GPX5_MACFA Loading...

Epididymal secretory glutathione peroxidase

Protects cells and enzymes from oxidative damage, by catalyzing the reduction of hydrogen peroxide, lipid peroxides and organic hydroperoxide, by glutathione. May constitute a glutathione peroxidase-like protective system against peroxide damage in sperm membrane lipids.

AlphaFold DB , UniProt , Accession P28714, Species MACFA (Macaca fascicularis, Crab-eating macaque), Gene GPX5, Length 221 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	43.7	Very low	52.3	Low	237 Å²	237	167.7 Å²	167.7	100%	1.167	86%	0.862	S	S	*	*				0	130.8	0	-81.6	176.3	137.9	0	0	108.3
2	T	47.5	Very low	53	Low	143 Å²	143	163.1 Å²	163.1	88%	0.877	85%	0.85	S	S	*	*			trans	59.7	92.6	169	46.3	0	0	0	0	119.7
3	T	41.9	Very low	53.3	Low	138 Å²	138	162.6 Å²	162.6	85%	0.847	85%	0.848	S	S	*	*			trans	-74.9	129.3	147.9	17	0	0	0	0	109.7
4	Q	50.2	Low	53.6	Low	193 Å²	193	163 Å²	163	90%	0.902	85%	0.85	S	S	*	*			trans	-108.9	122.2	161.5	-86.8	-154	-14	0	0	109.6
5	L	49.4	Very low	54	Low	166 Å²	166	161.9 Å²	161.9	87%	0.869	85%	0.845	S	S	*	*	P	Polyproline II helix	trans	-72.4	131.4	172.1	-87.8	94.1	0	0	0	110.4
6	R	56.4	Low	54.4	Low	240 Å²	240	156.8 Å²	156.8	91%	0.906	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-79.4	125.7	163.7	-88.5	-178.2	168.5	-179.2	-3.4	109.7
7	V	57.7	Low	54.3	Low	118 Å²	118	154.2 Å²	154.2	72%	0.715	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-73.2	124.9	169.4	175.5	0	0	0	0	108.8
8	V	63.2	Low	54.3	Low	123 Å²	123	156.1 Å²	156.1	75%	0.745	83%	0.829	S	S	*	*			trans	-94.9	114	171.1	175.8	0	0	0	0	107.5	L10	V8-L10 PolarHBondContact O-N 3.43Å
9	H	54.2	Low	54.4	Low	168 Å²	168	154.4 Å²	154.4	78%	0.778	83%	0.825	S	S	*	*			trans	-78.9	111.5	170	-75.4	-70.1	0	0	0	109.4	L11	H9-L11 PolarHBondContact O-N 3.5Å
10	L	55.5	Low	53.9	Low	164 Å²	164	155.7 Å²	155.7	86%	0.859	83%	0.826	S	S	*	*			trans	-75.4	114.6	165.2	-84.7	129.1	0	0	0	109	V8	V8-L10 PolarHBondContact O-N 3.43Å
11	L	55.4	Low	53.6	Low	155 Å²	155	154.2 Å²	154.2	81%	0.812	82%	0.823	S	S	*	*			trans	-82.4	126.4	165	-126.8	86.3	0	0	0	108.2	H9 L13	H9-L11 PolarHBondContact O-N 3.5Å; L11-L13 PolarHBondContact O-N 3.2Å
12	P	61	Low	54	Low	112 Å²	112	147.7 Å²	147.7	73%	0.727	80%	0.8	S	S	*	*			trans	-76.9	118.8	172.9	26.5	-23.7	0	0	0	109.6	L14	P12-L14 PolarHBondContact O-N 3.4Å
13	L	56.4	Low	54.3	Low	157 Å²	157	147 Å²	147	82%	0.822	80%	0.798	S	S	*	*			trans	-67.6	107.4	167.4	-115.8	88.7	0	0	0	108.6	L11 L15	L11-L13 PolarHBondContact O-N 3.2Å; L13-L15 PolarHBondContact O-N 3.3Å
14	L	57.8	Low	55.1	Low	168 Å²	168	148.2 Å²	148.2	88%	0.88	79%	0.792	S	S	*	*			trans	-74.4	104.9	164.6	-90.8	146.4	0	0	0	108.4	P12 A16	P12-L14 PolarHBondContact O-N 3.4Å; L14-A16 PolarHBondContact O-N 3.28Å
15	L	60.2	Low	55.4	Low	146 Å²	146	147.5 Å²	147.5	76%	0.764	79%	0.789	S	S	*	*			trans	-72.7	105.8	167.7	-119.5	83.7	0	0	0	108.5	L13 C17	L13-L15 PolarHBondContact O-N 3.3Å; L15-C17 PolarHBondContact O-N 3.26Å
16	A	59.8	Low	56.3	Low	81 Å²	81	141.1 Å²	141.1	67%	0.669	76%	0.755	S	S	*	*			trans	-74.6	106.4	167	0	0	0	0	0	109	L14 F18	L14-A16 PolarHBondContact O-N 3.28Å; A16-F18 PolarHBondContact O-N 3.05Å
17	C	52.5	Low	57.5	Low	112 Å²	112	132.7 Å²	132.7	76%	0.757	73%	0.73	S	S	*	*			trans	-67.5	99.6	168.6	-75.1	0	0	0	0	109.5	L15 V19	L15-C17 PolarHBondContact O-N 3.26Å; C17-V19 PolarHBondContact O-N 3.19Å
18	F	55	Low	59	Low	188 Å²	188	130.7 Å²	130.7	83%	0.825	71%	0.713	S	S	*	*			trans	-70.4	103.9	161.9	-88.7	-89.1	0	0	0	108.7	A16 Q20	A16-F18 PolarHBondContact O-N 3.05Å; F18-Q20 PolarHBondContact O-N 3.08Å; F18-Q20 VanDerWaalsContact O-N 3.08Å
19	V	55.1	Low	60.5	Low	124 Å²	124	128.1 Å²	128.1	75%	0.752	69%	0.692	S	S	*	*			trans	-72.1	98	165.2	-179.2	0	0	0	0	107	C17 T21	C17-V19 PolarHBondContact O-N 3.19Å; V19-T21 PolarHBondContact O-N 3.1Å; V19-T21 VanDerWaalsContact O-N 3.1Å
20	Q	44.7	Very low	62.6	Low	181 Å²	181	122.5 Å²	122.5	85%	0.846	67%	0.667	S	S	*	*			trans	-68.5	102.1	167.5	-76.9	-178.9	-58	0	0	108.4	F18 S22	F18-Q20 PolarHBondContact O-N 3.08Å; F18-Q20 VanDerWaalsContact O-N 3.08Å; Q20-S22 PolarHBondContact O-N 3.16Å; Q20-S22 VanDerWaalsContact O-N 3.16Å
21	T	48.7	Very low	64.5	Low	124 Å²	124	119.9 Å²	119.9	76%	0.761	65%	0.654	S	S	*	*			trans	-72.3	102.6	165.2	52.7	0	0	0	0	108.1	V19	V19-T21 PolarHBondContact O-N 3.1Å; V19-T21 VanDerWaalsContact O-N 3.1Å
22	S	51.9	Low	66.5	Low	100 Å²	100	113.1 Å²	113.1	70%	0.699	62%	0.619	S	S	*	*	P	Polyproline II helix	trans	-54.9	134.8	168.6	-62.9	0	0	0	0	109.4	Q20 K24	Q20-S22 PolarHBondContact O-N 3.16Å; Q20-S22 VanDerWaalsContact O-N 3.16Å; S22-K24 PolarHBondContact O-N 3.08Å
23	P	53.9	Low	68.2	Low	128 Å²	128	111.4 Å²	111.4	83%	0.831	60%	0.601	S	S	*	*	P	Polyproline II helix	trans	-57.3	117.5	175.2	-11.9	21.4	0	0	0	108.4	Q25	P23-Q25 PolarHBondContact O-N 3.04Å; P23-Q25 VanDerWaalsContact O-N 3.08Å
24	K	57.4	Low	69.7	Low	164 Å²	164	114 Å²	114	71%	0.713	61%	0.606	S	S	*	*	P	Polyproline II helix	trans	-57.3	119	175.2	-83.9	-175.1	177.5	179.5	0	108.3	S22 E161	S22-K24 PolarHBondContact O-N 3.08Å; K24-E161 HydrophobicContact CB-CG 4.06Å; K24-E161 HydrophobicContact CD-CG 4.37Å
25	Q	57.6	Low	71.1	Confident	179 Å²	179	112.1 Å²	112.1	84%	0.836	60%	0.597	S	S	*	*	P	Polyproline II helix	trans	-67.7	137.4	-174.8	-172.6	170.9	-7.8	0	0	110.5	P23 T27	P23-Q25 PolarHBondContact O-N 3.04Å; P23-Q25 VanDerWaalsContact O-N 3.08Å; Q25-T27 PolarHBondContact O-N 3.01Å
26	E	67.7	Low	72.2	Confident	32 Å²	32	107.7 Å²	107.7	15%	0.15	57%	0.572	C	S	.	*	P	Polyproline II helix	trans	-63.3	127.4	173.8	-174.3	169	129	0	0	110.2	M28 P159 S160 S199 R201	E26-M28 HydrophobicContact CB-CE 4.18Å; E26-M28 HydrophobicContact CG-CE 3.68Å; E26-M28 WeakPolarHBondContact OE1-CE 3.26Å; E26-P159 WeakPolarHBondContact CG-O 3.41Å; E26-S160 WeakPolarHBondContact OE2-CB 3.48Å; E26-S160 PolarHBondContact OE2-OG 3.37Å; E26-S199 WeakPolarHBondContact OE1-CB 3.35Å; E26-S199 PolarHBondContact OE1-OG 3.49Å; E26-R201 VanDerWaalsContact CB-NH2 3.35Å; E26-R201 VanDerWaalsContact CD-NE 3.26Å; E26-R201 IonicContact OE1-CZ 2.9Å; E26-R201 IonicContact OE1-NE 3.81Å; E26-R201 PolarHBondContact OE1-NE 3.11Å; E26-R201 IonicContact OE1-NH2 3.69Å; E26-R201 PolarHBondContact OE1-NH2 3.44Å; E26-R201 IonicContact OE2-CZ 2.64Å; E26-R201 IonicContact OE2-NE 2.66Å; E26-R201 PolarHBondContact OE2-NE 3.06Å; E26-R201 IonicContact OE2-NH2 3.79Å; E26-R201 PolarHBondContact OE2-NH2 3.05Å
27	T	81.5	Confident	73.3	Confident	62 Å²	62	113.4 Å²	113.4	38%	0.38	58%	0.582	S	S	.	*	P	Polyproline II helix	trans	-86	135.5	171.6	53.2	0	0	0	0	108.6	Q25 K29 M30 P159	Q25-T27 PolarHBondContact O-N 3.01Å; T27-K29 PolarHBondContact O-N 3.48Å; T27-M30 HydrophobicContact CG2-SD 4.33Å; T27-M30 PolarHBondContact OG1-SD 2.81Å; T27-P159 PolarHBondContact N-O 3.07Å; T27-P159 WeakPolarHBondContact O-CB 3.09Å; T27-P159 PolarHBondContact OG1-O 3.39Å; T27-P159 VanDerWaalsContact OG1-O 3.07Å
28	M	89.7	Confident	75.3	Confident	76 Å²	76	109 Å²	109	37%	0.374	56%	0.555	S	S	.	*	S	Bend	trans	-73.9	-20.2	179.8	-63.9	-65.4	90.4	0	0	112.6	E26 W198 S199 R201 A202	E26-M28 HydrophobicContact CB-CE 4.18Å; E26-M28 HydrophobicContact CG-CE 3.68Å; E26-M28 WeakPolarHBondContact OE1-CE 3.26Å; M28-W198 CarbonylContact O-C 3.57Å; M28-W198 VanDerWaalsContact O-CA 3.28Å; M28-W198 WeakPolarHBondContact O-CA 3.38Å; M28-W198 WeakPolarHBondContact O-CB 3.44Å; M28-S199 PolarHBondContact O-N 2.91Å; M28-R201 HydrophobicContact CE-CB 4.13Å; M28-R201 HydrophobicContact SD-CB 3.94Å; M28-A202 HydrophobicContact CB-CB 4.37Å
