBondContact O-N 3.09Å; C178-T180 PolarHBondContact O-N 3Å; C178-G181 PolarHBondContact O-N 3.29Å; C178-E183 HydrophobicContact CB-CB 4.47Å; C178-E183 HydrophobicContact CB-CG 4.38Å; C178-E183 WeakPolarHBondContact CB-OE2 3.43Å; C178-G184 VanDerWaalsContact O-CA 3.26Å; C178-G184 WeakPolarHBondContact O-CA 3.46Å; C178-G184 PolarHBondContact O-N 3Å; C178-G184 VanDerWaalsContact O-N 3.12Å
179	T	98.5	Very high	98.2	Very high	19 Å²	19	65.8 Å²	65.8	12%	0.117	34%	0.34	C	S	.	.	H	α-helix	trans	-59.9	-30.1	-178.8	-58.3	0	0	0	0	113.1	K122 L123 C126 I175 M176	K122-T179 WeakPolarHBondContact CD-O 3.29Å; L123-T179 WeakPolarHBondContact CA-OG1 3.28Å; L123-T179 HydrophobicContact CB-CG2 3.97Å; L123-T179 HydrophobicContact CD1-CG2 4.44Å; L123-T179 WeakPolarHBondContact CD1-OG1 3.36Å; C126-T179 PolarHBondContact SG-N 2.94Å; I175-T179 PolarHBondContact O-N 3.03Å; I175-T179 PolarHBondContact O-OG1 3.21Å; M176-T179 PolarHBondContact O-N 3.19Å
180	T	97.8	Very high	98.3	Very high	114 Å²	114	64.3 Å²	64.3	70%	0.699	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.6	7.9	-178.6	61.4	0	0	0	0	113.9	M176 K177 C178	M176-T180 PolarHBondContact O-N 2.87Å; M176-T180 PolarHBondContact O-OG1 3.07Å; K177-T180 PolarHBondContact O-N 2.74Å; C178-T180 PolarHBondContact O-N 3Å
181	G	97.8	Very high	98.4	Very high	21 Å²	21	62.5 Å²	62.5	22%	0.216	31%	0.309	C	S	.	.	S	Bend	trans	-132.9	-178.2	-174.6	0	0	0	0	0	114	K177 C178 E183 G184 E185	K177-G181 PolarHBondContact O-N 2.92Å; K177-G181 VanDerWaalsContact O-N 3.16Å; C178-G181 PolarHBondContact O-N 3.29Å; G181-E183 PolarHBondContact O-N 2.96Å; G181-G184 PolarHBondContact O-N 3.23Å; G181-G184 VanDerWaalsContact O-N 3.09Å; G181-E185 PolarHBondContact O-N 3.03Å
182	D	97.6	Very high	98.4	Very high	132 Å²	132	60.5 Å²	60.5	71%	0.706	30%	0.3	S	S	*	.	H	α-helix	trans	-60.1	-32.5	-173.8	-54.4	-8.7	0	0	0	112.9	G184 E185 E186	D182-G184 VanDerWaalsContact C-N 3.32Å; D182-G184 PolarHBondContact O-N 3.45Å; D182-E185 WeakPolarHBondContact O-CA 3.47Å; D182-E185 WeakPolarHBondContact O-CB 3.27Å; D182-E185 PolarHBondContact O-N 3.4Å; D182-E186 PolarHBondContact O-N 2.98Å
183	E	98.7	Very high	98.4	Very high	65 Å²	65	65.1 Å²	65.1	30%	0.304	32%	0.318	S	S	.	.	H	α-helix	trans	-58.5	-43.9	175.9	-175	-174.7	-173.5	0	0	111.5	H129 H130 C178 G181 E185 E186 L187	H129-E183 IonicContact CD2-OE1 2.76Å; H129-E183 PolarHBondContact CD2-OE1 3.47Å; H129-E183 IonicContact NE2-OE1 2.88Å; H130-E183 IonicContact CD2-OE1 3.97Å; H130-E183 IonicContact CE1-OE1 3.87Å; H130-E183 PolarHBondContact CE1-OE1 2.91Å; H130-E183 IonicContact CE1-OE2 3.36Å; H130-E183 VanDerWaalsContact NE2-CD 3.27Å; H130-E183 IonicContact NE2-OE1 3.12Å; H130-E183 PolarHBondContact NE2-OE1 3.26Å; H130-E183 IonicContact NE2-OE2 3.57Å; H130-E183 PolarHBondContact NE2-OE2 3.25Å; C178-E183 HydrophobicContact CB-CB 4.47Å; C178-E183 HydrophobicContact CB-CG 4.38Å; C178-E183 WeakPolarHBondContact CB-OE2 3.43Å; G181-E183 PolarHBondContact O-N 2.96Å; E183-E185 VanDerWaalsContact C-N 3.29Å; E183-E185 PolarHBondContact O-N 3.49Å; E183-E186 PolarHBondContact O-N 3.36Å; E183-L187 HydrophobicContact CG-CD1 4.45Å; E183-L187 WeakPolarHBondContact O-CB 3.33Å; E183-L187 VanDerWaalsContact O-CG 3.3Å; E183-L187 WeakPolarHBondContact O-CG 3.48Å; E183-L187 PolarHBondContact O-N 3.2Å
184	G	98.7	Very high	98.4	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-68.3	-29.5	176.1	0	0	0	0	0	112.6	C178 G181 D182 Q188	C178-G184 VanDerWaalsContact O-CA 3.26Å; C178-G184 WeakPolarHBondContact O-CA 3.46Å; C178-G184 PolarHBondContact O-N 3Å; C178-G184 VanDerWaalsContact O-N 3.12Å; G181-G184 PolarHBondContact O-N 3.23Å; G181-G184 VanDerWaalsContact O-N 3.09Å; D182-G184 VanDerWaalsContact C-N 3.32Å; D182-G184 PolarHBondContact O-N 3.45Å; G184-Q188 WeakPolarHBondContact O-CB 3.42Å; G184-Q188 VanDerWaalsContact O-CG 3.28Å; G184-Q188 WeakPolarHBondContact O-CG 3.33Å; G184-Q188 PolarHBondContact O-N 3.19Å; G184-Q188 VanDerWaalsContact O-N 3.07Å
185	E	98.1	Very high	98.4	Very high	92 Å²	92	54.4 Å²	54.4	43%	0.43	27%	0.271	S	S	.	.	H	α-helix	trans	-68.8	-46	172.7	-62.9	-173.2	170.9	0	0	111.4	K122 G181 D182 E183 L187 Q188 L189	K122-E185 VanDerWaalsContact NZ-CG 3.26Å; K122-E185 IonicContact NZ-OE1 2.81Å; G181-E185 PolarHBondContact O-N 3.03Å; D182-E185 WeakPolarHBondContact O-CA 3.47Å; D182-E185 WeakPolarHBondContact O-CB 3.27Å; D182-E185 PolarHBondContact O-N 3.4Å; E183-E185 VanDerWaalsContact C-N 3.29Å; E183-E185 PolarHBondContact O-N 3.49Å; E185-L187 PolarHBondContact O-N 3.16Å; E185-Q188 PolarHBondContact O-N 3.22Å; E185-L189 WeakPolarHBondContact O-CG 3.49Å; E185-L189 PolarHBondContact O-N 3.09Å
186	E	98.4	Very high	98.4	Very high	105 Å²	105	58.5 Å²	58.5	49%	0.491	29%	0.29	S	S	.	.	H	α-helix	trans	-59.2	-46.1	175.5	-170.1	-166.4	149.5	0	0	111.3	D182 E183 Q188 L189 K190	D182-E186 PolarHBondContact O-N 2.98Å; E183-E186 PolarHBondContact O-N 3.36Å; E186-Q188 VanDerWaalsContact C-N 3.31Å; E186-Q188 PolarHBondContact O-N 3.03Å; E186-L189 PolarHBondContact O-N 3.44Å; E186-K190 PolarHBondContact O-N 3.26Å; E186-K190 WeakPolarHBondContact OE1-CE 3.43Å; E186-K190 IonicContact OE1-NZ 3.99Å; E186-K190 PolarHBondContact OE1-NZ 3.08Å
187	L	98.9	Very high	98.3	Very high	12 Å²	12	58.2 Å²	58.2	6%	0.063	29%	0.293	C	S	.	.	H	α-helix	trans	-60.9	-40.8	176.5	-71.9	174.4	0	0	0	111.6	H129 E183 E185 L189 K190 M191	H129-L187 HydrophobicContact CB-CD1 3.69Å; H129-L187 HydrophobicContact CB-CD2 4.2Å; E183-L187 HydrophobicContact CG-CD1 4.45Å; E183-L187 WeakPolarHBondContact O-CB 3.33Å; E183-L187 VanDerWaalsContact O-CG 3.3Å; E183-L187 WeakPolarHBondContact O-CG 3.48Å; E183-L187 PolarHBondContact O-N 3.2Å; E185-L187 PolarHBondContact O-N 3.16Å; L187-L189 VanDerWaalsContact C-N 3.33Å; L187-L189 PolarHBondContact O-N 3.02Å; L187-K190 WeakPolarHBondContact O-CB 3.19Å; L187-K190 PolarHBondContact O-N 3.41Å; L187-M191 WeakPolarHBondContact O-CG 3.39Å; L187-M191 PolarHBondContact O-N 3.45Å
188	Q	98.8	Very high	98.2	Very high	4 Å²	4	51.1 Å²	51.1	2%	0.019	26%	0.262	C	S	.	.	H	α-helix	trans	-68.2	-30.9	177.2	-78	-71.6	-61.5	0	0	112.9	P94 I109 N121 K122 S125 G184 E185 E186 M191 A192	P94-Q188 PolarHBondContact O-NE2 2.03Å; I109-Q188 HydrophobicContact CD1-CB 3.5Å; N121-Q188 VanDerWaalsContact C-NE2 3.35Å; N121-Q188 PolarHBondContact O-NE2 3.37Å; K122-Q188 HydrophobicContact CB-CG 3.88Å; K122-Q188 HydrophobicContact CG-CG 4.05Å; S125-Q188 PolarHBondContact OG-NE2 3.01Å; G184-Q188 WeakPolarHBondContact O-CB 3.42Å; G184-Q188 VanDerWaalsContact O-CG 3.28Å; G184-Q188 WeakPolarHBondContact O-CG 3.33Å; G184-Q188 PolarHBondContact O-N 3.19Å; G184-Q188 VanDerWaalsContact O-N 3.07Å; E185-Q188 PolarHBondContact O-N 3.22Å; E186-Q188 VanDerWaalsContact C-N 3.31Å; E186-Q188 PolarHBondContact O-N 3.03Å; Q188-M191 PolarHBondContact O-N 3.49Å; Q188-A192 WeakPolarHBondContact O-CB 3.29Å; Q188-A192 PolarHBondContact O-N 3.3Å