29	K	95.5	Very high	77.3	Confident	69 Å²	69	101.6 Å²	101.6	30%	0.3	53%	0.526	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	145	-176	-176.2	-177.8	70.2	-178.8	0	110.9	T27 M196 R197 W198 D210	T27-K29 PolarHBondContact O-N 3.48Å; K29-M196 HydrophobicContact CD-CB 4.45Å; K29-M196 HydrophobicContact CD-SD 3.81Å; K29-M196 HydrophobicContact CG-CB 4.38Å; K29-R197 CarbonylContact C-O 3.57Å; K29-R197 WeakPolarHBondContact CA-O 3.42Å; K29-W198 HydrophobicContact CB-CG 4.44Å; K29-W198 HydrophobicContact CG-CG 4.38Å; K29-D210 HydrophobicContact CD-CB 4.34Å; K29-D210 WeakPolarHBondContact CD-OD2 3.4Å; K29-D210 IonicContact NZ-OD1 3.05Å; K29-D210 PolarHBondContact NZ-OD1 3.12Å; K29-D210 IonicContact NZ-OD2 3.94Å
30	M	96.8	Very high	79.4	Confident	50 Å²	50	95.7 Å²	95.7	25%	0.246	49%	0.49	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	138.1	168.6	-58.5	-57.6	-75.7	0	0	110	T27 P157 P159 M196 R197	T27-M30 HydrophobicContact CG2-SD 4.33Å; T27-M30 PolarHBondContact OG1-SD 2.81Å; M30-P157 HydrophobicContact CB-CB 4.17Å; M30-P157 HydrophobicContact CE-CB 3.54Å; M30-P157 HydrophobicContact CE-CG 4.17Å; M30-P157 HydrophobicContact CG-CB 4.22Å; M30-P159 HydrophobicContact CG-CB 4.17Å; M30-M196 CarbonylContact O-C 3.55Å; M30-M196 VanDerWaalsContact O-CA 3.28Å; M30-M196 WeakPolarHBondContact O-CA 3.4Å; M30-M196 WeakPolarHBondContact O-CB 3.41Å; M30-R197 PolarHBondContact N-O 3.42Å; M30-R197 PolarHBondContact O-N 3.44Å
31	D	97	Very high	81.9	Confident	109 Å²	109	89 Å²	89	58%	0.583	46%	0.457	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.1	139.4	168.2	-63.2	-29.3	0	0	0	109.4	P157	D31-P157 VanDerWaalsContact O-CD 3.26Å; D31-P157 WeakPolarHBondContact O-CD 3.47Å
32	C	97.5	Very high	84.3	Confident	13 Å²	13	89 Å²	89	9%	0.088	45%	0.452	C	S	.	.	P	Polyproline II helix	trans	-76.6	164.5	178.6	-59.5	0	0	0	0	111.5	K34 S155 C156 P194 V195 M196	C32-K34 PolarHBondContact O-N 2.76Å; C32-S155 WeakPolarHBondContact CA-O 3.45Å; C32-S155 VanDerWaalsContact CB-O 3.25Å; C32-S155 WeakPolarHBondContact CB-O 3.5Å; C32-C156 HydrophobicContact CB-CB 3.92Å; C32-C156 WeakPolarHBondContact CB-SG 3.39Å; C32-C156 WeakPolarHBondContact SG-CB 3.09Å; C32-C156 CovalentContact SG-SG 2.03Å; C32-C156 PolarHBondContact SG-SG 2.82Å; C32-P194 HydrophobicContact CB-CB 4.22Å; C32-P194 WeakPolarHBondContact CB-O 3.49Å; C32-V195 WeakPolarHBondContact CB-O 3.48Å; C32-V195 PolarHBondContact N-O 2.84Å; C32-M196 VanDerWaalsContact SG-C 3.59Å; C32-M196 WeakPolarHBondContact SG-CA 3.12Å; C32-M196 PolarHBondContact SG-N 3.03Å
33	H	95.8	Very high	86.5	Confident	76 Å²	76	86.9 Å²	86.9	35%	0.352	43%	0.429	S	S	.	.	P	Polyproline II helix	trans	-65.1	131.7	179.1	-57.3	-55	0	0	0	110.4	D35 H154 S155	H33-D35 VanDerWaalsContact C-N 3.27Å; H33-D35 PolarHBondContact O-N 2.98Å; H33-H154 PolarHBondContact CD2-O 2.83Å; H33-S155 VanDerWaalsContact CD2-C 3.45Å; H33-S155 PolarHBondContact CD2-O 3.23Å; H33-S155 PolarHBondContact N-O 3.1Å
34	K	88.4	Confident	88.6	Confident	212 Å²	212	85.8 Å²	85.8	92%	0.922	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-16.1	-174.3	-67.6	-173.9	178.2	-179.5	0	113.7	C32	C32-K34 PolarHBondContact O-N 2.76Å
35	D	85.7	Confident	90.5	Very high	129 Å²	129	78.4 Å²	78.4	69%	0.69	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108	15.5	-172.7	59.5	-43.9	0	0	0	113.2	H33 K37	H33-D35 VanDerWaalsContact C-N 3.27Å; H33-D35 PolarHBondContact O-N 2.98Å; D35-K37 PolarHBondContact O-N 3.38Å
36	E	84.9	Confident	92.5	Very high	53 Å²	53	71.5 Å²	71.5	25%	0.248	35%	0.351	C	S	.	.			trans	-58.4	123.1	174.3	-173.1	55.2	-117.5	0	0	110.4	G38 F151 S155 I193	E36-G38 PolarHBondContact OE1-N 2.92Å; E36-F151 HydrophobicContact CG-CE2 3.71Å; E36-F151 HydrophobicContact CG-CZ 3.98Å; E36-S155 PolarHBondContact OE2-OG 3.49Å; E36-I193 HydrophobicContact CB-CG2 4.4Å
37	K	82.6	Confident	93.9	Very high	201 Å²	201	70 Å²	70	87%	0.874	34%	0.344	S	S	*	.			trans	-94.7	-15.4	-173.7	-65.6	-171.8	180	179.6	0	113.3	D35	D35-K37 PolarHBondContact O-N 3.38Å
38	G	94.3	Very high	94.6	Very high	18 Å²	18	67.7 Å²	67.7	19%	0.186	33%	0.329	C	S	.	.			trans	-87.5	165.1	176.2	0	0	0	0	0	112.7	E36 F151	E36-G38 PolarHBondContact OE1-N 2.92Å; G38-F151 WeakPolarHBondContact O-CZ 3.46Å
39	T	97.7	Very high	94.3	Very high	34 Å²	34	69.4 Å²	69.4	21%	0.209	34%	0.34	C	S	.	.			trans	-128.9	159.1	170	73.5	0	0	0	0	109.8	Y41 Y43 G192 I193	T39-Y41 PolarHBondContact O-N 3.31Å; T39-Y41 VanDerWaalsContact O-N 3.1Å; T39-Y41 WeakPolarHBondContact OG1-CB 3.38Å; T39-Y41 PolarHBondContact OG1-N 2.98Å; T39-Y43 VanDerWaalsContact O-CE2 3.29Å; T39-Y43 WeakPolarHBondContact O-CE2 3.37Å; T39-G192 WeakPolarHBondContact CA-O 3.4Å; T39-I193 HydrophobicContact CG2-CG1 4.45Å
40	I	98.4	Very high	93.5	Very high	0 Å²	0	72.8 Å²	72.8	0%	0	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-63.9	-14.6	172.2	63.2	157.6	0	0	0	113.1	D42 Y43 F56 I64 F66 F151 L152 V188 G192	I40-D42 PolarHBondContact O-N 3.34Å; I40-Y43 WeakPolarHBondContact O-CD2 3.37Å; I40-Y43 PolarHBondContact O-N 3.29Å; I40-Y43 VanDerWaalsContact O-N 3.07Å; I40-F56 HydrophobicContact CB-CD2 4.5Å; I40-F56 HydrophobicContact CD1-CB 4.06Å; I40-F56 HydrophobicContact CG1-CB 4.44Å; I40-F56 WeakPolarHBondContact O-CB 3.39Å; I40-I64 HydrophobicContact CD1-CD1 3.21Å; I40-F66 HydrophobicContact CB-CZ 4.48Å; I40-F66 HydrophobicContact CD1-CE2 4Å; I40-F66 HydrophobicContact CD1-CZ 3.96Å; I40-F66 HydrophobicContact CG2-CE2 4.18Å; I40-F66 HydrophobicContact CG2-CZ 4.2Å; I40-F151 HydrophobicContact CG2-CD1 4.07Å; I40-F151 HydrophobicContact CG2-CE1 3.71Å; I40-L152 HydrophobicContact CG2-CD2 4.25Å; I40-V188 HydrophobicContact CD1-CG1 3.94Å; I40-V188 HydrophobicContact CG1-CG1 3.97Å; I40-V188 HydrophobicContact CG2-CB 4.49Å; I40-V188 HydrophobicContact CG2-CG1 3.91Å; I40-V188 HydrophobicContact CG2-CG2 3.89Å; I40-G192 PolarHBondContact N-O 3.43Å
41	Y	98	Very high	92.9	Very high	41 Å²	41	76.4 Å²	76.4	16%	0.161	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	-72.5	-9	-172.7	-54	-40.5	0	0	0	113.4	T39 Y43 F56 V60 P190 D191 G192	T39-Y41 PolarHBondContact O-N 3.31Å; T39-Y41 VanDerWaalsContact O-N 3.1Å; T39-Y41 WeakPolarHBondContact OG1-CB 3.38Å; T39-Y41 PolarHBondContact OG1-N 2.98Å; Y41-Y43 VanDerWaalsContact C-N 3.27Å; Y41-F56 WeakPolarHBondContact CD1-O 3.4Å; Y41-V60 HydrophobicContact CD1-CG2 4.08Å; Y41-V60 HydrophobicContact CD2-CG2 4.06Å; Y41-V60 HydrophobicContact CE1-CG2 3.8Å; Y41-V60 HydrophobicContact CE2-CG2 3.75Å; Y41-V60 HydrophobicContact CG-CG2 4.22Å; Y41-V60 WeakPolarHBondContact OH-CA 3.29Å; Y41-P190 PolarHBondContact OH-O 3.12Å; Y41-D191 VanDerWaalsContact CE2-C 3.43Å; Y41-D191 VanDerWaalsContact CE2-O 3.25Å; Y41-D191 WeakPolarHBondContact CE2-O 3.47Å; Y41-G192 WeakPolarHBondContact OH-CA 3.29Å; Y41-G192 PolarHBondContact OH-N 3.19Å
42	D	97.8	Very high	92.7	Very high	123 Å²	123	76 Å²	76	66%	0.658	37%	0.37	S	S	*	.	G	3₁₀ helix	trans	-82.7	-2.6	171.6	-58.4	-48.4	0	0	0	112.9	I40	I40-D42 PolarHBondContact O-N 3.34Å