189	L	98.6	Very high	98.1	Very high	50 Å²	50	58.5 Å²	58.5	26%	0.262	29%	0.294	S	S	.	.	H	α-helix	trans	-67.5	-36.7	170.5	-65.6	175.5	0	0	0	112.3	K100 W107 I109 E185 E186 L187 A192 E193	K100-L189 HydrophobicContact CD-CD2 4.15Å; W107-L189 HydrophobicContact CB-CD1 4.12Å; W107-L189 HydrophobicContact CB-CD2 3.47Å; W107-L189 VanDerWaalsContact CB-CD2 3.47Å; W107-L189 HydrophobicContact CB-CG 4.44Å; W107-L189 HydrophobicContact CG-CD1 4.46Å; W107-L189 HydrophobicContact CG-CD2 3.97Å; I109-L189 HydrophobicContact CD1-CD2 4.23Å; I109-L189 HydrophobicContact CG1-CD2 4.49Å; E185-L189 WeakPolarHBondContact O-CG 3.49Å; E185-L189 PolarHBondContact O-N 3.09Å; E186-L189 PolarHBondContact O-N 3.44Å; L187-L189 VanDerWaalsContact C-N 3.33Å; L187-L189 PolarHBondContact O-N 3.02Å; L189-A192 WeakPolarHBondContact O-CB 3.22Å; L189-A192 PolarHBondContact O-N 2.99Å; L189-E193 PolarHBondContact O-N 3.48Å
190	K	98.7	Very high	98	Very high	98 Å²	98	61.7 Å²	61.7	43%	0.426	32%	0.316	S	S	.	.	H	α-helix	trans	-64.7	-41.5	171.7	-67.7	173.8	-174.7	166.9	0	111.6	E186 L187 A192 E193 R194	E186-K190 PolarHBondContact O-N 3.26Å; E186-K190 WeakPolarHBondContact OE1-CE 3.43Å; E186-K190 IonicContact OE1-NZ 3.99Å; E186-K190 PolarHBondContact OE1-NZ 3.08Å; L187-K190 WeakPolarHBondContact O-CB 3.19Å; L187-K190 PolarHBondContact O-N 3.41Å; K190-A192 VanDerWaalsContact C-N 3.33Å; K190-A192 PolarHBondContact O-N 3.25Å; K190-E193 PolarHBondContact O-N 3.16Å; K190-R194 VanDerWaalsContact O-CB 3.31Å; K190-R194 WeakPolarHBondContact O-CB 3.5Å; K190-R194 PolarHBondContact O-N 3.09Å
191	M	98.8	Very high	98	Very high	28 Å²	28	58.5 Å²	58.5	14%	0.138	29%	0.294	C	S	.	.	H	α-helix	trans	-64.8	-37.9	175.2	-61.2	-53.5	161	0	0	112.1	V93 S125 L187 Q188 R194 T195	V93-M191 HydrophobicContact CB-SD 4.34Å; V93-M191 HydrophobicContact CG1-CB 3.93Å; V93-M191 HydrophobicContact CG1-CG 4.4Å; V93-M191 WeakPolarHBondContact CG1-O 3.38Å; V93-M191 HydrophobicContact CG1-SD 3.82Å; S125-M191 WeakPolarHBondContact OG-CG 3.31Å; L187-M191 WeakPolarHBondContact O-CG 3.39Å; L187-M191 PolarHBondContact O-N 3.45Å; Q188-M191 PolarHBondContact O-N 3.49Å; M191-R194 PolarHBondContact O-N 3.1Å; M191-T195 WeakPolarHBondContact O-CB 3.48Å; M191-T195 PolarHBondContact O-N 3.33Å; M191-T195 PolarHBondContact O-OG1 3.36Å
192	A	98.7	Very high	98	Very high	0 Å²	0	67.2 Å²	67.2	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-61.6	-51.5	173.4	0	0	0	0	0	111.3	Y95 K100 Q188 L189 K190 R194 T195 E196	Y95-A192 HydrophobicContact CD1-CB 4.44Å; Y95-A192 HydrophobicContact CD2-CB 3.93Å; Y95-A192 HydrophobicContact CE1-CB 3.94Å; Y95-A192 HydrophobicContact CE2-CB 3.38Å; Y95-A192 HydrophobicContact CG-CB 4.43Å; K100-A192 HydrophobicContact CD-CB 3.92Å; Q188-A192 WeakPolarHBondContact O-CB 3.29Å; Q188-A192 PolarHBondContact O-N 3.3Å; L189-A192 WeakPolarHBondContact O-CB 3.22Å; L189-A192 PolarHBondContact O-N 2.99Å; K190-A192 VanDerWaalsContact C-N 3.33Å; K190-A192 PolarHBondContact O-N 3.25Å; A192-R194 VanDerWaalsContact C-N 3.34Å; A192-R194 PolarHBondContact O-N 3.38Å; A192-T195 WeakPolarHBondContact O-CB 3.39Å; A192-T195 PolarHBondContact O-N 3.15Å; A192-T195 VanDerWaalsContact O-N 3.15Å; A192-E196 WeakPolarHBondContact O-CB 2.97Å; A192-E196 WeakPolarHBondContact O-CG 3.42Å; A192-E196 PolarHBondContact O-N 2.98Å
193	E	98.2	Very high	97.9	Very high	114 Å²	114	62.2 Å²	62.2	53%	0.533	29%	0.293	S	S	.	.	H	α-helix	trans	-58.6	-45.8	177.2	-179.5	174.7	-156.7	0	0	111.5	L189 K190 T195 E196 T197	L189-E193 PolarHBondContact O-N 3.48Å; K190-E193 PolarHBondContact O-N 3.16Å; E193-T195 PolarHBondContact O-N 3.36Å; E193-E196 PolarHBondContact O-N 3.45Å; E193-T197 HydrophobicContact CG-CG2 4.01Å; E193-T197 WeakPolarHBondContact O-CB 3.34Å; E193-T197 VanDerWaalsContact O-CG2 3.26Å; E193-T197 WeakPolarHBondContact O-CG2 3.47Å; E193-T197 PolarHBondContact O-N 3.06Å; E193-T197 PolarHBondContact O-OG1 3.43Å
194	R	98.2	Very high	97.9	Very high	45 Å²	45	67.6 Å²	67.6	17%	0.17	31%	0.31	C	S	.	.	H	α-helix	trans	-57.7	-37.5	176.8	-179.2	60.2	-178.5	112.6	-10.3	112.4	T58 E91 V93 K190 M191 A192 I198 D213	T58-R194 PolarHBondContact OG1-NH2 2.97Å; T58-R194 VanDerWaalsContact OG1-NH2 3.11Å; E91-R194 WeakPolarHBondContact OE1-CD 3.37Å; E91-R194 IonicContact OE1-CZ 3.68Å; E91-R194 IonicContact OE1-NE 3.18Å; E91-R194 PolarHBondContact OE1-NE 3.2Å; E91-R194 IonicContact OE1-NH2 3.99Å; E91-R194 IonicContact OE2-CZ 2.99Å; E91-R194 IonicContact OE2-NE 2.68Å; E91-R194 PolarHBondContact OE2-NE 3.18Å; E91-R194 VanDerWaalsContact OE2-NE 3.12Å; E91-R194 IonicContact OE2-NH2 2.64Å; E91-R194 PolarHBondContact OE2-NH2 2.96Å; V93-R194 HydrophobicContact CG1-CB 4.19Å; V93-R194 HydrophobicContact CG1-CG 4.09Å; V93-R194 HydrophobicContact CG2-CG 3.74Å; K190-R194 VanDerWaalsContact O-CB 3.31Å; K190-R194 WeakPolarHBondContact O-CB 3.5Å; K190-R194 PolarHBondContact O-N 3.09Å; M191-R194 PolarHBondContact O-N 3.1Å; A192-R194 VanDerWaalsContact C-N 3.34Å; A192-R194 PolarHBondContact O-N 3.38Å; R194-I198 WeakPolarHBondContact O-CG2 3.46Å; R194-D213 IonicContact CZ-OD1 3.8Å; R194-D213 IonicContact NH2-OD1 3.96Å; R194-D213 PolarHBondContact NH2-OD1 3.04Å
195	T	98.6	Very high	97.8	Very high	1 Å²	1	72.1 Å²	72.1	1%	0.006	33%	0.33	C	S	.	.	H	α-helix	trans	-75.5	-37.4	178.1	-62.4	0	0	0	0	112.7	L60 V93 Y95 M191 A192 E193 H203	L60-T195 HydrophobicContact CD1-CG2 4.23Å; V93-T195 WeakPolarHBondContact CG1-OG1 3.39Å; Y95-T195 HydrophobicContact CD1-CG2 3.95Å; Y95-T195 HydrophobicContact CE1-CG2 4.45Å; M191-T195 WeakPolarHBondContact O-CB 3.48Å; M191-T195 PolarHBondContact O-N 3.33Å; M191-T195 PolarHBondContact O-OG1 3.36Å; A192-T195 WeakPolarHBondContact O-CB 3.39Å; A192-T195 PolarHBondContact O-N 3.15Å; A192-T195 VanDerWaalsContact O-N 3.15Å; E193-T195 PolarHBondContact O-N 3.36Å; T195-H203 WeakPolarHBondContact CG2-CE1 3.33Å; T195-H203 WeakPolarHBondContact CG2-ND1 3.25Å
196	E	97.2	Very high	97.8	Very high	86 Å²	86	68.1 Å²	68.1	40%	0.402	31%	0.312	S	S	.	.	H	α-helix	trans	-79.6	-24.8	-176.6	-72.4	165.3	-179.2	0	0	113.1	K100 A192 E193	K100-E196 WeakPolarHBondContact CE-OE1 2.97Å; K100-E196 WeakPolarHBondContact CE-OE2 3.14Å; K100-E196 IonicContact NZ-OE1 3.76Å; K100-E196 IonicContact NZ-OE2 3.18Å; K100-E196 PolarHBondContact NZ-OE2 2.76Å; A192-E196 WeakPolarHBondContact O-CB 2.97Å; A192-E196 WeakPolarHBondContact O-CG 3.42Å; A192-E196 PolarHBondContact O-N 2.98Å; E193-E196 PolarHBondContact O-N 3.45Å
197	T	96.9	Very high	97.9	Very high	77 Å²	77	63.4 Å²	63.4	47%	0.472	29%	0.291	S	S	.	.	S	Bend	trans	-97.7	2.3	-174.9	57.6	0	0	0	0	114.3	E193	E193-T197 HydrophobicContact CG-CG2 4.01Å; E193-T197 WeakPolarHBondContact O-CB 3.34Å; E193-T197 VanDerWaalsContact O-CG2 3.26Å; E193-T197 WeakPolarHBondContact O-CG2 3.47Å; E193-T197 PolarHBondContact O-N 3.06Å; E193-T197 PolarHBondContact O-OG1 3.43Å
198	I	97.4	Very high	97.9	Very high	10 Å²	10	62.9 Å²	62.9	5%	0.051	29%	0.288	C	S	.	.			trans	-60.1	152.6	176.8	73.4	174.6	0	0	0	112.1	L60 R194 H203 L210	L60-I198 HydrophobicContact CD1-CD1 3.67Å; L60-I198 HydrophobicContact CD1-CG2 4.05Å; R194-I198 WeakPolarHBondContact O-CG2 3.46Å; I198-H203 HydrophobicContact CD1-CB 3.92Å; I198-L210 HydrophobicContact CB-CD2 4.02Å; I198-L210 HydrophobicContact CG2-CD1 4.31Å; I198-L210 HydrophobicContact CG2-CD2 3.83Å
199	K	95.4	Very high	97.9	Very high	155 Å²	155	62.7 Å²	62.7	67%	0.674	29%	0.287	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-142.1	163.6	-176.7	-67.4	-178.5	-174.4	175.9	0	111.4	S215	K199-S215 PolarHBondContact O-N 3.47Å
200	P	97.1	Very high	97.9	Very high	87 Å²	87	60.3 Å²	60.3	57%	0.565	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	cis	-70.2	-30	-15.9	28.6	-38.1	0	0	0	113.3	S215 T216	P200-S215 WeakPolarHBondContact CD-O 3.43Å; P200-T216 HydrophobicContact CG-CG2 3.83Å
201	D	97.4	Very high	97.8	Very high	47 Å²	47	55.6 Å²	55.6	25%	0.251	25%	0.254	S	S	.	.	S	Bend	trans	-93.6	135.2	-176.6	-70	-23	0	0	0	111.2	W208 S215 T216 N217	D201-W208 HydrophobicContact CB-CZ2 4.41Å; D201-S215 PolarHBondContact N-O 3.34Å; D201-T216 VanDerWaalsContact OD2-CA 3.23Å; D201-T216 WeakPolarHBondContact OD2-CA 3.49Å; D201-N217 PolarHBondContact OD2-N 3.33Å; D201-N217 PolarHBondContact OD2-ND2 3.26Å
202	R	96.8	Very high	97.7	Very high	203 Å²	203	57.1 Å²	57.1	77%	0.766	26%	0.261	S	S	*	.	P	Polyproline II helix	trans	-66.1	145.6	166.2	-66.6	-177.6	175.8	179.6	-1.2	110.2
203	H	97.4	Very high	97.6	Very high	27 Å²	27	61 Å²	61	13%	0.125	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-63.5	142.4	173.7	76.9	-82.3	0	0	0	110.1	L60 N97 T195 I198 W208	L60-H203 HydrophobicContact CD1-CB 4.16Å; N97-H203 PolarHBondContact OD1-NE2 3.46Å; T195-H203 WeakPolarHBondContact CG2-CE1 3.33Å; T195-H203 WeakPolarHBondContact CG2-ND1 3.25Å; I198-H203 HydrophobicContact CD1-CB 3.92Å; H203-W208 HydrophobicContact CB-CB 4Å; H203-W208 HydrophobicContact CB-CD2 3.62Å; H203-W208 HydrophobicContact CB-CE3 4.09Å; H203-W208 HydrophobicContact CB-CG 3.55Å
204	R	96.8	Very high	97.5	Very high	178 Å²	178	59 Å²	59	67%	0.672	28%	0.277	S	S	*	.			trans	-114.1	-16.1	179.8	-61.6	-176.9	-178.6	178.5	2.5	113.5	W208 N217	R204-W208 HydrophobicContact CB-CZ3 4.14Å; R204-W208 HydrophobicContact CG-CZ3 4.45Å; R204-N217 WeakPolarHBondContact CD-OD1 3.43Å; R204-N217 VanDerWaalsContact CZ-OD1 3.25Å; R204-N217 PolarHBondContact NE-OD1 2.85Å; R204-N217 PolarHBondContact NH1-OD1 3.48Å; R204-N217 PolarHBondContact NH2-ND2 3.46Å
205	F	98	Very high	97.4	Very high	95 Å²	95	56.9 Å²	56.9	42%	0.417	27%	0.269	S	S	.	.	S	Bend	trans	-157.2	174.9	179	54.1	-96.4	0	0	0	107.4	P207 W208 Q220	F205-P207 WeakPolarHBondContact CD2-O 3.49Å; F205-P207 WeakPolarHBondContact CE2-O 3.39Å; F205-W208 HydrophobicContact CD1-CE3 4.24Å; F205-W208 HydrophobicContact CD1-CZ3 4.01Å; F205-W208 HydrophobicContact CD2-CE3 4.19Å; F205-W208 HydrophobicContact CE1-CE3 4.02Å; F205-W208 AromaticContact CE1-CZ3 3.58Å; F205-W208 HydrophobicContact CE1-CZ3 3.58Å; F205-W208 AromaticContact CE2-CE3 3.95Å; F205-W208 HydrophobicContact CE2-CE3 3.95Å; F205-W208 HydrophobicContact CE2-CZ3 4.31Å; F205-W208 HydrophobicContact CG-CE3 4.33Å; F205-W208 AromaticContact CZ-CE3 3.86Å; F205-W208 HydrophobicContact CZ-CE3 3.86Å; F205-W208 AromaticContact CZ-CZ3 3.75Å; F205-W208 HydrophobicContact CZ-CZ3 3.75Å; F205-Q220 HydrophobicContact CZ-CB 3.94Å; F205-Q220 HydrophobicContact CZ-CG 4.15Å
206	V	98.7	Very high	97.3	Very high	8 Å²	8	59.4 Å²	59.4	5%	0.048	28%	0.284	C	S	.	.	S	Bend	trans	-129	149.6	165.8	-72.6	0	0	0	0	110.3	L60 E62	L60-V206 HydrophobicContact CB-CG1 4.47Å; E62-V206 HydrophobicContact CG-CG2 3.79Å
207	P	98.8	Very high	97.2	Very high	7 Å²	7	57.9 Å²	57.9	5%	0.045	28%	0.279	C	S	.	.	S	Bend	cis	-70.7	148.9	3.2	29.8	-33.6	0	0	0	112.7	L60 F71 F205 Q223	L60-P207 WeakPolarHBondContact O-CA 3.46Å; F71-P207 HydrophobicContact CB-CB 4.12Å; F71-P207 HydrophobicContact CB-CG 3.54Å; F71-P207 HydrophobicContact CD1-CB 4.1Å; F71-P207 HydrophobicContact CD1-CG 4.39Å; F71-P207 HydrophobicContact CD2-CG 4.28Å; F71-P207 HydrophobicContact CG-CB 4.03Å; F71-P207 HydrophobicContact CG-CG 3.82Å; F205-P207 WeakPolarHBondContact CD2-O 3.49Å; F205-P207 WeakPolarHBondContact CE2-O 3.39Å; P207-Q223 PolarHBondContact O-NE2 2.68Å
208	W	98.7	Very high	97.1	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	126.1	-179.9	-171.3	-83.9	0	0	0	110	L60 D201 H203 R204 F205 S215 Q220	L60-W208 HydrophobicContact CB-CB 4.19Å; L60-W208 HydrophobicContact CD1-CB 4.27Å; L60-W208 HydrophobicContact CD1-CG 4.36Å; L60-W208 HydrophobicContact CG-CB 4.45Å; L60-W208 PolarHBondContact N-O 3.42Å; L60-W208 PolarHBondContact O-N 3.26Å; D201-W208 HydrophobicContact CB-CZ2 4.41Å; H203-W208 HydrophobicContact CB-CB 4Å; H203-W208 HydrophobicContact CB-CD2 3.62Å; H203-W208 HydrophobicContact CB-CE3 4.09Å; H203-W208 HydrophobicContact CB-CG 3.55Å; R204-W208 HydrophobicContact CB-CZ3 4.14Å; R204-W208 HydrophobicContact CG-CZ3 4.45Å; F205-W208 HydrophobicContact CD1-CE3 4.24Å; F205-W208 HydrophobicContact CD1-CZ3 4.01Å; F205-W208 HydrophobicContact CD2-CE3 4.19Å; F205-W208 HydrophobicContact CE1-CE3 4.02Å; F205-W208 AromaticContact CE1-CZ3 3.58Å; F205-W208 HydrophobicContact CE1-CZ3 3.58Å; F205-W208 AromaticContact CE2-CE3 3.95Å; F205-W208 HydrophobicContact CE2-CE3 3.95Å; F205-W208 HydrophobicContact CE2-CZ3 4.31Å; F205-W208 HydrophobicContact CG-CE3 4.33Å; F205-W208 AromaticContact CZ-CE3 3.86Å; F205-W208 HydrophobicContact CZ-CE3 3.86Å; F205-W208 AromaticContact CZ-CZ3 3.75Å; F205-W208 HydrophobicContact CZ-CZ3 3.75Å; W208-S215 VanDerWaalsContact CE2-OG 3.25Å; W208-S215 WeakPolarHBondContact CZ2-OG 3.23Å; W208-S215 PolarHBondContact NE1-OG 3.2Å; W208-Q220 HydrophobicContact CD2-CG 3.93Å; W208-Q220 HydrophobicContact CE3-CG 3.73Å; W208-Q220 HydrophobicContact CH2-CG 3.6Å; W208-Q220 HydrophobicContact CZ2-CG 3.8Å; W208-Q220 HydrophobicContact CZ3-CG 3.58Å