43	Y	98.4	Very high	92.7	Very high	56 Å²	56	82 Å²	82	22%	0.22	39%	0.392	C	S	.	.			trans	-120.8	164	-177.8	-43.2	-81	0	0	0	113	T39 I40 Y41 F56 K147 V148 F151	T39-Y43 VanDerWaalsContact O-CE2 3.29Å; T39-Y43 WeakPolarHBondContact O-CE2 3.37Å; I40-Y43 WeakPolarHBondContact O-CD2 3.37Å; I40-Y43 PolarHBondContact O-N 3.29Å; I40-Y43 VanDerWaalsContact O-N 3.07Å; Y41-Y43 VanDerWaalsContact C-N 3.27Å; Y43-F56 WeakPolarHBondContact O-CD2 3.46Å; Y43-F56 PolarHBondContact O-N 3.19Å; Y43-K147 HydrophobicContact CD1-CB 3.82Å; Y43-K147 HydrophobicContact CE1-CB 3.92Å; Y43-V148 HydrophobicContact CD2-CB 4.24Å; Y43-V148 HydrophobicContact CD2-CG2 4.13Å; Y43-V148 HydrophobicContact CG-CB 3.99Å; Y43-V148 HydrophobicContact CG-CG2 4.34Å; Y43-F151 HydrophobicContact CD2-CD1 4.44Å; Y43-F151 HydrophobicContact CE1-CB 4.44Å; Y43-F151 HydrophobicContact CE2-CB 3.74Å; Y43-F151 AromaticContact CE2-CD1 3.65Å; Y43-F151 HydrophobicContact CE2-CD1 3.65Å; Y43-F151 HydrophobicContact CE2-CD2 4.35Å; Y43-F151 HydrophobicContact CE2-CE1 4.37Å; Y43-F151 AromaticContact CE2-CG 3.64Å; Y43-F151 HydrophobicContact CE2-CG 3.64Å; Y43-F151 AromaticContact CZ-CG 3.87Å; Y43-F151 WeakPolarHBondContact OH-CB 3.42Å
44	E	98.1	Very high	92.8	Very high	105 Å²	105	78.8 Å²	78.8	49%	0.491	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	165.1	177	65	-172.2	172.5	0	0	109.7	Y53 V54 P55	E44-Y53 HydrophobicContact CG-CD1 4.1Å; E44-V54 VanDerWaalsContact CA-O 3.31Å; E44-V54 WeakPolarHBondContact CA-O 3.13Å; E44-V54 WeakPolarHBondContact CB-O 3.12Å; E44-P55 HydrophobicContact CB-CB 4.49Å
45	A	98.1	Very high	93.2	Very high	8 Å²	8	71.5 Å²	71.5	7%	0.066	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	156.1	172	0	0	0	0	0	110.8	V54 F56 F99 F135	A45-V54 PolarHBondContact N-O 3.2Å; A45-V54 WeakPolarHBondContact O-CB 3.25Å; A45-V54 PolarHBondContact O-N 3.11Å; A45-F56 HydrophobicContact CB-CE1 4.06Å; A45-F56 HydrophobicContact CB-CZ 3.68Å; A45-F99 HydrophobicContact CB-CE1 3.79Å; A45-F99 HydrophobicContact CB-CZ 4.42Å; A45-F135 HydrophobicContact CB-CB 4.19Å; A45-F135 HydrophobicContact CB-CD1 3.35Å; A45-F135 HydrophobicContact CB-CE1 3.89Å; A45-F135 HydrophobicContact CB-CG 3.8Å
46	I	97.7	Very high	93.8	Very high	34 Å²	34	65.4 Å²	65.4	17%	0.174	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	127.4	-179.4	-57.1	170.4	0	0	0	108.9	E52 Y53 F135 E136	I46-E52 WeakPolarHBondContact CA-O 3.44Å; I46-Y53 HydrophobicContact CD1-CE1 3.87Å; I46-Y53 HydrophobicContact CG1-CD1 3.81Å; I46-Y53 HydrophobicContact CG1-CE1 3.59Å; I46-Y53 HydrophobicContact CG1-CE2 4.46Å; I46-Y53 HydrophobicContact CG1-CG 4.34Å; I46-F135 CarbonylContact O-C 3.52Å; I46-F135 VanDerWaalsContact O-CA 3.29Å; I46-F135 WeakPolarHBondContact O-CA 3.35Å; I46-F135 WeakPolarHBondContact O-CB 3.3Å; I46-F135 WeakPolarHBondContact O-CD1 3.42Å; I46-E136 HydrophobicContact CB-CB 4.48Å; I46-E136 HydrophobicContact CB-CG 3.88Å; I46-E136 HydrophobicContact CG2-CG 3.76Å; I46-E136 PolarHBondContact O-N 3.38Å
47	A	97.4	Very high	94.5	Very high	1 Å²	1	69.9 Å²	69.9	1%	0.008	34%	0.338	C	S	.	.	B	Isolated β-bridge	trans	-68.1	135.9	176.5	0	0	0	0	0	111.4	N49 K50 E52 V54	A47-N49 VanDerWaalsContact C-N 3.26Å; A47-N49 PolarHBondContact O-N 3.3Å; A47-K50 HydrophobicContact CB-CB 4.23Å; A47-K50 PolarHBondContact O-N 3.17Å; A47-E52 PolarHBondContact N-O 3.34Å; A47-V54 HydrophobicContact CB-CG2 3.88Å
48	L	96.3	Very high	95.2	Very high	13 Å²	13	65.8 Å²	65.8	7%	0.068	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.2	-36.3	-170.9	-175	67.2	0	0	0	115.3	N112 I115 L116 L134	L48-N112 HydrophobicContact CD1-CB 3.61Å; L48-I115 HydrophobicContact CD1-CD1 3.99Å; L48-I115 HydrophobicContact CD2-CB 4.18Å; L48-I115 HydrophobicContact CD2-CG2 4.23Å; L48-L116 HydrophobicContact CD2-CD1 4.16Å; L48-L116 HydrophobicContact CD2-CG 3.93Å; L48-L134 HydrophobicContact CB-CB 4.12Å; L48-L134 WeakPolarHBondContact CB-O 3.34Å; L48-L134 HydrophobicContact CD2-CB 3.83Å; L48-L134 HydrophobicContact CD2-CD1 3.95Å; L48-L134 PolarHBondContact N-O 2.9Å
49	N	83.7	Confident	95.4	Very high	113 Å²	113	66 Å²	66	60%	0.604	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115	-4.3	-172.8	-71.1	-9.4	0	0	0	115.2	A47 L116	A47-N49 VanDerWaalsContact C-N 3.26Å; A47-N49 PolarHBondContact O-N 3.3Å; N49-L116 WeakPolarHBondContact ND2-CD1 3.46Å
50	K	78.3	Confident	95.4	Very high	139 Å²	139	68.6 Å²	68.6	60%	0.604	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.8	-10	-170.7	-62.9	-171.6	-179.9	-179.8	0	113.5	A47 E52	A47-K50 HydrophobicContact CB-CB 4.23Å; A47-K50 PolarHBondContact O-N 3.17Å; K50-E52 HydrophobicContact CB-CB 3.64Å; K50-E52 WeakPolarHBondContact CD-OE2 3.39Å; K50-E52 IonicContact NZ-OE2 3.95Å; K50-E52 PolarHBondContact O-N 3.2Å; K50-E52 VanDerWaalsContact O-N 3.09Å
51	N	84.5	Confident	95.4	Very high	127 Å²	127	70.8 Å²	70.8	68%	0.679	36%	0.355	S	S	*	.			trans	45.5	36.8	-168	-160.6	40.4	0	0	0	111.2
52	E	94	Very high	95.4	Very high	100 Å²	100	73.2 Å²	73.2	47%	0.467	37%	0.366	S	S	.	.			trans	-113.9	128	-171.7	-178.4	-175.3	177.9	0	0	107.7	I46 A47 K50	I46-E52 WeakPolarHBondContact CA-O 3.44Å; A47-E52 PolarHBondContact N-O 3.34Å; K50-E52 HydrophobicContact CB-CB 3.64Å; K50-E52 WeakPolarHBondContact CD-OE2 3.39Å; K50-E52 IonicContact NZ-OE2 3.95Å; K50-E52 PolarHBondContact O-N 3.2Å; K50-E52 VanDerWaalsContact O-N 3.09Å
53	Y	96.3	Very high	95.4	Very high	139 Å²	139	68 Å²	68	55%	0.545	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	128.3	171.4	-73	-88.1	0	0	0	109.8	E44 I46 P55	E44-Y53 HydrophobicContact CG-CD1 4.1Å; I46-Y53 HydrophobicContact CD1-CE1 3.87Å; I46-Y53 HydrophobicContact CG1-CD1 3.81Å; I46-Y53 HydrophobicContact CG1-CE1 3.59Å; I46-Y53 HydrophobicContact CG1-CE2 4.46Å; I46-Y53 HydrophobicContact CG1-CG 4.34Å; Y53-P55 WeakPolarHBondContact O-CD 3.44Å
54	V	97.7	Very high	95.4	Very high	8 Å²	8	65.4 Å²	65.4	5%	0.048	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	99.1	-179.7	-178.9	0	0	0	0	108.3	E44 A45 A47 F56 Y59 F135	E44-V54 VanDerWaalsContact CA-O 3.31Å; E44-V54 WeakPolarHBondContact CA-O 3.13Å; E44-V54 WeakPolarHBondContact CB-O 3.12Å; A45-V54 PolarHBondContact N-O 3.2Å; A45-V54 WeakPolarHBondContact O-CB 3.25Å; A45-V54 PolarHBondContact O-N 3.11Å; A47-V54 HydrophobicContact CB-CG2 3.88Å; V54-F56 PolarHBondContact O-N 3.38Å; V54-Y59 HydrophobicContact CG1-CE2 4.39Å; V54-F135 HydrophobicContact CB-CE1 3.86Å; V54-F135 HydrophobicContact CG1-CE1 4.15Å; V54-F135 HydrophobicContact CG1-CZ 4.47Å; V54-F135 HydrophobicContact CG2-CE1 4.16Å
55	P	98.1	Very high	95.4	Very high	60 Å²	60	60.4 Å²	60.4	39%	0.39	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	127.7	176.9	27.5	-33.5	0	0	0	109.8	E44 Y53 K57 Q58	E44-P55 HydrophobicContact CB-CB 4.49Å; Y53-P55 WeakPolarHBondContact O-CD 3.44Å; P55-K57 PolarHBondContact O-N 3.23Å; P55-K57 VanDerWaalsContact O-N 3.09Å; P55-Q58 VanDerWaalsContact O-CG 3.26Å; P55-Q58 WeakPolarHBondContact O-CG 3.48Å; P55-Q58 PolarHBondContact O-N 3.31Å
56	F	98.5	Very high	95.5	Very high	0 Å²	0	60 Å²	60	0%	0	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-68	-14.2	-178.2	-60.1	-31.7	0	0	0	113.2	I40 Y41 Y43 A45 V54 Q58 Y59 F66 L97 F99 F135 V148	I40-F56 HydrophobicContact CB-CD2 4.5Å; I40-F56 HydrophobicContact CD1-CB 4.06Å; I40-F56 HydrophobicContact CG1-CB 4.44Å; I40-F56 WeakPolarHBondContact O-CB 3.39Å; Y41-F56 WeakPolarHBondContact CD1-O 3.4Å; Y43-F56 WeakPolarHBondContact O-CD2 3.46Å; Y43-F56 PolarHBondContact O-N 3.19Å; A45-F56 HydrophobicContact CB-CE1 4.06Å; A45-F56 HydrophobicContact CB-CZ 3.68Å; V54-F56 PolarHBondContact O-N 3.38Å; F56-Q58 PolarHBondContact O-N 3.11Å; F56-Q58 VanDerWaalsContact O-N 3.11Å; F56-Y59 HydrophobicContact CB-CD2 4.3Å; F56-Y59 HydrophobicContact CD1-CD2 4.22Å; F56-Y59 AromaticContact CD1-CE2 3.99Å; F56-Y59 HydrophobicContact CD1-CE2 3.99Å; F56-Y59 WeakPolarHBondContact O-CB 3.48Å; F56-Y59 PolarHBondContact O-N 3.31Å; F56-F66 HydrophobicContact CD2-CE1 4.45Å; F56-F66 HydrophobicContact CD2-CZ 4.31Å; F56-F66 HydrophobicContact CE2-CE1 4.07Å; F56-F66 HydrophobicContact CE2-CZ 4.38Å; F56-F66 HydrophobicContact CZ-CE1 4.18Å; F56-L97 HydrophobicContact CD1-CD1 4.44Å; F56-L97 HydrophobicContact CE1-CD1 4.39Å; F56-F99 HydrophobicContact CE1-CZ 4.25Å; F56-F99 HydrophobicContact CZ-CE1 4.19Å; F56-F99 AromaticContact CZ-CZ 3.72Å; F56-F99 HydrophobicContact CZ-CZ 3.72Å; F56-F135 HydrophobicContact CE1-CE1 4.11Å; F56-F135 HydrophobicContact CE1-CE2 4.48Å; F56-F135 AromaticContact CE1-CZ 3.89Å; F56-F135 HydrophobicContact CE1-CZ 3.89Å; F56-V148 HydrophobicContact CD2-CG2 4.13Å; F56-V148 HydrophobicContact CE2-CB 3.86Å; F56-V148 HydrophobicContact CE2-CG1 4.05Å; F56-V148 HydrophobicContact CE2-CG2 3.63Å
57	K	98.2	Very high	95.5	Very high	148 Å²	148	58.4 Å²	58.4	64%	0.643	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-52.6	-25.3	167	-169	173.9	-177	174.9	0	113.5	P55 Y59 V60	P55-K57 PolarHBondContact O-N 3.23Å; P55-K57 VanDerWaalsContact O-N 3.09Å; K57-Y59 PolarHBondContact O-N 2.92Å; K57-V60 HydrophobicContact CG-CG2 4.3Å; K57-V60 WeakPolarHBondContact O-CG2 3.45Å; K57-V60 PolarHBondContact O-N 3.36Å
58	Q	98	Very high	95.6	Very high	114 Å²	114	58.3 Å²	58.3	53%	0.533	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-65.4	-16.8	174.6	78.6	177.1	-5.6	0	0	113.7	P55 F56	P55-Q58 VanDerWaalsContact O-CG 3.26Å; P55-Q58 WeakPolarHBondContact O-CG 3.48Å; P55-Q58 PolarHBondContact O-N 3.31Å; F56-Q58 PolarHBondContact O-N 3.11Å; F56-Q58 VanDerWaalsContact O-N 3.11Å
59	Y	98.1	Very high	95.7	Very high	24 Å²	24	57.7 Å²	57.7	9%	0.094	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-97.9	17.2	-179.6	-55.3	-61.8	0	0	0	112.9	V54 F56 K57 G61 K62 I64 V95 L97	V54-Y59 HydrophobicContact CG1-CE2 4.39Å; F56-Y59 HydrophobicContact CB-CD2 4.3Å; F56-Y59 HydrophobicContact CD1-CD2 4.22Å; F56-Y59 AromaticContact CD1-CE2 3.99Å; F56-Y59 HydrophobicContact CD1-CE2 3.99Å; F56-Y59 WeakPolarHBondContact O-CB 3.48Å; F56-Y59 PolarHBondContact O-N 3.31Å; K57-Y59 PolarHBondContact O-N 2.92Å; Y59-G61 PolarHBondContact O-N 2.89Å; Y59-K62 VanDerWaalsContact O-CB 3.29Å; Y59-K62 WeakPolarHBondContact O-CB 3.28Å; Y59-K62 PolarHBondContact O-N 3.45Å; Y59-I64 HydrophobicContact CD2-CD1 4.4Å; Y59-I64 HydrophobicContact CG-CD1 4.16Å; Y59-V95 HydrophobicContact CD1-CG1 4.17Å; Y59-V95 HydrophobicContact CD1-CG2 4.4Å; Y59-V95 HydrophobicContact CE1-CG1 3.86Å; Y59-L97 HydrophobicContact CD2-CD1 4.24Å; Y59-L97 HydrophobicContact CE1-CD2 4.46Å; Y59-L97 HydrophobicContact CE2-CD1 3.82Å; Y59-L97 HydrophobicContact CE2-CD2 3.98Å; Y59-L97 WeakPolarHBondContact OH-CD2 3.43Å
60	V	98	Very high	96.4	Very high	87 Å²	87	52.3 Å²	52.3	53%	0.527	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	133.2	171.3	168.8	0	0	0	0	110.3	Y41 K57 K62	Y41-V60 HydrophobicContact CD1-CG2 4.08Å; Y41-V60 HydrophobicContact CD2-CG2 4.06Å; Y41-V60 HydrophobicContact CE1-CG2 3.8Å; Y41-V60 HydrophobicContact CE2-CG2 3.75Å; Y41-V60 HydrophobicContact CG-CG2 4.22Å; Y41-V60 WeakPolarHBondContact OH-CA 3.29Å; K57-V60 HydrophobicContact CG-CG2 4.3Å; K57-V60 WeakPolarHBondContact O-CG2 3.45Å; K57-V60 PolarHBondContact O-N 3.36Å; V60-K62 VanDerWaalsContact C-N 3.29Å; V60-K62 PolarHBondContact O-N 3.41Å
61	G	97.5	Very high	97.4	Very high	46 Å²	46	45.8 Å²	45.8	47%	0.474	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.9	4.2	-176.9	0	0	0	0	0	115	Y59 P190	Y59-G61 PolarHBondContact O-N 2.89Å; G61-P190 WeakPolarHBondContact CA-O 3.48Å; G61-P190 PolarHBondContact N-O 2.89Å
62	K	98.1	Very high	98	Very high	92 Å²	92	44.4 Å²	44.4	40%	0.4	22%	0.218	S	C	.	.	S	Bend	trans	-105.7	150.7	176.8	-57.6	-61.5	-177	-176.9	0	111.7	Y59 V60 I64 G93 V95 G189 P190	Y59-K62 VanDerWaalsContact O-CB 3.29Å; Y59-K62 WeakPolarHBondContact O-CB 3.28Å; Y59-K62 PolarHBondContact O-N 3.45Å; V60-K62 VanDerWaalsContact C-N 3.29Å; V60-K62 PolarHBondContact O-N 3.41Å; K62-I64 HydrophobicContact CB-CG1 4.26Å; K62-G93 WeakPolarHBondContact CA-O 3.3Å; K62-G93 WeakPolarHBondContact CB-O 3.29Å; K62-V95 HydrophobicContact CB-CG2 4.07Å; K62-V95 HydrophobicContact CD-CG2 4.41Å; K62-V95 HydrophobicContact CG-CG2 4.12Å; K62-G189 CarbonylContact O-C 3.51Å; K62-P190 VanDerWaalsContact O-CA 3.29Å; K62-P190 WeakPolarHBondContact O-CA 3.09Å
63	H	98.3	Very high	98.1	Very high	15 Å²	15	39.8 Å²	39.8	7%	0.069	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	127	166.8	-59	-76.2	0	0	0	108.1	Y92 G93 L94 V95 L187 V188 Y214 L215 F218	H63-Y92 PolarHBondContact CD2-O 3.27Å; H63-G93 PolarHBondContact N-O 3.47Å; H63-L94 HydrophobicContact CB-CD1 4.05Å; H63-L94 CarbonylContact O-C 3.52Å; H63-L94 VanDerWaalsContact O-CA 3.3Å; H63-L94 WeakPolarHBondContact O-CA 3.39Å; H63-V95 PolarHBondContact O-N 2.74Å; H63-L187 HydrophobicContact CB-CD1 4.43Å; H63-V188 WeakPolarHBondContact CA-O 3.19Å; H63-Y214 AromaticContact CE1-CE1 3.86Å; H63-Y214 AromaticContact ND1-CE1 3.65Å; H63-L215 VanDerWaalsContact CD2-CD2 3.41Å; H63-L215 WeakPolarHBondContact CD2-CD2 3.41Å; H63-L215 WeakPolarHBondContact NE2-CD2 2.94Å; H63-F218 AromaticContact CE1-CE2 3.75Å
64	I	98.8	Very high	98.1	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	122.8	-169.2	-54.8	155.5	0	0	0	109.3	I40 Y59 K62 F66 V95 L97 L187 V188	I40-I64 HydrophobicContact CD1-CD1 3.21Å; Y59-I64 HydrophobicContact CD2-CD1 4.4Å; Y59-I64 HydrophobicContact CG-CD1 4.16Å; K62-I64 HydrophobicContact CB-CG1 4.26Å; I64-F66 HydrophobicContact CB-CD2 4.43Å; I64-F66 HydrophobicContact CB-CE2 3.99Å; I64-F66 HydrophobicContact CG2-CD2 3.74Å; I64-F66 HydrophobicContact CG2-CE2 3.34Å; I64-F66 HydrophobicContact CG2-CZ 3.97Å; I64-V95 CarbonylContact C-O 3.52Å; I64-V95 VanDerWaalsContact CA-O 3.31Å; I64-V95 WeakPolarHBondContact CA-O 3.42Å; I64-L97 HydrophobicContact CG2-CD1 3.4Å; I64-L97 HydrophobicContact CG2-CG 3.72Å; I64-L187 CarbonylContact O-C 3.48Å; I64-L187 WeakPolarHBondContact O-CA 3.48Å; I64-V188 HydrophobicContact CB-CB 4.29Å; I64-V188 PolarHBondContact N-O 2.99Å; I64-V188 PolarHBondContact O-N 3.41Å
65	L	98.9	Very high	98.1	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	102.8	175.7	-174.2	69.6	0	0	0	109.2	V67 L82 L85 L94 V95 V96 L97 K185 F186 W198 V207 I211	L65-V67 HydrophobicContact CD2-CG2 4.23Å; L65-V67 HydrophobicContact CG-CG2 4Å; L65-L82 HydrophobicContact CD2-CD2 4.23Å; L65-L85 HydrophobicContact CD2-CD2 3.63Å; L65-L94 HydrophobicContact CB-CD1 4.27Å; L65-V95 PolarHBondContact N-O 3.13Å; L65-V96 HydrophobicContact CB-CG2 4.34Å; L65-V96 HydrophobicContact CD2-CG2 4.23Å; L65-V96 WeakPolarHBondContact O-CA 3.39Å; L65-L97 PolarHBondContact O-N 3.4Å; L65-K185 HydrophobicContact CD1-CB 4.14Å; L65-F186 CarbonylContact C-O 3.53Å; L65-F186 WeakPolarHBondContact CA-O 3.41Å; L65-W198 HydrophobicContact CD1-CE3 4.5Å; L65-W198 HydrophobicContact CD1-CZ3 3.85Å; L65-V207 HydrophobicContact CD1-CG1 4.37Å; L65-V207 HydrophobicContact CD2-CG1 4.43Å; L65-I211 HydrophobicContact CD1-CD1 4.44Å