209	I	98.7	Very high	97.1	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	145	-172.6	63.1	166.2	0	0	0	111.9	L57 T58 V59 F71 S215 Q220 T222 Q223 L226	L57-I209 HydrophobicContact CD1-CB 4.38Å; T58-I209 CarbonylContact O-C 3.52Å; T58-I209 WeakPolarHBondContact O-CA 3.49Å; V59-I209 HydrophobicContact CG2-CG2 4.45Å; F71-I209 HydrophobicContact CE1-CG2 4.3Å; F71-I209 HydrophobicContact CE2-CG2 3.98Å; F71-I209 HydrophobicContact CZ-CG2 3.55Å; I209-S215 WeakPolarHBondContact O-CB 3.45Å; I209-S215 PolarHBondContact O-OG 2.92Å; I209-Q220 PolarHBondContact O-NE2 2.95Å; I209-T222 WeakPolarHBondContact CD1-OG1 3.5Å; I209-Q223 HydrophobicContact CD1-CG 3.79Å; I209-Q223 HydrophobicContact CG1-CG 3.94Å; I209-Q223 HydrophobicContact CG2-CG 4.05Å; I209-L226 HydrophobicContact CD1-CD1 3.7Å
210	L	98.6	Very high	97.2	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	142.3	165.5	-56	68.4	0	0	0	108.3	T58 L60 I198 V214	T58-L210 HydrophobicContact CG2-CD1 4.18Å; T58-L210 PolarHBondContact N-O 2.91Å; T58-L210 PolarHBondContact O-N 3.39Å; L60-L210 HydrophobicContact CD1-CD1 4.13Å; L60-L210 HydrophobicContact CD2-CD1 4.22Å; L60-L210 HydrophobicContact CG-CD1 3.93Å; I198-L210 HydrophobicContact CB-CD2 4.02Å; I198-L210 HydrophobicContact CG2-CD1 4.31Å; I198-L210 HydrophobicContact CG2-CD2 3.83Å; L210-V214 WeakPolarHBondContact CA-O 3.38Å
211	I	97.8	Very high	97.2	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	124	173.2	-65.3	178.3	0	0	0	107.4	I55 N56 L57 D213 V214 L219 L226 F229 L230 W233	I55-I211 HydrophobicContact CG2-CG2 3.6Å; N56-I211 WeakPolarHBondContact O-CA 3.3Å; L57-I211 HydrophobicContact CD1-CG1 4.15Å; I211-D213 VanDerWaalsContact C-N 3.27Å; I211-D213 PolarHBondContact O-N 3.45Å; I211-V214 PolarHBondContact N-O 2.89Å; I211-V214 PolarHBondContact O-N 3.5Å; I211-V214 VanDerWaalsContact O-N 3.12Å; I211-L219 HydrophobicContact CB-CD2 4.28Å; I211-L219 HydrophobicContact CD1-CD1 4.22Å; I211-L219 HydrophobicContact CG1-CD2 4.33Å; I211-L226 HydrophobicContact CD1-CD1 4.1Å; I211-F229 HydrophobicContact CD1-CD1 3.65Å; I211-F229 HydrophobicContact CD1-CE1 3.56Å; I211-L230 HydrophobicContact CD1-CD2 3.77Å; I211-L230 HydrophobicContact CG1-CD2 4.27Å; I211-L230 HydrophobicContact CG2-CD2 4.49Å; I211-W233 HydrophobicContact CG2-CD2 3.85Å; I211-W233 HydrophobicContact CG2-CE3 4.23Å; I211-W233 HydrophobicContact CG2-CG 4.35Å; I211-W233 HydrophobicContact CG2-CH2 4.15Å; I211-W233 HydrophobicContact CG2-CZ2 3.78Å; I211-W233 HydrophobicContact CG2-CZ3 4.36Å
212	Q	96	Very high	97.2	Very high	59 Å²	59	49 Å²	49	28%	0.276	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.1	47.2	-169.9	-57.8	-66.1	37	0	0	112.4	K54 N56 V214 W233	K54-Q212 PolarHBondContact O-NE2 3.33Å; N56-Q212 VanDerWaalsContact N-OE1 3.09Å; N56-Q212 PolarHBondContact O-N 3.47Å; Q212-V214 PolarHBondContact O-N 3.02Å; Q212-W233 HydrophobicContact CG-CZ2 4.2Å
213	D	96.8	Very high	97.2	Very high	83 Å²	83	40.6 Å²	40.6	44%	0.444	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.1	10.3	-178.9	-69.1	-52.6	0	0	0	116.1	R194 I211	R194-D213 IonicContact CZ-OD1 3.8Å; R194-D213 IonicContact NH2-OD1 3.96Å; R194-D213 PolarHBondContact NH2-OD1 3.04Å; I211-D213 VanDerWaalsContact C-N 3.27Å; I211-D213 PolarHBondContact O-N 3.45Å
214	V	96.5	Very high	97.2	Very high	72 Å²	72	44.7 Å²	44.7	44%	0.436	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	133.2	176.2	177.6	0	0	0	0	109.7	L210 I211 Q212 L219	L210-V214 WeakPolarHBondContact CA-O 3.38Å; I211-V214 PolarHBondContact N-O 2.89Å; I211-V214 PolarHBondContact O-N 3.5Å; I211-V214 VanDerWaalsContact O-N 3.12Å; Q212-V214 PolarHBondContact O-N 3.02Å; V214-L219 WeakPolarHBondContact O-CD2 3.13Å
215	S	95.9	Very high	97.1	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	133	169.8	163.7	0	0	0	0	112.5	K199 P200 D201 W208 I209 Q220	K199-S215 PolarHBondContact O-N 3.47Å; P200-S215 WeakPolarHBondContact CD-O 3.43Å; D201-S215 PolarHBondContact N-O 3.34Å; W208-S215 VanDerWaalsContact CE2-OG 3.25Å; W208-S215 WeakPolarHBondContact CZ2-OG 3.23Å; W208-S215 PolarHBondContact NE1-OG 3.2Å; I209-S215 WeakPolarHBondContact O-CB 3.45Å; I209-S215 PolarHBondContact O-OG 2.92Å; S215-Q220 PolarHBondContact OG-NE2 3.3Å
216	T	96.6	Very high	97.1	Very high	53 Å²	53	35.4 Å²	35.4	33%	0.325	22%	0.22	S	C	.	.			trans	-122.5	161.9	169.3	65.2	0	0	0	0	110.4	P200 D201 G218 L219 Q220	P200-T216 HydrophobicContact CG-CG2 3.83Å; D201-T216 VanDerWaalsContact OD2-CA 3.23Å; D201-T216 WeakPolarHBondContact OD2-CA 3.49Å; T216-G218 PolarHBondContact O-N 3.11Å; T216-L219 WeakPolarHBondContact O-CB 3.41Å; T216-L219 PolarHBondContact O-N 2.63Å; T216-L219 VanDerWaalsContact O-N 3.11Å; T216-L219 PolarHBondContact OG1-N 3.03Å; T216-L219 VanDerWaalsContact OG1-N 3.08Å; T216-Q220 PolarHBondContact O-N 3.08Å; T216-Q220 PolarHBondContact O-NE2 3.3Å
217	N	95.3	Very high	97.1	Very high	55 Å²	55	35 Å²	35	29%	0.294	22%	0.218	S	C	.	.	H	α-helix	trans	-54.4	-38.9	170	-68.6	-71.8	0	0	0	111.6	D201 R204 Q220	D201-N217 PolarHBondContact OD2-N 3.33Å; D201-N217 PolarHBondContact OD2-ND2 3.26Å; R204-N217 WeakPolarHBondContact CD-OD1 3.43Å; R204-N217 VanDerWaalsContact CZ-OD1 3.25Å; R204-N217 PolarHBondContact NE-OD1 2.85Å; R204-N217 PolarHBondContact NH1-OD1 3.48Å; R204-N217 PolarHBondContact NH2-ND2 3.46Å; N217-Q220 PolarHBondContact O-N 3.29Å
218	G	94.8	Very high	97	Very high	56 Å²	56	36.1 Å²	36.1	58%	0.577	23%	0.227	S	C	*	.	H	α-helix	trans	-65.3	-36.5	177.4	0	0	0	0	0	113	T216 Q220 A221	T216-G218 PolarHBondContact O-N 3.11Å; G218-Q220 PolarHBondContact O-N 3.17Å; G218-A221 WeakPolarHBondContact O-CB 3.22Å; G218-A221 PolarHBondContact O-N 3.29Å
219	L	96.1	Very high	96.9	Very high	18 Å²	18	38.9 Å²	38.9	9%	0.094	24%	0.239	C	C	.	.	H	α-helix	trans	-61.5	-32.4	177.4	-171	65.9	0	0	0	112.1	I211 V214 T216 A221 T222 F229	I211-L219 HydrophobicContact CB-CD2 4.28Å; I211-L219 HydrophobicContact CD1-CD1 4.22Å; I211-L219 HydrophobicContact CG1-CD2 4.33Å; V214-L219 WeakPolarHBondContact O-CD2 3.13Å; T216-L219 WeakPolarHBondContact O-CB 3.41Å; T216-L219 PolarHBondContact O-N 2.63Å; T216-L219 VanDerWaalsContact O-N 3.11Å; T216-L219 PolarHBondContact OG1-N 3.03Å; T216-L219 VanDerWaalsContact OG1-N 3.08Å; L219-A221 PolarHBondContact O-N 3.21Å; L219-T222 HydrophobicContact CD1-CG2 4.33Å; L219-T222 WeakPolarHBondContact O-CB 3.25Å; L219-T222 WeakPolarHBondContact O-CG2 3.4Å; L219-T222 PolarHBondContact O-N 3.17Å; L219-T222 PolarHBondContact O-OG1 3.41Å; L219-F229 HydrophobicContact CD1-CE1 3.73Å; L219-F229 HydrophobicContact CD1-CZ 3.76Å
220	Q	98.1	Very high	96.9	Very high	14 Å²	14	38.9 Å²	38.9	7%	0.065	24%	0.239	C	C	.	.	H	α-helix	trans	-64.8	-24.2	-177.4	-53.4	-46.9	-54.8	0	0	113.5	F205 W208 I209 S215 T216 N217 G218 T222 Q223	F205-Q220 HydrophobicContact CZ-CB 3.94Å; F205-Q220 HydrophobicContact CZ-CG 4.15Å; W208-Q220 HydrophobicContact CD2-CG 3.93Å; W208-Q220 HydrophobicContact CE3-CG 3.73Å; W208-Q220 HydrophobicContact CH2-CG 3.6Å; W208-Q220 HydrophobicContact CZ2-CG 3.8Å; W208-Q220 HydrophobicContact CZ3-CG 3.58Å; I209-Q220 PolarHBondContact O-NE2 2.95Å; S215-Q220 PolarHBondContact OG-NE2 3.3Å; T216-Q220 PolarHBondContact O-N 3.08Å; T216-Q220 PolarHBondContact O-NE2 3.3Å; N217-Q220 PolarHBondContact O-N 3.29Å; G218-Q220 PolarHBondContact O-N 3.17Å; Q220-T222 PolarHBondContact O-N 3.03Å; Q220-T222 VanDerWaalsContact O-N 3.17Å; Q220-Q223 WeakPolarHBondContact O-CB 3.25Å; Q220-Q223 VanDerWaalsContact O-CG 3.29Å; Q220-Q223 WeakPolarHBondContact O-CG 3.32Å; Q220-Q223 PolarHBondContact O-N 3.19Å
221	A	96.8	Very high	96.8	Very high	76 Å²	76	39.7 Å²	39.7	63%	0.628	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-61.5	-23.8	174.4	0	0	0	0	0	112.8	G218 L219 Q223 T224	G218-A221 WeakPolarHBondContact O-CB 3.22Å; G218-A221 PolarHBondContact O-N 3.29Å; L219-A221 PolarHBondContact O-N 3.21Å; A221-Q223 VanDerWaalsContact C-N 3.25Å; A221-Q223 PolarHBondContact O-N 3.35Å; A221-T224 PolarHBondContact O-OG1 2.84Å
222	T	97.1	Very high	96.7	Very high	24 Å²	24	47.1 Å²	47.1	15%	0.147	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-73	-14.2	-179.4	70.2	0	0	0	0	113.5	I209 L219 Q220 T224 N225 L226 F229	I209-T222 WeakPolarHBondContact CD1-OG1 3.5Å; L219-T222 HydrophobicContact CD1-CG2 4.33Å; L219-T222 WeakPolarHBondContact O-CB 3.25Å; L219-T222 WeakPolarHBondContact O-CG2 3.4Å; L219-T222 PolarHBondContact O-N 3.17Å; L219-T222 PolarHBondContact O-OG1 3.41Å; Q220-T222 PolarHBondContact O-N 3.03Å; Q220-T222 VanDerWaalsContact O-N 3.17Å; T222-T224 PolarHBondContact O-N 2.79Å; T222-T224 VanDerWaalsContact O-N 3.08Å; T222-N225 CarbonylContact O-C 3.27Å; T222-N225 VanDerWaalsContact O-C 3.27Å; T222-N225 PolarHBondContact O-N 3.48Å; T222-L226 VanDerWaalsContact O-CA 3.25Å; T222-L226 WeakPolarHBondContact O-CA 3.48Å; T222-L226 PolarHBondContact O-N 3.35Å; T222-F229 HydrophobicContact CG2-CD1 4.27Å; T222-F229 HydrophobicContact CG2-CD2 3.47Å; T222-F229 VanDerWaalsContact CG2-CD2 3.47Å; T222-F229 HydrophobicContact CG2-CE1 4.39Å; T222-F229 HydrophobicContact CG2-CE2 3.61Å; T222-F229 HydrophobicContact CG2-CG 3.81Å; T222-F229 HydrophobicContact CG2-CZ 4.07Å
223	Q	98	Very high	96.6	Very high	27 Å²	27	47.7 Å²	47.7	13%	0.126	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-55.9	-32	-177.1	-71.4	-175.3	28.4	0	0	113.2	F71 Q75 P207 I209 Q220 A221 N225	F71-Q223 HydrophobicContact CD2-CB 4.21Å; F71-Q223 HydrophobicContact CD2-CG 4.36Å; F71-Q223 HydrophobicContact CE2-CB 4.01Å; F71-Q223 HydrophobicContact CE2-CG 3.95Å; Q75-Q223 VanDerWaalsContact CD-O 3.3Å; Q75-Q223 WeakPolarHBondContact CG-O 3.34Å; Q75-Q223 PolarHBondContact OE1-O 3.39Å; P207-Q223 PolarHBondContact O-NE2 2.68Å; I209-Q223 HydrophobicContact CD1-CG 3.79Å; I209-Q223 HydrophobicContact CG1-CG 3.94Å; I209-Q223 HydrophobicContact CG2-CG 4.05Å; Q220-Q223 WeakPolarHBondContact O-CB 3.25Å; Q220-Q223 VanDerWaalsContact O-CG 3.29Å; Q220-Q223 WeakPolarHBondContact O-CG 3.32Å; Q220-Q223 PolarHBondContact O-N 3.19Å; A221-Q223 VanDerWaalsContact C-N 3.25Å; A221-Q223 PolarHBondContact O-N 3.35Å; Q223-N225 VanDerWaalsContact C-N 3.28Å; Q223-N225 PolarHBondContact O-N 3.21Å
224	T	96.3	Very high	96.5	Very high	114 Å²	114	44.8 Å²	44.8	70%	0.699	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-68.6	-23.1	-179.3	56.3	0	0	0	0	114.1	Q75 A221 T222	Q75-T224 PolarHBondContact NE2-O 2.83Å; Q75-T224 VanDerWaalsContact NE2-O 3.09Å; A221-T224 PolarHBondContact O-OG1 2.84Å; T222-T224 PolarHBondContact O-N 2.79Å; T222-T224 VanDerWaalsContact O-N 3.08Å
225	N	95.9	Very high	96.2	Very high	77 Å²	77	44.4 Å²	44.4	41%	0.412	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-139.9	44.5	178.1	-165	8.3	0	0	0	110.6	T222 Q223 F227 A228 F229 Y245	T222-N225 CarbonylContact O-C 3.27Å; T222-N225 VanDerWaalsContact O-C 3.27Å; T222-N225 PolarHBondContact O-N 3.48Å; Q223-N225 VanDerWaalsContact C-N 3.28Å; Q223-N225 PolarHBondContact O-N 3.21Å; N225-F227 VanDerWaalsContact C-N 3.3Å; N225-F227 PolarHBondContact O-N 2.95Å; N225-A228 PolarHBondContact O-N 3.25Å; N225-A228 WeakPolarHBondContact OD1-CB 3.23Å; N225-F229 PolarHBondContact O-N 2.84Å; N225-F229 VanDerWaalsContact O-N 3.16Å; N225-Y245 PolarHBondContact OD1-OH 2.67Å
226	L	98.2	Very high	96.1	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-58	-41.7	-167.9	177.6	57	0	0	0	112.1	L57 F71 V80 I209 I211 T222 A228 F229 L230	L57-L226 HydrophobicContact CD1-CD2 4.2Å; L57-L226 HydrophobicContact CD2-CD2 4.07Å; F71-L226 HydrophobicContact CE2-CD2 3.85Å; F71-L226 HydrophobicContact CZ-CD2 3.57Å; V80-L226 HydrophobicContact CG2-CB 4.47Å; V80-L226 HydrophobicContact CG2-CD2 4.03Å; V80-L226 HydrophobicContact CG2-CG 4.09Å; I209-L226 HydrophobicContact CD1-CD1 3.7Å; I211-L226 HydrophobicContact CD1-CD1 4.1Å; T222-L226 VanDerWaalsContact O-CA 3.25Å; T222-L226 WeakPolarHBondContact O-CA 3.48Å; T222-L226 PolarHBondContact O-N 3.35Å; L226-A228 PolarHBondContact O-N 3Å; L226-F229 WeakPolarHBondContact O-CB 3.36Å; L226-F229 PolarHBondContact O-N 3.19Å; L226-L230 HydrophobicContact CD1-CD1 4.34Å; L226-L230 HydrophobicContact CD1-CG 4.19Å; L226-L230 HydrophobicContact CG-CD1 4.11Å; L226-L230 HydrophobicContact CG-CG 4.42Å; L226-L230 WeakPolarHBondContact O-CG 3.46Å; L226-L230 PolarHBondContact O-N 3.35Å
227	F	98.1	Very high	95.9	Very high	1 Å²	1	49.1 Å²	49.1	0%	0.004	28%	0.284	C	S	.	.	H	α-helix	trans	-67.4	-39.4	-177.4	-169	-108.8	0	0	0	113.1	F79 V80 F83 F87 N225 F229 L230 C231 Y245	F79-F227 HydrophobicContact CB-CB 3.73Å; F79-F227 HydrophobicContact CB-CG 4.21Å; V80-F227 HydrophobicContact CB-CD2 4.33Å; V80-F227 HydrophobicContact CG1-CD2 4.43Å; V80-F227 HydrophobicContact CG2-CB 4.16Å; V80-F227 HydrophobicContact CG2-CD2 4.27Å; F83-F227 HydrophobicContact CB-CD1 4.28Å; F83-F227 HydrophobicContact CB-CE1 3.47Å; F83-F227 VanDerWaalsContact CB-CE1 3.47Å; F83-F227 HydrophobicContact CB-CE2 3.92Å; F83-F227 HydrophobicContact CB-CZ 3.25Å; F83-F227 HydrophobicContact CD2-CE1 4.4Å; F83-F227 HydrophobicContact CG-CE1 4.19Å; F83-F227 HydrophobicContact CG-CZ 4.41Å; F87-F227 AromaticContact CE1-CE2 3.91Å; F87-F227 HydrophobicContact CE1-CE2 3.91Å; F87-F227 AromaticContact CE1-CZ 3.9Å; F87-F227 HydrophobicContact CE1-CZ 3.9Å; F87-F227 AromaticContact CZ-CE2 3.52Å; F87-F227 HydrophobicContact CZ-CE2 3.52Å; F87-F227 AromaticContact CZ-CZ 3.75Å; F87-F227 HydrophobicContact CZ-CZ 3.75Å; N225-F227 VanDerWaalsContact C-N 3.3Å; N225-F227 PolarHBondContact O-N 2.95Å; F227-F229 VanDerWaalsContact C-N 3.26Å; F227-F229 PolarHBondContact O-N 3.32Å; F227-L230 PolarHBondContact O-N 2.04Å; F227-C231 VanDerWaalsContact CE1-SG 3.5Å; F227-C231 PolarHBondContact O-N 3.2Å; F227-C231 PolarHBondContact O-SG 2.85Å; F227-C231 VanDerWaalsContact O-SG 3.37Å; F227-Y245 AromaticContact CD1-CD1 3.69Å; F227-Y245 HydrophobicContact CD1-CD1 3.69Å; F227-Y245 AromaticContact CD1-CD2 3.62Å; F227-Y245 HydrophobicContact CD1-CD2 3.62Å; F227-Y245 HydrophobicContact CD1-CE1 4.13Å; F227-Y245 HydrophobicContact CD1-CE2 4.08Å; F227-Y245 AromaticContact CD1-CG 3.4Å; F227-Y245 HydrophobicContact CD1-CG 3.4Å; F227-Y245 VanDerWaalsContact CD1-CG 3.4Å; F227-Y245 VanDerWaalsContact CE1-CB 3.41Å; F227-Y245 HydrophobicContact CE1-CD1 4.1Å; F227-Y245 HydrophobicContact CE1-CD2 4.17Å; F227-Y245 AromaticContact CE1-CG 3.65Å; F227-Y245 HydrophobicContact CE1-CG 3.65Å