66	F	98.9	Very high	98	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	131.8	172.1	-71.2	-103	0	0	0	109.5	I40 F56 I64 L97 F99 V148 L152 K185 F186 V188	I40-F66 HydrophobicContact CB-CZ 4.48Å; I40-F66 HydrophobicContact CD1-CE2 4Å; I40-F66 HydrophobicContact CD1-CZ 3.96Å; I40-F66 HydrophobicContact CG2-CE2 4.18Å; I40-F66 HydrophobicContact CG2-CZ 4.2Å; F56-F66 HydrophobicContact CD2-CE1 4.45Å; F56-F66 HydrophobicContact CD2-CZ 4.31Å; F56-F66 HydrophobicContact CE2-CE1 4.07Å; F56-F66 HydrophobicContact CE2-CZ 4.38Å; F56-F66 HydrophobicContact CZ-CE1 4.18Å; I64-F66 HydrophobicContact CB-CD2 4.43Å; I64-F66 HydrophobicContact CB-CE2 3.99Å; I64-F66 HydrophobicContact CG2-CD2 3.74Å; I64-F66 HydrophobicContact CG2-CE2 3.34Å; I64-F66 HydrophobicContact CG2-CZ 3.97Å; F66-L97 HydrophobicContact CE1-CD1 3.98Å; F66-L97 HydrophobicContact CE2-CD1 4.41Å; F66-L97 HydrophobicContact CZ-CD1 3.91Å; F66-F99 HydrophobicContact CD1-CD2 4.17Å; F66-F99 AromaticContact CD1-CE2 3.35Å; F66-F99 HydrophobicContact CD1-CE2 3.35Å; F66-F99 AromaticContact CD1-CZ 3.9Å; F66-F99 HydrophobicContact CD1-CZ 3.9Å; F66-F99 AromaticContact CE1-CE2 3.76Å; F66-F99 HydrophobicContact CE1-CE2 3.76Å; F66-F99 AromaticContact CE1-CZ 3.85Å; F66-F99 HydrophobicContact CE1-CZ 3.85Å; F66-F99 HydrophobicContact CG-CE2 4.41Å; F66-V148 HydrophobicContact CE1-CG2 3.89Å; F66-V148 HydrophobicContact CZ-CG2 4.28Å; F66-L152 HydrophobicContact CB-CD1 3.97Å; F66-L152 HydrophobicContact CD1-CD1 3.79Å; F66-L152 HydrophobicContact CD2-CD1 4.15Å; F66-L152 HydrophobicContact CE1-CD1 4.34Å; F66-L152 HydrophobicContact CG-CD1 3.7Å; F66-K185 CarbonylContact O-C 3.6Å; F66-K185 VanDerWaalsContact O-CA 3.3Å; F66-K185 WeakPolarHBondContact O-CA 3.31Å; F66-F186 HydrophobicContact CB-CB 4.29Å; F66-F186 PolarHBondContact N-O 3.4Å; F66-F186 PolarHBondContact O-N 3.11Å; F66-V188 HydrophobicContact CD2-CG2 3.85Å; F66-V188 HydrophobicContact CE2-CB 4.27Å; F66-V188 HydrophobicContact CE2-CG2 3.73Å
67	V	98.9	Very high	98	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	122.5	177.6	-168.6	0	0	0	0	109.3	L65 V69 L82 V96 L97 G98 F99 F183 E184 K185	L65-V67 HydrophobicContact CD2-CG2 4.23Å; L65-V67 HydrophobicContact CG-CG2 4Å; V67-V69 HydrophobicContact CB-CG1 4.13Å; V67-V69 HydrophobicContact CG1-CG1 3.75Å; V67-L82 HydrophobicContact CG1-CD1 4.36Å; V67-L82 HydrophobicContact CG2-CD2 4.33Å; V67-V96 HydrophobicContact CG2-CG1 4.31Å; V67-L97 PolarHBondContact N-O 3.17Å; V67-G98 WeakPolarHBondContact O-CA 3.28Å; V67-F99 PolarHBondContact O-N 2.67Å; V67-F183 HydrophobicContact CG1-CD1 4.23Å; V67-E184 WeakPolarHBondContact CA-O 3.46Å; V67-K185 HydrophobicContact CG1-CG 4.23Å; V67-K185 HydrophobicContact CG2-CG 4.19Å
68	N	98.8	Very high	98	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	125.3	167.3	69.4	-62	0	0	0	108.7	F99 F104 V140 F149 W181 N182 F183 E184	N68-F99 CarbonylContact C-O 3.6Å; N68-F99 VanDerWaalsContact CA-O 3.29Å; N68-F99 WeakPolarHBondContact CA-O 3.45Å; N68-F104 WeakPolarHBondContact ND2-CE2 3.4Å; N68-V140 HydrophobicContact CB-CG1 4.24Å; N68-F149 HydrophobicContact CB-CE1 4.45Å; N68-F149 HydrophobicContact CB-CZ 4.18Å; N68-W181 PolarHBondContact ND2-O 3.07Å; N68-N182 WeakPolarHBondContact ND2-CA 3.34Å; N68-F183 WeakPolarHBondContact O-CA 3.26Å; N68-F183 PolarHBondContact O-N 2.77Å; N68-E184 PolarHBondContact N-O 2.86Å; N68-E184 WeakPolarHBondContact OD1-CA 3.09Å; N68-E184 VanDerWaalsContact OD1-CB 3.29Å; N68-E184 WeakPolarHBondContact OD1-CB 3.11Å; N68-E184 PolarHBondContact OD1-N 2.88Å; N68-E184 PolarHBondContact OD1-O 3.09Å; N68-E184 VanDerWaalsContact OD1-O 3.04Å
69	V	98.8	Very high	98	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	160	-167.5	-64.8	0	0	0	0	112.5	V67 Y79 F99 P100 C101 L134 F183	V67-V69 HydrophobicContact CB-CG1 4.13Å; V67-V69 HydrophobicContact CG1-CG1 3.75Å; V69-Y79 HydrophobicContact CB-CE2 4.2Å; V69-Y79 VanDerWaalsContact CB-OH 3.23Å; V69-Y79 WeakPolarHBondContact CB-OH 3.49Å; V69-Y79 WeakPolarHBondContact CG2-OH 3.44Å; V69-F99 PolarHBondContact N-O 3.01Å; V69-P100 HydrophobicContact CG2-CB 4.28Å; V69-P100 HydrophobicContact CG2-CG 4.05Å; V69-P100 WeakPolarHBondContact O-CA 3.16Å; V69-C101 PolarHBondContact O-N 3.14Å; V69-L134 HydrophobicContact CG2-CD2 4.3Å; V69-F183 HydrophobicContact CB-CE1 4.35Å; V69-F183 HydrophobicContact CB-CZ 4.35Å; V69-F183 HydrophobicContact CG1-CD1 4.36Å; V69-F183 HydrophobicContact CG1-CE1 4.02Å
70	A	98.4	Very high	98	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	18%	0.183	C	C	.	.			trans	-147.4	136.5	175.8	0	0	0	0	0	111.3	C73 T76 Q107 E108 N182 F183	A70-C73 HydrophobicContact CB-CB 3.96Å; A70-T76 PolarHBondContact O-OG1 2.86Å; A70-Q107 HydrophobicContact CB-CB 3.9Å; A70-E108 VanDerWaalsContact C-OE1 3.3Å; A70-E108 WeakPolarHBondContact CA-OE1 3.45Å; A70-E108 HydrophobicContact CB-CB 4.47Å; A70-N182 HydrophobicContact CB-CB 3.96Å; A70-N182 WeakPolarHBondContact CB-OD1 3.43Å; A70-F183 HydrophobicContact CB-CE2 4.43Å; A70-F183 WeakPolarHBondContact O-CZ 3.48Å
71	T	98.3	Very high	98.1	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.006	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-33	178.4	-57.2	0	0	0	0	113.5	T76 Q107 E108 L119 R123	T71-T76 VanDerWaalsContact O-CG2 3.31Å; T71-T76 WeakPolarHBondContact O-CG2 3.34Å; T71-T76 PolarHBondContact O-OG1 3.23Å; T71-T76 VanDerWaalsContact O-OG1 3.12Å; T71-Q107 PolarHBondContact N-O 2.79Å; T71-E108 WeakPolarHBondContact CB-OE2 3.31Å; T71-E108 PolarHBondContact N-OE1 3.27Å; T71-E108 PolarHBondContact OG1-OE1 2.98Å; T71-E108 PolarHBondContact OG1-OE2 2.79Å; T71-L119 HydrophobicContact CG2-CD2 4.24Å; T71-R123 WeakPolarHBondContact O-CD 3.49Å
72	Y	97.4	Very high	98.1	Very high	98 Å²	98	26.1 Å²	26.1	38%	0.384	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110	34.2	-174.8	-61.1	-87.2	0	0	0	112.9	Q107 P109 V122	Y72-Q107 WeakPolarHBondContact CB-O 3.41Å; Y72-Q107 PolarHBondContact N-O 2.64Å; Y72-Q107 WeakPolarHBondContact O-CG 3.29Å; Y72-P109 HydrophobicContact CD2-CG 4.03Å; Y72-P109 HydrophobicContact CE2-CG 4.15Å; Y72-V122 HydrophobicContact CE1-CG1 3.95Å
73	C	95.9	Very high	98.2	Very high	3 Å²	3	23 Å²	23	2%	0.02	14%	0.142	C	C	.	.	S	Bend	trans	-94.2	158.8	174.6	-169.7	0	0	0	0	111.1	A70 L75 T76 Q107 R123 N182 F183	A70-C73 HydrophobicContact CB-CB 3.96Å; C73-L75 PolarHBondContact O-N 2.79Å; C73-L75 PolarHBondContact SG-N 3.44Å; C73-L75 VanDerWaalsContact SG-N 3.39Å; C73-T76 WeakPolarHBondContact CA-OG1 3.37Å; C73-T76 WeakPolarHBondContact CB-OG1 3.44Å; C73-T76 PolarHBondContact N-OG1 2.64Å; C73-T76 WeakPolarHBondContact O-CB 3.48Å; C73-T76 PolarHBondContact O-N 2.03Å; C73-T76 PolarHBondContact O-OG1 2.96Å; C73-Q107 HydrophobicContact CB-CB 4.46Å; C73-Q107 VanDerWaalsContact CB-OE1 3.23Å; C73-Q107 PolarHBondContact SG-OE1 3.31Å; C73-R123 PolarHBondContact O-NH1 3.39Å; C73-N182 HydrophobicContact CB-CB 4.35Å; C73-F183 HydrophobicContact CB-CD2 4.46Å; C73-F183 HydrophobicContact CB-CE2 3.88Å
74	G	95.8	Very high	98.2	Very high	67 Å²	67	24.4 Å²	24.4	69%	0.691	16%	0.156	S	C	*	.	G	3₁₀ helix	trans	-65.2	-27.7	166.3	0	0	0	0	0	112.5	T76	G74-T76 VanDerWaalsContact C-N 3.33Å