228	A	97	Very high	95.8	Very high	29 Å²	29	49.6 Å²	49.6	24%	0.24	29%	0.286	C	S	.	.	H	α-helix	trans	-62.8	-38.3	173.6	0	0	0	0	0	111.3	N225 L226 C231 K232 Y245	N225-A228 PolarHBondContact O-N 3.25Å; N225-A228 WeakPolarHBondContact OD1-CB 3.23Å; L226-A228 PolarHBondContact O-N 3Å; A228-C231 PolarHBondContact O-N 3.19Å; A228-K232 PolarHBondContact O-N 3.37Å; A228-Y245 HydrophobicContact CB-CE1 3.93Å
229	F	97	Very high	95.9	Very high	58 Å²	58	47.9 Å²	47.9	25%	0.254	27%	0.265	S	S	.	.	H	α-helix	trans	-62.5	-45.2	175	-175.4	-92.7	0	0	0	111.7	I211 L219 T222 N225 L226 F227 C231 K232 W233	I211-F229 HydrophobicContact CD1-CD1 3.65Å; I211-F229 HydrophobicContact CD1-CE1 3.56Å; L219-F229 HydrophobicContact CD1-CE1 3.73Å; L219-F229 HydrophobicContact CD1-CZ 3.76Å; T222-F229 HydrophobicContact CG2-CD1 4.27Å; T222-F229 HydrophobicContact CG2-CD2 3.47Å; T222-F229 VanDerWaalsContact CG2-CD2 3.47Å; T222-F229 HydrophobicContact CG2-CE1 4.39Å; T222-F229 HydrophobicContact CG2-CE2 3.61Å; T222-F229 HydrophobicContact CG2-CG 3.81Å; T222-F229 HydrophobicContact CG2-CZ 4.07Å; N225-F229 PolarHBondContact O-N 2.84Å; N225-F229 VanDerWaalsContact O-N 3.16Å; L226-F229 WeakPolarHBondContact O-CB 3.36Å; L226-F229 PolarHBondContact O-N 3.19Å; F227-F229 VanDerWaalsContact C-N 3.26Å; F227-F229 PolarHBondContact O-N 3.32Å; F229-C231 VanDerWaalsContact C-N 3.34Å; F229-C231 PolarHBondContact O-N 3.44Å; F229-K232 PolarHBondContact O-N 3.32Å; F229-K232 VanDerWaalsContact O-N 3.17Å; F229-W233 HydrophobicContact CD1-CE3 4.5Å; F229-W233 HydrophobicContact CE1-CD2 4.35Å; F229-W233 AromaticContact CE1-CE3 3.42Å; F229-W233 HydrophobicContact CE1-CE3 3.42Å; F229-W233 VanDerWaalsContact CE1-CE3 3.42Å; F229-W233 AromaticContact CE1-CZ3 3.94Å; F229-W233 HydrophobicContact CE1-CZ3 3.94Å; F229-W233 AromaticContact CZ-CE3 3.59Å; F229-W233 HydrophobicContact CZ-CE3 3.59Å; F229-W233 AromaticContact CZ-CZ3 3.89Å; F229-W233 HydrophobicContact CZ-CZ3 3.89Å; F229-W233 WeakPolarHBondContact O-CB 3.04Å; F229-W233 PolarHBondContact O-N 3.09Å
230	L	97.9	Very high	95.9	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-62	-39.9	176.2	-67.9	170.8	0	0	0	112.4	I55 L57 V80 F87 V88 I211 L226 F227 K232 W233 H234	I55-L230 HydrophobicContact CB-CD2 4.48Å; I55-L230 HydrophobicContact CD1-CB 4.34Å; I55-L230 HydrophobicContact CD1-CD2 4.21Å; I55-L230 VanDerWaalsContact CD1-O 3.31Å; I55-L230 WeakPolarHBondContact CD1-O 3.49Å; I55-L230 HydrophobicContact CG2-CD2 3.75Å; L57-L230 HydrophobicContact CD2-CD1 4.37Å; V80-L230 HydrophobicContact CG1-CD1 3.69Å; V80-L230 HydrophobicContact CG2-CD1 4.14Å; F87-L230 HydrophobicContact CE2-CB 4.37Å; V88-L230 HydrophobicContact CG2-CD1 4.17Å; I211-L230 HydrophobicContact CD1-CD2 3.77Å; I211-L230 HydrophobicContact CG1-CD2 4.27Å; I211-L230 HydrophobicContact CG2-CD2 4.49Å; L226-L230 HydrophobicContact CD1-CD1 4.34Å; L226-L230 HydrophobicContact CD1-CG 4.19Å; L226-L230 HydrophobicContact CG-CD1 4.11Å; L226-L230 HydrophobicContact CG-CG 4.42Å; L226-L230 WeakPolarHBondContact O-CG 3.46Å; L226-L230 PolarHBondContact O-N 3.35Å; F227-L230 PolarHBondContact O-N 2.04Å; L230-K232 VanDerWaalsContact C-N 3.32Å; L230-K232 PolarHBondContact O-N 2.71Å; L230-W233 WeakPolarHBondContact O-CB 3.32Å; L230-W233 PolarHBondContact O-N 2.73Å; L230-H234 PolarHBondContact O-N 2.94Å
231	C	97.2	Very high	95.9	Very high	17 Å²	17	53.7 Å²	53.7	12%	0.115	30%	0.3	C	S	.	.	H	α-helix	trans	-63.5	-37.1	174.3	-70.9	0	0	0	0	112.9	F227 A228 F229 C242	F227-C231 VanDerWaalsContact CE1-SG 3.5Å; F227-C231 PolarHBondContact O-N 3.2Å; F227-C231 PolarHBondContact O-SG 2.85Å; F227-C231 VanDerWaalsContact O-SG 3.37Å; A228-C231 PolarHBondContact O-N 3.19Å; F229-C231 VanDerWaalsContact C-N 3.34Å; F229-C231 PolarHBondContact O-N 3.44Å; C231-C242 WeakPolarHBondContact CA-SG 3.48Å; C231-C242 HydrophobicContact CB-CB 3.75Å; C231-C242 WeakPolarHBondContact CB-SG 3.46Å; C231-C242 WeakPolarHBondContact SG-CA 3.34Å; C231-C242 WeakPolarHBondContact SG-CB 3.35Å; C231-C242 CovalentContact SG-SG 2.03Å; C231-C242 PolarHBondContact SG-SG 3.39Å
232	K	94.3	Very high	95.9	Very high	156 Å²	156	50.1 Å²	50.1	68%	0.678	27%	0.27	S	S	*	.	H	α-helix	trans	-71.7	-32.8	173.5	-176.2	178.2	177.7	-177.4	0	112.1	A228 F229 L230	A228-K232 PolarHBondContact O-N 3.37Å; F229-K232 PolarHBondContact O-N 3.32Å; F229-K232 VanDerWaalsContact O-N 3.17Å; L230-K232 VanDerWaalsContact C-N 3.32Å; L230-K232 PolarHBondContact O-N 2.71Å
233	W	93.8	Very high	95.9	Very high	72 Å²	72	53.8 Å²	53.8	27%	0.273	29%	0.286	S	S	.	.	H	α-helix	trans	-69.8	-35.6	179.6	-174.5	-74.6	0	0	0	112.5	I55 I211 Q212 F229 L230 R235	I55-W233 HydrophobicContact CD1-CB 4.12Å; I55-W233 HydrophobicContact CD1-CG 4.2Å; I211-W233 HydrophobicContact CG2-CD2 3.85Å; I211-W233 HydrophobicContact CG2-CE3 4.23Å; I211-W233 HydrophobicContact CG2-CG 4.35Å; I211-W233 HydrophobicContact CG2-CH2 4.15Å; I211-W233 HydrophobicContact CG2-CZ2 3.78Å; I211-W233 HydrophobicContact CG2-CZ3 4.36Å; Q212-W233 HydrophobicContact CG-CZ2 4.2Å; F229-W233 HydrophobicContact CD1-CE3 4.5Å; F229-W233 HydrophobicContact CE1-CD2 4.35Å; F229-W233 AromaticContact CE1-CE3 3.42Å; F229-W233 HydrophobicContact CE1-CE3 3.42Å; F229-W233 VanDerWaalsContact CE1-CE3 3.42Å; F229-W233 AromaticContact CE1-CZ3 3.94Å; F229-W233 HydrophobicContact CE1-CZ3 3.94Å; F229-W233 AromaticContact CZ-CE3 3.59Å; F229-W233 HydrophobicContact CZ-CE3 3.59Å; F229-W233 AromaticContact CZ-CZ3 3.89Å; F229-W233 HydrophobicContact CZ-CZ3 3.89Å; F229-W233 WeakPolarHBondContact O-CB 3.04Å; F229-W233 PolarHBondContact O-N 3.09Å; L230-W233 WeakPolarHBondContact O-CB 3.32Å; L230-W233 PolarHBondContact O-N 2.73Å; W233-R235 PolarHBondContact O-N 3.39Å
234	H	94.8	Very high	95.8	Very high	22 Å²	22	54.8 Å²	54.8	10%	0.102	30%	0.298	C	S	.	.			trans	-61.7	132.9	-178.6	-172	-83.3	0	0	0	111.9	I55 F87 L230 N237	I55-H234 HydrophobicContact CD1-CB 4.09Å; F87-H234 AromaticContact CD2-CD2 3.99Å; L230-H234 PolarHBondContact O-N 2.94Å; H234-N237 PolarHBondContact CE1-O 3.24Å; H234-N237 PolarHBondContact ND1-O 3.28Å
235	R	92	Very high	95.8	Very high	63 Å²	63	49.8 Å²	49.8	24%	0.238	27%	0.267	C	S	.	.	B	Isolated β-bridge	trans	-105	147.1	176.3	-65.9	-59.1	-179.1	170.4	-0.7	111.6	D29 Y46 I50 N52 W233	D29-R235 IonicContact OD1-CZ 3.87Å; D29-R235 IonicContact OD1-NH1 2.68Å; D29-R235 PolarHBondContact OD1-NH1 3.15Å; D29-R235 IonicContact OD1-NH2 3.59Å; D29-R235 PolarHBondContact OD1-NH2 2.92Å; Y46-R235 HydrophobicContact CE1-CG 4.26Å; I50-R235 HydrophobicContact CD1-CB 3.82Å; I50-R235 HydrophobicContact CD1-CG 3.3Å; I50-R235 HydrophobicContact CG1-CB 4.14Å; I50-R235 HydrophobicContact CG1-CG 3.98Å; N52-R235 PolarHBondContact N-O 3.06Å; W233-R235 PolarHBondContact O-N 3.39Å
236	G	92.1	Very high	95.6	Very high	41 Å²	41	50.2 Å²	50.2	42%	0.423	27%	0.268	S	S	.	.	S	Bend	trans	94.5	-138.9	-178.1	0	0	0	0	0	112.4	N52 L238	N52-G236 WeakPolarHBondContact OD1-CA 3.22Å; G236-L238 PolarHBondContact O-N 2.98Å
237	N	93.7	Very high	95.4	Very high	111 Å²	111	54.5 Å²	54.5	59%	0.594	29%	0.288	S	S	*	.	S	Bend	trans	-66.2	131.7	179.6	-64.1	-31.4	0	0	0	109.5	N52 H234 P239	N52-N237 PolarHBondContact ND2-ND2 3.07Å; N52-N237 PolarHBondContact OD1-N 2.93Å; H234-N237 PolarHBondContact CE1-O 3.24Å; H234-N237 PolarHBondContact ND1-O 3.28Å; N237-P239 WeakPolarHBondContact O-CD 3.25Å
238	L	93	Very high	95.2	Very high	66 Å²	66	55.9 Å²	55.9	35%	0.346	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-66.2	125	175.8	-172.4	66.7	0	0	0	109	G236 C242 L246	G236-L238 PolarHBondContact O-N 2.98Å; L238-C242 HydrophobicContact CD1-CB 3.6Å; L238-C242 HydrophobicContact CD2-CB 4.15Å; L238-C242 HydrophobicContact CG-CB 3.71Å; L238-L246 HydrophobicContact CD2-CD1 4.34Å
239	P	96.2	Very high	94.9	Very high	19 Å²	19	57.3 Å²	57.3	12%	0.123	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-61.8	145.6	-179.7	-25.8	35.8	0	0	0	112.3	F87 N237 G241 C242 H243	F87-P239 HydrophobicContact CB-CB 4.3Å; F87-P239 HydrophobicContact CB-CG 4Å; F87-P239 HydrophobicContact CD1-CB 3.37Å; F87-P239 HydrophobicContact CD1-CG 3.66Å; F87-P239 HydrophobicContact CD2-CG 4.02Å; F87-P239 HydrophobicContact CE1-CB 3.71Å; F87-P239 HydrophobicContact CE1-CG 4.04Å; F87-P239 HydrophobicContact CE2-CG 4.39Å; F87-P239 HydrophobicContact CG-CB 3.88Å; F87-P239 HydrophobicContact CG-CG 3.63Å; F87-P239 HydrophobicContact CZ-CB 4.49Å; F87-P239 HydrophobicContact CZ-CG 4.4Å; N237-P239 WeakPolarHBondContact O-CD 3.25Å; P239-G241 PolarHBondContact O-N 3.45Å; P239-G241 VanDerWaalsContact O-N 3.1Å; P239-C242 WeakPolarHBondContact O-CA 3.06Å; P239-C242 VanDerWaalsContact O-CB 3.27Å; P239-C242 WeakPolarHBondContact O-CB 3.49Å; P239-C242 PolarHBondContact O-N 3.44Å; P239-H243 PolarHBondContact O-N 3.42Å
240	D	96.8	Very high	94.6	Very high	141 Å²	141	60.2 Å²	60.2	75%	0.754	31%	0.311	S	S	*	.	H	α-helix	trans	-53.8	-36	179.2	-70.6	-21.2	0	0	0	112.9	C242 H243 A244	D240-C242 VanDerWaalsContact C-N 3.28Å; D240-C242 PolarHBondContact O-N 3.4Å; D240-H243 WeakPolarHBondContact O-CB 3.02Å; D240-H243 PolarHBondContact O-N 3.11Å; D240-A244 PolarHBondContact O-N 3.21Å
241	G	97	Very high	94.3	Very high	14 Å²	14	65.7 Å²	65.7	14%	0.144	34%	0.337	C	S	.	.	H	α-helix	trans	-58.2	-37.3	173.9	0	0	0	0	0	114.2	F83 P239 A244 Y245	F83-G241 WeakPolarHBondContact O-CA 3.42Å; P239-G241 PolarHBondContact O-N 3.45Å; P239-G241 VanDerWaalsContact O-N 3.1Å; G241-A244 PolarHBondContact O-N 3.37Å; G241-Y245 WeakPolarHBondContact O-CB 3.41Å; G241-Y245 PolarHBondContact O-N 3.3Å
242	C	97.5	Very high	93.7	Very high	0 Å²	0	70.5 Å²	70.5	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-69.6	-40.9	175.4	-68.2	0	0	0	0	111.5	F87 C231 L238 P239 D240 Y245 L246	F87-C242 WeakPolarHBondContact CZ-SG 3.43Å; C231-C242 WeakPolarHBondContact CA-SG 3.48Å; C231-C242 HydrophobicContact CB-CB 3.75Å; C231-C242 WeakPolarHBondContact CB-SG 3.46Å; C231-C242 WeakPolarHBondContact SG-CA 3.34Å; C231-C242 WeakPolarHBondContact SG-CB 3.35Å; C231-C242 CovalentContact SG-SG 2.03Å; C231-C242 PolarHBondContact SG-SG 3.39Å; L238-C242 HydrophobicContact CD1-CB 3.6Å; L238-C242 HydrophobicContact CD2-CB 4.15Å; L238-C242 HydrophobicContact CG-CB 3.71Å; P239-C242 WeakPolarHBondContact O-CA 3.06Å; P239-C242 VanDerWaalsContact O-CB 3.27Å; P239-C242 WeakPolarHBondContact O-CB 3.49Å; P239-C242 PolarHBondContact O-N 3.44Å; D240-C242 VanDerWaalsContact C-N 3.28Å; D240-C242 PolarHBondContact O-N 3.4Å; C242-Y245 PolarHBondContact O-N 2.99Å; C242-L246 WeakPolarHBondContact O-CG 3.24Å; C242-L246 PolarHBondContact O-N 3.29Å
243	H	96.2	Very high	93.1	Very high	102 Å²	102	69.7 Å²	69.7	47%	0.472	35%	0.354	S	S	.	.	H	α-helix	trans	-58.9	-48.2	171.8	-73.6	-71.5	0	0	0	111.7	P239 D240 Y245 L246 E247	P239-H243 PolarHBondContact O-N 3.42Å; D240-H243 WeakPolarHBondContact O-CB 3.02Å; D240-H243 PolarHBondContact O-N 3.11Å; H243-Y245 VanDerWaalsContact C-N 3.31Å; H243-Y245 PolarHBondContact O-N 2.87Å; H243-L246 PolarHBondContact O-N 2.92Å; H243-E247 PolarHBondContact O-N 2.9Å
244	A	96.7	Very high	92.5	Very high	47 Å²	47	70.9 Å²	70.9	39%	0.388	37%	0.372	S	S	.	.	H	α-helix	trans	-61.2	-38.4	178.7	0	0	0	0	0	112.7	F83 D240 G241 M248	F83-A244 HydrophobicContact CD1-CB 4.04Å; F83-A244 HydrophobicContact CE1-CB 4.19Å; D240-A244 PolarHBondContact O-N 3.21Å; G241-A244 PolarHBondContact O-N 3.37Å; A244-M248 PolarHBondContact O-N 3.3Å
245	Y	95.9	Very high	91.6	Very high	10 Å²	10	73.9 Å²	73.9	4%	0.039	40%	0.401	C	S	.	.	H	α-helix	trans	-66.9	-44.7	175.9	175.1	-105.6	0	0	0	113	F79 F83 N225 F227 A228 G241 C242 H243 E247 M248 L249	F79-Y245 HydrophobicContact CB-CE2 4.49Å; F79-Y245 HydrophobicContact CD1-CD2 4.12Å; F79-Y245 AromaticContact CD1-CE2 3.67Å; F79-Y245 HydrophobicContact CD1-CE2 3.67Å; F79-Y245 HydrophobicContact CE1-CE2 4.08Å; F79-Y245 HydrophobicContact CG-CE2 4.15Å; F83-Y245 HydrophobicContact CD2-CD2 4.09Å; F83-Y245 HydrophobicContact CE2-CD2 4.13Å; N225-Y245 PolarHBondContact OD1-OH 2.67Å; F227-Y245 AromaticContact CD1-CD1 3.69Å; F227-Y245 HydrophobicContact CD1-CD1 3.69Å; F227-Y245 AromaticContact CD1-CD2 3.62Å; F227-Y245 HydrophobicContact CD1-CD2 3.62Å; F227-Y245 HydrophobicContact CD1-CE1 4.13Å; F227-Y245 HydrophobicContact CD1-CE2 4.08Å; F227-Y245 AromaticContact CD1-CG 3.4Å; F227-Y245 HydrophobicContact CD1-CG 3.4Å; F227-Y245 VanDerWaalsContact CD1-CG 3.4Å; F227-Y245 VanDerWaalsContact CE1-CB 3.41Å; F227-Y245 HydrophobicContact CE1-CD1 4.1Å; F227-Y245 HydrophobicContact CE1-CD2 4.17Å; F227-Y245 AromaticContact CE1-CG 3.65Å; F227-Y245 HydrophobicContact CE1-CG 3.65Å; A228-Y245 HydrophobicContact CB-CE1 3.93Å; G241-Y245 WeakPolarHBondContact O-CB 3.41Å; G241-Y245 PolarHBondContact O-N 3.3Å; C242-Y245 PolarHBondContact O-N 2.99Å; H243-Y245 VanDerWaalsContact C-N 3.31Å; H243-Y245 PolarHBondContact O-N 2.87Å; Y245-E247 VanDerWaalsContact C-N 3.28Å; Y245-E247 PolarHBondContact O-N 3.07Å; Y245-M248 HydrophobicContact CD2-CE 3.61Å; Y245-M248 HydrophobicContact CE2-CE 3.66Å; Y245-M248 WeakPolarHBondContact O-CB 3.35Å; Y245-M248 PolarHBondContact O-N 2.05Å; Y245-L249 HydrophobicContact CD1-CD1 4.03Å; Y245-L249 HydrophobicContact CD1-CG 4.49Å; Y245-L249 HydrophobicContact CE1-CD1 3.44Å; Y245-L249 VanDerWaalsContact CE1-CD1 3.44Å; Y245-L249 HydrophobicContact CE1-CG 4.13Å; Y245-L249 HydrophobicContact CE2-CD1 4.45Å; Y245-L249 HydrophobicContact CE2-CD2 4.39Å; Y245-L249 HydrophobicContact CE2-CG 4.35Å; Y245-L249 WeakPolarHBondContact O-CG 3.43Å; Y245-L249 PolarHBondContact O-N 3.47Å