75	L	97.5	Very high	98.2	Very high	47 Å²	47	24.6 Å²	24.6	25%	0.246	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-87.2	1.9	178.8	-59.5	179.4	0	0	0	113.5	C73 A77 Q78 F183 H200	C73-L75 PolarHBondContact O-N 2.79Å; C73-L75 PolarHBondContact SG-N 3.44Å; C73-L75 VanDerWaalsContact SG-N 3.39Å; L75-A77 PolarHBondContact O-N 2.59Å; L75-A77 VanDerWaalsContact O-N 3.09Å; L75-Q78 VanDerWaalsContact O-CB 3.28Å; L75-Q78 WeakPolarHBondContact O-CB 3.24Å; L75-Q78 WeakPolarHBondContact O-CG 3.41Å; L75-Q78 PolarHBondContact O-N 2.78Å; L75-F183 HydrophobicContact CB-CB 4.25Å; L75-F183 HydrophobicContact CB-CD2 3.49Å; L75-F183 VanDerWaalsContact CB-CD2 3.49Å; L75-F183 HydrophobicContact CB-CE2 4.04Å; L75-F183 HydrophobicContact CB-CG 3.91Å; L75-F183 HydrophobicContact CD1-CB 4.21Å; L75-H200 HydrophobicContact CD1-CB 3.96Å; L75-H200 WeakPolarHBondContact CD1-O 3.23Å
76	T	98	Very high	98.2	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-59.4	-21.6	173.4	-51.1	0	0	0	0	111.9	A70 T71 C73 G74 Q78 Y79 L119 R123 P124	A70-T76 PolarHBondContact O-OG1 2.86Å; T71-T76 VanDerWaalsContact O-CG2 3.31Å; T71-T76 WeakPolarHBondContact O-CG2 3.34Å; T71-T76 PolarHBondContact O-OG1 3.23Å; T71-T76 VanDerWaalsContact O-OG1 3.12Å; C73-T76 WeakPolarHBondContact CA-OG1 3.37Å; C73-T76 WeakPolarHBondContact CB-OG1 3.44Å; C73-T76 PolarHBondContact N-OG1 2.64Å; C73-T76 WeakPolarHBondContact O-CB 3.48Å; C73-T76 PolarHBondContact O-N 2.03Å; C73-T76 PolarHBondContact O-OG1 2.96Å; G74-T76 VanDerWaalsContact C-N 3.33Å; T76-Q78 PolarHBondContact O-N 3.14Å; T76-Q78 VanDerWaalsContact O-N 3.1Å; T76-Y79 HydrophobicContact CG2-CD2 3.68Å; T76-Y79 HydrophobicContact CG2-CE2 4.04Å; T76-Y79 WeakPolarHBondContact O-CB 3.05Å; T76-Y79 PolarHBondContact O-N 2.87Å; T76-Y79 VanDerWaalsContact O-N 3.09Å; T76-L119 HydrophobicContact CG2-CD2 4.3Å; T76-R123 HydrophobicContact CG2-CG 3.85Å; T76-P124 HydrophobicContact CG2-CG 4.44Å
77	A	96.8	Very high	98.1	Very high	70 Å²	70	30.5 Å²	30.5	58%	0.579	18%	0.184	S	C	*	.	G	3₁₀ helix	trans	-59.7	-14.8	169.7	0	0	0	0	0	114.2	L75 Y79 P80	L75-A77 PolarHBondContact O-N 2.59Å; L75-A77 VanDerWaalsContact O-N 3.09Å; A77-Y79 VanDerWaalsContact C-N 3.32Å; A77-P80 WeakPolarHBondContact O-CD 3.44Å
78	Q	98.5	Very high	98.1	Very high	13 Å²	13	35 Å²	35	6%	0.061	21%	0.205	C	C	.	.	H	α-helix	trans	-75.6	-15.3	174.2	-65.4	-172.2	15.7	0	0	113.4	L75 T76 E81 L82 F183 V204	L75-Q78 VanDerWaalsContact O-CB 3.28Å; L75-Q78 WeakPolarHBondContact O-CB 3.24Å; L75-Q78 WeakPolarHBondContact O-CG 3.41Å; L75-Q78 PolarHBondContact O-N 2.78Å; T76-Q78 PolarHBondContact O-N 3.14Å; T76-Q78 VanDerWaalsContact O-N 3.1Å; Q78-E81 CarbonylContact O-C 3.56Å; Q78-E81 WeakPolarHBondContact O-CB 3.24Å; Q78-E81 PolarHBondContact O-N 2.94Å; Q78-E81 VanDerWaalsContact O-N 3.12Å; Q78-L82 WeakPolarHBondContact O-CG 3.45Å; Q78-L82 PolarHBondContact O-N 2.84Å; Q78-F183 HydrophobicContact CB-CD1 4.17Å; Q78-F183 HydrophobicContact CB-CE1 4.37Å; Q78-V204 HydrophobicContact CB-CG2 3.98Å; Q78-V204 HydrophobicContact CG-CG2 4.07Å
79	Y	98.7	Very high	98.1	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-56.8	-48.9	-179.9	-97.4	-78.3	0	0	0	113.6	V69 T76 A77 E81 L82 N83 L119 F128 P130 F132 L134 F183	V69-Y79 HydrophobicContact CB-CE2 4.2Å; V69-Y79 VanDerWaalsContact CB-OH 3.23Å; V69-Y79 WeakPolarHBondContact CB-OH 3.49Å; V69-Y79 WeakPolarHBondContact CG2-OH 3.44Å; T76-Y79 HydrophobicContact CG2-CD2 3.68Å; T76-Y79 HydrophobicContact CG2-CE2 4.04Å; T76-Y79 WeakPolarHBondContact O-CB 3.05Å; T76-Y79 PolarHBondContact O-N 2.87Å; T76-Y79 VanDerWaalsContact O-N 3.09Å; A77-Y79 VanDerWaalsContact C-N 3.32Å; Y79-E81 VanDerWaalsContact C-N 3.31Å; Y79-E81 PolarHBondContact O-N 2.86Å; Y79-L82 PolarHBondContact O-N 3.37Å; Y79-N83 PolarHBondContact O-N 2.79Å; Y79-L119 HydrophobicContact CD1-CD2 4.44Å; Y79-L119 HydrophobicContact CD2-CD2 3.8Å; Y79-L119 HydrophobicContact CE1-CD1 3.86Å; Y79-L119 HydrophobicContact CE1-CD2 4.17Å; Y79-L119 HydrophobicContact CE2-CD2 3.47Å; Y79-L119 VanDerWaalsContact CE2-CD2 3.47Å; Y79-L119 HydrophobicContact CG-CD2 4.25Å; Y79-F128 AromaticContact CD1-CE1 3.81Å; Y79-F128 HydrophobicContact CD1-CE1 3.81Å; Y79-F128 AromaticContact CD1-CZ 3.98Å; Y79-F128 HydrophobicContact CD1-CZ 3.98Å; Y79-F128 AromaticContact CG-CE1 3.97Å; Y79-F128 HydrophobicContact CG-CE1 3.97Å; Y79-F128 HydrophobicContact CG-CZ 4.18Å; Y79-P130 HydrophobicContact CD1-CG 4.28Å; Y79-P130 HydrophobicContact CE1-CG 4.18Å; Y79-F132 HydrophobicContact CD1-CE1 4.34Å; Y79-F132 HydrophobicContact CD1-CE2 4.48Å; Y79-F132 AromaticContact CD1-CZ 3.61Å; Y79-F132 HydrophobicContact CD1-CZ 3.61Å; Y79-F132 HydrophobicContact CE1-CE2 4.19Å; Y79-F132 AromaticContact CE1-CZ 3.75Å; Y79-F132 HydrophobicContact CE1-CZ 3.75Å; Y79-L134 HydrophobicContact CE1-CD2 4.43Å; Y79-F183 AromaticContact CD2-CE1 3.94Å; Y79-F183 HydrophobicContact CD2-CE1 3.94Å; Y79-F183 AromaticContact CD2-CZ 3.87Å; Y79-F183 HydrophobicContact CD2-CZ 3.87Å; Y79-F183 AromaticContact CE2-CE1 3.98Å; Y79-F183 HydrophobicContact CE2-CE1 3.98Å; Y79-F183 AromaticContact CE2-CZ 3.71Å; Y79-F183 HydrophobicContact CE2-CZ 3.71Å
80	P	98.5	Very high	98	Very high	58 Å²	58	41.1 Å²	41.1	38%	0.377	23%	0.232	S	C	.	.	H	α-helix	trans	-59.9	-37.1	172.1	-26.5	35.9	0	0	0	113.9	A77 N83 A84 P124 F128	A77-P80 WeakPolarHBondContact O-CD 3.44Å; P80-N83 WeakPolarHBondContact O-CB 3.41Å; P80-N83 PolarHBondContact O-N 3.37Å; P80-A84 PolarHBondContact O-N 3.26Å; P80-P124 HydrophobicContact CG-CB 4.25Å; P80-P124 HydrophobicContact CG-CG 4.14Å; P80-F128 HydrophobicContact CB-CE2 4.36Å; P80-F128 HydrophobicContact CG-CD2 4.07Å; P80-F128 HydrophobicContact CG-CE2 4.03Å
81	E	98.6	Very high	97.9	Very high	84 Å²	84	46.3 Å²	46.3	39%	0.393	27%	0.266	S	S	.	.	H	α-helix	trans	-67.3	-37.6	176.3	-60	-179.4	92.5	0	0	111.7	Q78 Y79 N83 A84 L85 V204	Q78-E81 CarbonylContact O-C 3.56Å; Q78-E81 WeakPolarHBondContact O-CB 3.24Å; Q78-E81 PolarHBondContact O-N 2.94Å; Q78-E81 VanDerWaalsContact O-N 3.12Å; Y79-E81 VanDerWaalsContact C-N 3.31Å; Y79-E81 PolarHBondContact O-N 2.86Å; E81-N83 VanDerWaalsContact C-N 3.34Å; E81-A84 PolarHBondContact O-N 3.06Å; E81-L85 WeakPolarHBondContact O-CB 3.28Å; E81-L85 PolarHBondContact O-N 2.86Å; E81-V204 HydrophobicContact CB-CB 3.69Å; E81-V204 HydrophobicContact CB-CG1 3.85Å; E81-V204 HydrophobicContact CB-CG2 3.71Å
82	L	98.8	Very high	97.8	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.005	28%	0.284	C	S	.	.	H	α-helix	trans	-65.8	-36.7	173.5	-70.6	169.1	0	0	0	111.4	L65 V67 Q78 Y79 L85 Q86 F132 F183 V204	L65-L82 HydrophobicContact CD2-CD2 4.23Å; V67-L82 HydrophobicContact CG1-CD1 4.36Å; V67-L82 HydrophobicContact CG2-CD2 4.33Å; Q78-L82 WeakPolarHBondContact O-CG 3.45Å; Q78-L82 PolarHBondContact O-N 2.84Å; Y79-L82 PolarHBondContact O-N 3.37Å; L82-L85 HydrophobicContact CD2-CD2 4.47Å; L82-L85 PolarHBondContact O-N 2.9Å; L82-Q86 WeakPolarHBondContact O-CB 3.47Å; L82-Q86 PolarHBondContact O-N 3.1Å; L82-F132 HydrophobicContact CB-CE1 3.71Å; L82-F132 HydrophobicContact CB-CZ 4.1Å; L82-F132 HydrophobicContact CD1-CZ 4.27Å; L82-F183 HydrophobicContact CD1-CD1 4.47Å; L82-V204 HydrophobicContact CD2-CG1 4.5Å; L82-V204 HydrophobicContact CD2-CG2 4.39Å; L82-V204 HydrophobicContact CG-CG2 4.44Å
83	N	98.7	Very high	97.8	Very high	27 Å²	27	47 Å²	47	14%	0.144	27%	0.272	C	S	.	.	H	α-helix	trans	-61	-46.4	171.8	-88.5	23.2	0	0	0	111.7	Y79 P80 E81 Q86 E87 F128 V129 P130 N131 F132	Y79-N83 PolarHBondContact O-N 2.79Å; P80-N83 WeakPolarHBondContact O-CB 3.41Å; P80-N83 PolarHBondContact O-N 3.37Å; E81-N83 VanDerWaalsContact C-N 3.34Å; N83-Q86 PolarHBondContact O-N 3.12Å; N83-E87 PolarHBondContact O-N 3.25Å; N83-F128 HydrophobicContact CB-CE2 4.44Å; N83-F128 VanDerWaalsContact ND2-CE2 3.35Å; N83-F128 WeakPolarHBondContact ND2-CE2 3.5Å; N83-V129 PolarHBondContact ND2-O 3.15Å; N83-P130 WeakPolarHBondContact OD1-CA 3.31Å; N83-N131 VanDerWaalsContact CA-OD1 3.26Å; N83-N131 WeakPolarHBondContact CA-OD1 3.29Å; N83-N131 PolarHBondContact ND2-N 2.97Å; N83-N131 PolarHBondContact O-ND2 3.04Å; N83-N131 PolarHBondContact OD1-N 3.47Å; N83-N131 PolarHBondContact OD1-OD1 2.71Å; N83-N131 VanDerWaalsContact OD1-OD1 3.12Å; N83-F132 WeakPolarHBondContact OD1-CD1 3.4Å; N83-F132 WeakPolarHBondContact OD1-CE1 3.46Å
84	A	98.7	Very high	97.9	Very high	44 Å²	44	47 Å²	47	36%	0.364	27%	0.272	S	S	.	.	H	α-helix	trans	-62.1	-45.4	176.9	0	0	0	0	0	111.2	P80 E81 Q86 E87 E88	P80-A84 PolarHBondContact O-N 3.26Å; E81-A84 PolarHBondContact O-N 3.06Å; A84-Q86 PolarHBondContact O-N 3.43Å; A84-E87 PolarHBondContact O-N 3.42Å; A84-E88 WeakPolarHBondContact O-CB 3.43Å; A84-E88 VanDerWaalsContact O-CG 3.25Å; A84-E88 WeakPolarHBondContact O-CG 3.04Å; A84-E88 PolarHBondContact O-N 3.42Å
85	L	98.7	Very high	98.1	Very high	3 Å²	3	45.2 Å²	45.2	2%	0.016	25%	0.247	C	C	.	.	H	α-helix	trans	-57.9	-47.8	176.3	-176.2	69.4	0	0	0	112.2	L65 E81 L82 E87 L89 L94 V204 V207 K208 I211	L65-L85 HydrophobicContact CD2-CD2 3.63Å; E81-L85 WeakPolarHBondContact O-CB 3.28Å; E81-L85 PolarHBondContact O-N 2.86Å; L82-L85 HydrophobicContact CD2-CD2 4.47Å; L82-L85 PolarHBondContact O-N 2.9Å; L85-E87 VanDerWaalsContact C-N 3.34Å; L85-E87 PolarHBondContact O-N 2.9Å; L85-L89 HydrophobicContact CD1-CD1 3.55Å; L85-L89 HydrophobicContact CD1-CG 4.13Å; L85-L89 HydrophobicContact CG-CD1 4.33Å; L85-L89 WeakPolarHBondContact O-CB 3.39Å; L85-L89 PolarHBondContact O-N 3.36Å; L85-L94 HydrophobicContact CD2-CD2 4.28Å; L85-L94 HydrophobicContact CG-CD2 3.94Å; L85-V204 HydrophobicContact CB-CG1 4.08Å; L85-V204 HydrophobicContact CD2-CG1 4.06Å; L85-V207 HydrophobicContact CD2-CG1 4.49Å; L85-K208 HydrophobicContact CD1-CB 3.59Å; L85-K208 HydrophobicContact CD1-CD 4.26Å; L85-K208 HydrophobicContact CD1-CG 3.72Å; L85-I211 HydrophobicContact CD2-CD1 4.4Å
86	Q	98.6	Very high	98.1	Very high	16 Å²	16	43 Å²	43	8%	0.075	24%	0.235	C	C	.	.	H	α-helix	trans	-57.6	-46.6	176.9	171.6	63.6	82.5	0	0	110.8	L82 N83 A84 K90 L94 V96 N131 F132	L82-Q86 WeakPolarHBondContact O-CB 3.47Å; L82-Q86 PolarHBondContact O-N 3.1Å; N83-Q86 PolarHBondContact O-N 3.12Å; A84-Q86 PolarHBondContact O-N 3.43Å; Q86-K90 VanDerWaalsContact O-CB 3.23Å; Q86-K90 WeakPolarHBondContact O-CB 3.42Å; Q86-K90 PolarHBondContact O-N 3.41Å; Q86-L94 PolarHBondContact NE2-O 2.86Å; Q86-V96 HydrophobicContact CB-CG2 3.92Å; Q86-N131 WeakPolarHBondContact CB-OD1 3.37Å; Q86-N131 WeakPolarHBondContact CG-OD1 3.16Å; Q86-F132 HydrophobicContact CG-CB 4.33Å
87	E	98.6	Very high	98.2	Very high	108 Å²	108	43 Å²	43	51%	0.505	24%	0.235	S	C	.	.	H	α-helix	trans	-68.6	-47.4	-177.7	-169.1	58.6	-144.3	0	0	111.8	N83 A84 L85 L89 K90	N83-E87 PolarHBondContact O-N 3.25Å; A84-E87 PolarHBondContact O-N 3.42Å; L85-E87 VanDerWaalsContact C-N 3.34Å; L85-E87 PolarHBondContact O-N 2.9Å; E87-L89 PolarHBondContact O-N 2.91Å; E87-K90 WeakPolarHBondContact O-CB 3.42Å; E87-K90 PolarHBondContact O-N 3.49Å
88	E	98.3	Very high	98.3	Very high	94 Å²	94	39.6 Å²	39.6	44%	0.439	21%	0.208	S	C	.	.	H	α-helix	trans	-66	-35.6	-178.2	-70.7	176.9	-163.2	0	0	113.2	A84 P91 K208	A84-E88 WeakPolarHBondContact O-CB 3.43Å; A84-E88 VanDerWaalsContact O-CG 3.25Å; A84-E88 WeakPolarHBondContact O-CG 3.04Å; A84-E88 PolarHBondContact O-N 3.42Å; E88-P91 WeakPolarHBondContact O-CD 3.08Å; E88-K208 IonicContact OE1-NZ 2.76Å; E88-K208 WeakPolarHBondContact OE2-CE 3.32Å; E88-K208 IonicContact OE2-NZ 3.84Å; E88-K208 PolarHBondContact OE2-NZ 3.46Å
89	L	98	Very high	98.3	Very high	4 Å²	4	39 Å²	39	2%	0.021	21%	0.205	C	C	.	.	H	α-helix	trans	-99.9	0.7	-178	-59	-173	0	0	0	113.9	L85 E87 P91 Y92 G93 L94 K208 I211 L212	L85-L89 HydrophobicContact CD1-CD1 3.55Å; L85-L89 HydrophobicContact CD1-CG 4.13Å; L85-L89 HydrophobicContact CG-CD1 4.33Å; L85-L89 WeakPolarHBondContact O-CB 3.39Å; L85-L89 PolarHBondContact O-N 3.36Å; E87-L89 PolarHBondContact O-N 2.91Å; L89-P91 VanDerWaalsContact C-CD 3.45Å; L89-Y92 HydrophobicContact CD2-CD2 3.83Å; L89-Y92 HydrophobicContact CD2-CE2 4.27Å; L89-Y92 CarbonylContact O-C 3.6Å; L89-Y92 WeakPolarHBondContact O-CA 3.3Å; L89-Y92 PolarHBondContact O-N 2.55Å; L89-G93 PolarHBondContact O-N 2.84Å; L89-L94 HydrophobicContact CB-CB 3.65Å; L89-L94 HydrophobicContact CB-CD2 3.61Å; L89-L94 HydrophobicContact CB-CG 4.27Å; L89-L94 HydrophobicContact CD1-CD2 3.81Å; L89-L94 HydrophobicContact CG-CD2 4.26Å; L89-L94 WeakPolarHBondContact O-CB 3.4Å; L89-L94 PolarHBondContact O-N 3.12Å; L89-L94 VanDerWaalsContact O-N 3.17Å; L89-K208 HydrophobicContact CD1-CG 4.41Å; L89-I211 HydrophobicContact CD1-CB 4.28Å; L89-I211 HydrophobicContact CD1-CG2 3.75Å; L89-L212 HydrophobicContact CD2-CD2 3.66Å; L89-L212 HydrophobicContact CD2-CG 4.22Å
90	K	97.3	Very high	98.3	Very high	126 Å²	126	39 Å²	39	55%	0.548	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-53.4	-42.8	171.3	-175.3	177.7	-179.1	-178.2	0	113.1	Q86 E87 Y92 G93	Q86-K90 VanDerWaalsContact O-CB 3.23Å; Q86-K90 WeakPolarHBondContact O-CB 3.42Å; Q86-K90 PolarHBondContact O-N 3.41Å; E87-K90 WeakPolarHBondContact O-CB 3.42Å; E87-K90 PolarHBondContact O-N 3.49Å; K90-Y92 PolarHBondContact O-N 3.2Å; K90-G93 PolarHBondContact O-N 3.44Å
91	P	96.5	Very high	98.3	Very high	109 Å²	109	36.2 Å²	36.2	71%	0.708	19%	0.187	S	C	*	.	G	3₁₀ helix	trans	-63.6	-22.6	177	-22.4	35.4	0	0	0	113.8	E88 L89 G93	E88-P91 WeakPolarHBondContact O-CD 3.08Å; L89-P91 VanDerWaalsContact C-CD 3.45Å; P91-G93 VanDerWaalsContact C-N 3.32Å
92	Y	96.3	Very high	98.3	Very high	101 Å²	101	34 Å²	34	40%	0.396	18%	0.178	S	C	.	.	G	3₁₀ helix	trans	-91.2	5.9	175.6	-59.1	-72.3	0	0	0	113	H63 L89 K90 L215 K219	H63-Y92 PolarHBondContact CD2-O 3.27Å; L89-Y92 HydrophobicContact CD2-CD2 3.83Å; L89-Y92 HydrophobicContact CD2-CE2 4.27Å; L89-Y92 CarbonylContact O-C 3.6Å; L89-Y92 WeakPolarHBondContact O-CA 3.3Å; L89-Y92 PolarHBondContact O-N 2.55Å; K90-Y92 PolarHBondContact O-N 3.2Å; Y92-L215 HydrophobicContact CG-CD1 4.19Å; Y92-K219 VanDerWaalsContact CE1-NZ 3.31Å
93	G	97.2	Very high	98.2	Very high	12 Å²	12	34.2 Å²	34.2	12%	0.124	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.2	18.5	178	0	0	0	0	0	114.8	K62 H63 L89 K90 P91	K62-G93 WeakPolarHBondContact CA-O 3.3Å; K62-G93 WeakPolarHBondContact CB-O 3.29Å; H63-G93 PolarHBondContact N-O 3.47Å; L89-G93 PolarHBondContact O-N 2.84Å; K90-G93 PolarHBondContact O-N 3.44Å; P91-G93 VanDerWaalsContact C-N 3.32Å
94	L	98.6	Very high	98	Very high	3 Å²	3	33 Å²	33	2%	0.016	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	136.9	172.8	-172.1	73	0	0	0	111.4	H63 L65 L85 Q86 L89 V96 L187 I211	H63-L94 HydrophobicContact CB-CD1 4.05Å; H63-L94 CarbonylContact O-C 3.52Å; H63-L94 VanDerWaalsContact O-CA 3.3Å; H63-L94 WeakPolarHBondContact O-CA 3.39Å; L65-L94 HydrophobicContact CB-CD1 4.27Å; L85-L94 HydrophobicContact CD2-CD2 4.28Å; L85-L94 HydrophobicContact CG-CD2 3.94Å; Q86-L94 PolarHBondContact NE2-O 2.86Å; L89-L94 HydrophobicContact CB-CB 3.65Å; L89-L94 HydrophobicContact CB-CD2 3.61Å; L89-L94 HydrophobicContact CB-CG 4.27Å; L89-L94 HydrophobicContact CD1-CD2 3.81Å; L89-L94 HydrophobicContact CG-CD2 4.26Å; L89-L94 WeakPolarHBondContact O-CB 3.4Å; L89-L94 PolarHBondContact O-N 3.12Å; L89-L94 VanDerWaalsContact O-N 3.17Å; L94-V96 HydrophobicContact CD2-CG2 4.4Å; L94-L187 HydrophobicContact CD1-CD1 4.3Å; L94-I211 HydrophobicContact CD1-CD1 4.37Å; L94-I211 HydrophobicContact CD2-CD1 4.45Å