246	L	92.9	Very high	90.9	Very high	86 Å²	86	75 Å²	75	45%	0.45	42%	0.424	S	S	.	.	H	α-helix	trans	-60.8	-40.1	176.4	-70.5	173.6	0	0	0	111.4	L238 C242 H243 L249 K250	L238-L246 HydrophobicContact CD2-CD1 4.34Å; C242-L246 WeakPolarHBondContact O-CG 3.24Å; C242-L246 PolarHBondContact O-N 3.29Å; H243-L246 PolarHBondContact O-N 2.92Å; L246-L249 PolarHBondContact O-N 3.41Å; L246-K250 WeakPolarHBondContact O-CG 3.2Å; L246-K250 PolarHBondContact O-N 2.85Å; L246-K250 VanDerWaalsContact O-N 3.09Å
247	E	94	Very high	89.6	Confident	90 Å²	90	81.8 Å²	81.8	42%	0.421	46%	0.456	S	S	.	.	H	α-helix	trans	-65	-43.7	176.5	-172.9	53.6	-148.6	0	0	111.9	H243 Y245 L249 K250 Q251	H243-E247 PolarHBondContact O-N 2.9Å; Y245-E247 VanDerWaalsContact C-N 3.28Å; Y245-E247 PolarHBondContact O-N 3.07Å; E247-L249 VanDerWaalsContact C-N 3.3Å; E247-L249 PolarHBondContact O-N 2.68Å; E247-K250 PolarHBondContact O-N 2.82Å; E247-Q251 WeakPolarHBondContact O-CG 3.38Å; E247-Q251 PolarHBondContact O-N 3.42Å; E247-Q251 PolarHBondContact OE1-NE2 2.72Å
248	M	93.7	Very high	89.4	Confident	29 Å²	29	80.3 Å²	80.3	14%	0.143	45%	0.45	C	S	.	.	H	α-helix	trans	-58.4	-40.7	173.3	180	-147.7	59.3	0	0	112	F79 F83 A244 Y245 Q251 K252	F79-M248 HydrophobicContact CD1-CE 4.36Å; F79-M248 HydrophobicContact CE1-CE 3.9Å; F79-M248 HydrophobicContact CE1-SD 4.3Å; F83-M248 HydrophobicContact CE2-SD 4.24Å; F83-M248 HydrophobicContact CZ-SD 4.05Å; A244-M248 PolarHBondContact O-N 3.3Å; Y245-M248 HydrophobicContact CD2-CE 3.61Å; Y245-M248 HydrophobicContact CE2-CE 3.66Å; Y245-M248 WeakPolarHBondContact O-CB 3.35Å; Y245-M248 PolarHBondContact O-N 2.05Å; M248-Q251 PolarHBondContact O-N 3.02Å; M248-K252 WeakPolarHBondContact O-CG 3.45Å; M248-K252 PolarHBondContact O-N 2.97Å; M248-K252 VanDerWaalsContact O-N 3.16Å
249	L	91	Very high	89.2	Confident	59 Å²	59	81.1 Å²	81.1	31%	0.309	46%	0.455	S	S	.	.	H	α-helix	trans	-64.5	-43.2	177.9	-71.5	-179.1	0	0	0	112.1	Y245 L246 E247 Q251 K252 Q253	Y245-L249 HydrophobicContact CD1-CD1 4.03Å; Y245-L249 HydrophobicContact CD1-CG 4.49Å; Y245-L249 HydrophobicContact CE1-CD1 3.44Å; Y245-L249 VanDerWaalsContact CE1-CD1 3.44Å; Y245-L249 HydrophobicContact CE1-CG 4.13Å; Y245-L249 HydrophobicContact CE2-CD1 4.45Å; Y245-L249 HydrophobicContact CE2-CD2 4.39Å; Y245-L249 HydrophobicContact CE2-CG 4.35Å; Y245-L249 WeakPolarHBondContact O-CG 3.43Å; Y245-L249 PolarHBondContact O-N 3.47Å; L246-L249 PolarHBondContact O-N 3.41Å; E247-L249 VanDerWaalsContact C-N 3.3Å; E247-L249 PolarHBondContact O-N 2.68Å; L249-Q251 PolarHBondContact O-N 3.34Å; L249-K252 PolarHBondContact O-N 2.8Å; L249-Q253 WeakPolarHBondContact O-CG 3.33Å; L249-Q253 PolarHBondContact O-N 2.79Å; L249-Q253 VanDerWaalsContact O-N 3.1Å
250	K	90.4	Very high	88.8	Confident	120 Å²	120	84.5 Å²	84.5	52%	0.522	47%	0.474	S	S	.	.	H	α-helix	trans	-59.6	-46.2	176	-70.2	173.9	-175.5	175	0	111.6	L246 E247 K252 Q253 C254	L246-K250 WeakPolarHBondContact O-CG 3.2Å; L246-K250 PolarHBondContact O-N 2.85Å; L246-K250 VanDerWaalsContact O-N 3.09Å; E247-K250 PolarHBondContact O-N 2.82Å; K250-K252 VanDerWaalsContact C-N 3.32Å; K250-K252 PolarHBondContact O-N 2.79Å; K250-Q253 WeakPolarHBondContact O-CB 3.04Å; K250-Q253 PolarHBondContact O-N 2.83Å; K250-Q253 VanDerWaalsContact O-N 3.15Å; K250-C254 PolarHBondContact O-N 2.86Å; K250-C254 PolarHBondContact O-SG 3.07Å; K250-C254 VanDerWaalsContact O-SG 3.38Å
251	Q	90.3	Very high	88.4	Confident	115 Å²	115	81.2 Å²	81.2	54%	0.537	46%	0.457	S	S	.	.	H	α-helix	trans	-61.2	-39.4	179.5	-69.8	172.5	7	0	0	112.5	E247 M248 L249 C254 A255	E247-Q251 WeakPolarHBondContact O-CG 3.38Å; E247-Q251 PolarHBondContact O-N 3.42Å; E247-Q251 PolarHBondContact OE1-NE2 2.72Å; M248-Q251 PolarHBondContact O-N 3.02Å; L249-Q251 PolarHBondContact O-N 3.34Å; Q251-C254 PolarHBondContact O-N 2.93Å; Q251-A255 WeakPolarHBondContact O-CB 3.45Å; Q251-A255 PolarHBondContact O-N 3.01Å
252	K	85.1	Confident	87.8	Confident	118 Å²	118	85.4 Å²	85.4	51%	0.513	48%	0.477	S	S	.	.	H	α-helix	trans	-66.1	-37.4	175.4	-74.8	-177.7	178.4	-179.7	0	112.9	M248 L249 K250 A256	M248-K252 WeakPolarHBondContact O-CG 3.45Å; M248-K252 PolarHBondContact O-N 2.97Å; M248-K252 VanDerWaalsContact O-N 3.16Å; L249-K252 PolarHBondContact O-N 2.8Å; K250-K252 VanDerWaalsContact C-N 3.32Å; K250-K252 PolarHBondContact O-N 2.79Å; K252-A256 PolarHBondContact O-N 2.85Å
253	Q	82	Confident	87.2	Confident	139 Å²	139	91.1 Å²	91.1	65%	0.65	51%	0.508	S	S	*	.	H	α-helix	trans	-66	-44.1	175.5	-72.3	175.3	-18	0	0	111.1	L249 K250 A255 A256	L249-Q253 WeakPolarHBondContact O-CG 3.33Å; L249-Q253 PolarHBondContact O-N 2.79Å; L249-Q253 VanDerWaalsContact O-N 3.1Å; K250-Q253 WeakPolarHBondContact O-CB 3.04Å; K250-Q253 PolarHBondContact O-N 2.83Å; K250-Q253 VanDerWaalsContact O-N 3.15Å; Q253-A255 VanDerWaalsContact C-N 3.33Å; Q253-A255 PolarHBondContact O-N 3.05Å; Q253-A256 PolarHBondContact O-N 3.26Å
254	C	81.7	Confident	86.5	Confident	96 Å²	96	90.3 Å²	90.3	65%	0.649	51%	0.511	S	S	*	.	H	α-helix	trans	-65.9	-33.1	177	-64.7	0	0	0	0	113.1	K250 Q251 A256	K250-C254 PolarHBondContact O-N 2.86Å; K250-C254 PolarHBondContact O-SG 3.07Å; K250-C254 VanDerWaalsContact O-SG 3.38Å; Q251-C254 PolarHBondContact O-N 2.93Å; C254-A256 VanDerWaalsContact C-N 3.27Å; C254-A256 PolarHBondContact O-N 3.1Å
255	A	76.4	Confident	85.8	Confident	85 Å²	85	93.6 Å²	93.6	70%	0.702	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-10.8	177.6	0	0	0	0	0	114.2	Q251 Q253	Q251-A255 WeakPolarHBondContact O-CB 3.45Å; Q251-A255 PolarHBondContact O-N 3.01Å; Q253-A255 VanDerWaalsContact C-N 3.33Å; Q253-A255 PolarHBondContact O-N 3.05Å
256	A	75.6	Confident	84.9	Confident	88 Å²	88	100.6 Å²	100.6	73%	0.727	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.6	-3.7	178.5	0	0	0	0	0	113.5	K252 Q253 C254	K252-A256 PolarHBondContact O-N 2.85Å; Q253-A256 PolarHBondContact O-N 3.26Å; C254-A256 VanDerWaalsContact C-N 3.27Å; C254-A256 PolarHBondContact O-N 3.1Å
257	V	66.1	Low	84.2	Confident	182 Å²	182	101.9 Å²	101.9	100%	1.103	57%	0.57	S	S	*	*			trans	-97.6	0	175.5	-176.7	0	0	0	0	109.3

Retrieved 257 of 257 residues in 129.2 ms (Link to these results)

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