95	V	98.7	Very high	97.8	Very high	29 Å²	29	33 Å²	33	18%	0.176	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	123.8	170.9	-179.1	0	0	0	0	108.8	Y59 K62 H63 I64 L65 L97	Y59-V95 HydrophobicContact CD1-CG1 4.17Å; Y59-V95 HydrophobicContact CD1-CG2 4.4Å; Y59-V95 HydrophobicContact CE1-CG1 3.86Å; K62-V95 HydrophobicContact CB-CG2 4.07Å; K62-V95 HydrophobicContact CD-CG2 4.41Å; K62-V95 HydrophobicContact CG-CG2 4.12Å; H63-V95 PolarHBondContact O-N 2.74Å; I64-V95 CarbonylContact C-O 3.52Å; I64-V95 VanDerWaalsContact CA-O 3.31Å; I64-V95 WeakPolarHBondContact CA-O 3.42Å; L65-V95 PolarHBondContact N-O 3.13Å; V95-L97 HydrophobicContact CG1-CD2 3.79Å; V95-L97 HydrophobicContact CG1-CG 4.35Å
96	V	98.8	Very high	97.7	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	135.7	174	-178	0	0	0	0	108.8	L65 V67 Q86 L94 F132	L65-V96 HydrophobicContact CB-CG2 4.34Å; L65-V96 HydrophobicContact CD2-CG2 4.23Å; L65-V96 WeakPolarHBondContact O-CA 3.39Å; V67-V96 HydrophobicContact CG2-CG1 4.31Å; Q86-V96 HydrophobicContact CB-CG2 3.92Å; L94-V96 HydrophobicContact CD2-CG2 4.4Å; V96-F132 HydrophobicContact CB-CB 3.81Å; V96-F132 HydrophobicContact CB-CD1 4.39Å; V96-F132 HydrophobicContact CB-CD2 4.35Å; V96-F132 HydrophobicContact CB-CG 3.96Å; V96-F132 HydrophobicContact CG1-CB 4.25Å; V96-F132 HydrophobicContact CG1-CD1 4.2Å; V96-F132 HydrophobicContact CG1-CD2 3.84Å; V96-F132 HydrophobicContact CG1-CE2 4.17Å; V96-F132 HydrophobicContact CG1-CG 3.85Å; V96-F132 HydrophobicContact CG1-CZ 4.49Å; V96-F132 WeakPolarHBondContact O-CB 3.47Å
97	L	98.8	Very high	97.6	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	116.9	179.4	-63.8	-171.9	0	0	0	109.2	F56 Y59 I64 L65 F66 V67 V95 F99 Q133 F135	F56-L97 HydrophobicContact CD1-CD1 4.44Å; F56-L97 HydrophobicContact CE1-CD1 4.39Å; Y59-L97 HydrophobicContact CD2-CD1 4.24Å; Y59-L97 HydrophobicContact CE1-CD2 4.46Å; Y59-L97 HydrophobicContact CE2-CD1 3.82Å; Y59-L97 HydrophobicContact CE2-CD2 3.98Å; Y59-L97 WeakPolarHBondContact OH-CD2 3.43Å; I64-L97 HydrophobicContact CG2-CD1 3.4Å; I64-L97 HydrophobicContact CG2-CG 3.72Å; L65-L97 PolarHBondContact O-N 3.4Å; F66-L97 HydrophobicContact CE1-CD1 3.98Å; F66-L97 HydrophobicContact CE2-CD1 4.41Å; F66-L97 HydrophobicContact CZ-CD1 3.91Å; V67-L97 PolarHBondContact N-O 3.17Å; V95-L97 HydrophobicContact CG1-CD2 3.79Å; V95-L97 HydrophobicContact CG1-CG 4.35Å; L97-F99 HydrophobicContact CB-CE2 3.83Å; L97-Q133 HydrophobicContact CD2-CB 4.05Å; L97-F135 HydrophobicContact CB-CE2 3.83Å; L97-F135 HydrophobicContact CD1-CE2 4.16Å; L97-F135 HydrophobicContact CD1-CZ 4.38Å; L97-F135 HydrophobicContact CD2-CE2 3.79Å; L97-F135 HydrophobicContact CD2-CZ 4.02Å; L97-F135 HydrophobicContact CG-CE2 4.11Å
98	G	98.8	Very high	97.6	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	130.3	-178.7	0	0	0	0	0	112.9	V67 Q133 L134 F135	V67-G98 WeakPolarHBondContact O-CA 3.28Å; G98-Q133 PolarHBondContact N-O 2.7Å; G98-L134 WeakPolarHBondContact O-CA 3.25Å; G98-F135 PolarHBondContact O-N 3.04Å
99	F	98.8	Very high	97.6	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	98.4	180	-68.8	-97.4	0	0	0	110.1	A45 F56 F66 V67 N68 V69 L97 C101 F135 F149	A45-F99 HydrophobicContact CB-CE1 3.79Å; A45-F99 HydrophobicContact CB-CZ 4.42Å; F56-F99 HydrophobicContact CE1-CZ 4.25Å; F56-F99 HydrophobicContact CZ-CE1 4.19Å; F56-F99 AromaticContact CZ-CZ 3.72Å; F56-F99 HydrophobicContact CZ-CZ 3.72Å; F66-F99 HydrophobicContact CD1-CD2 4.17Å; F66-F99 AromaticContact CD1-CE2 3.35Å; F66-F99 HydrophobicContact CD1-CE2 3.35Å; F66-F99 AromaticContact CD1-CZ 3.9Å; F66-F99 HydrophobicContact CD1-CZ 3.9Å; F66-F99 AromaticContact CE1-CE2 3.76Å; F66-F99 HydrophobicContact CE1-CE2 3.76Å; F66-F99 AromaticContact CE1-CZ 3.85Å; F66-F99 HydrophobicContact CE1-CZ 3.85Å; F66-F99 HydrophobicContact CG-CE2 4.41Å; V67-F99 PolarHBondContact O-N 2.67Å; N68-F99 CarbonylContact C-O 3.6Å; N68-F99 VanDerWaalsContact CA-O 3.29Å; N68-F99 WeakPolarHBondContact CA-O 3.45Å; V69-F99 PolarHBondContact N-O 3.01Å; L97-F99 HydrophobicContact CB-CE2 3.83Å; F99-C101 PolarHBondContact O-N 3.46Å; F99-F135 HydrophobicContact CD1-CB 3.86Å; F99-F135 HydrophobicContact CD1-CD2 4.05Å; F99-F135 HydrophobicContact CD1-CG 4.16Å; F99-F135 HydrophobicContact CD2-CD2 4.16Å; F99-F135 HydrophobicContact CE1-CB 3.87Å; F99-F135 AromaticContact CE1-CD2 3.58Å; F99-F135 HydrophobicContact CE1-CD2 3.58Å; F99-F135 HydrophobicContact CE1-CE2 4.32Å; F99-F135 AromaticContact CE1-CG 3.71Å; F99-F135 HydrophobicContact CE1-CG 3.71Å; F99-F135 AromaticContact CE2-CD2 3.67Å; F99-F135 HydrophobicContact CE2-CD2 3.67Å; F99-F135 AromaticContact CE2-CE2 3.96Å; F99-F135 HydrophobicContact CE2-CE2 3.96Å; F99-F135 HydrophobicContact CG-CD2 4.32Å; F99-F135 AromaticContact CZ-CD2 3.36Å; F99-F135 HydrophobicContact CZ-CD2 3.36Å; F99-F135 AromaticContact CZ-CE2 3.7Å; F99-F135 HydrophobicContact CZ-CE2 3.7Å; F99-F135 AromaticContact CZ-CG 3.94Å; F99-F135 HydrophobicContact CZ-CG 3.94Å; F99-F135 HydrophobicContact CZ-CZ 4.48Å; F99-F149 HydrophobicContact CB-CE2 3.57Å; F99-F149 HydrophobicContact CB-CZ 3.76Å; F99-F149 AromaticContact CD1-CE2 3.8Å; F99-F149 HydrophobicContact CD1-CE2 3.8Å; F99-F149 HydrophobicContact CD2-CE2 4.01Å; F99-F149 AromaticContact CD2-CZ 3.93Å; F99-F149 HydrophobicContact CD2-CZ 3.93Å; F99-F149 HydrophobicContact CE1-CE2 4.5Å; F99-F149 AromaticContact CG-CE2 3.51Å; F99-F149 HydrophobicContact CG-CE2 3.51Å; F99-F149 AromaticContact CG-CZ 3.82Å; F99-F149 HydrophobicContact CG-CZ 3.82Å
100	P	98.7	Very high	97.4	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60	135.4	178.6	-19.9	31.9	0	0	0	111.1	V69 E108 I115 F135 K137 G138	V69-P100 HydrophobicContact CG2-CB 4.28Å; V69-P100 HydrophobicContact CG2-CG 4.05Å; V69-P100 WeakPolarHBondContact O-CA 3.16Å; P100-E108 HydrophobicContact CB-CG 3.85Å; P100-I115 HydrophobicContact CB-CD1 3.6Å; P100-I115 HydrophobicContact CG-CD1 3.73Å; P100-I115 HydrophobicContact CG-CG2 4.48Å; P100-F135 WeakPolarHBondContact CD-O 3.48Å; P100-F135 WeakPolarHBondContact CG-O 3.46Å; P100-K137 HydrophobicContact CB-CB 4.16Å; P100-K137 HydrophobicContact CB-CG 4.23Å; P100-K137 VanDerWaalsContact O-CA 3.31Å; P100-K137 WeakPolarHBondContact O-CA 3.25Å; P100-G138 PolarHBondContact O-N 2.67Å
101	C	98.5	Very high	97.4	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	19%	0.186	C	C	.	.			trans	-142.9	130.6	-176.9	-173.3	0	0	0	0	111.6	V69 F99 F104 E108 G138 V140	V69-C101 PolarHBondContact O-N 3.14Å; F99-C101 PolarHBondContact O-N 3.46Å; C101-F104 HydrophobicContact CB-CE2 4.33Å; C101-E108 WeakPolarHBondContact O-CB 3.45Å; C101-G138 PolarHBondContact SG-O 2.97Å; C101-V140 HydrophobicContact CB-CG1 4.14Å
102	N	97.9	Very high	97.4	Very high	38 Å²	38	29 Å²	29	20%	0.203	16%	0.163	C	C	.	.			trans	-100.1	13.9	-178.2	-156.7	27.9	0	0	0	113.7	K106 Q107 E108 K137	N102-K106 WeakPolarHBondContact O-CD 3.49Å; N102-K106 WeakPolarHBondContact OD1-CA 3.4Å; N102-K106 PolarHBondContact OD1-O 2.74Å; N102-Q107 PolarHBondContact OD1-N 3.44Å; N102-E108 HydrophobicContact CB-CB 4.24Å; N102-E108 WeakPolarHBondContact CB-O 3.45Å; N102-E108 VanDerWaalsContact CG-C 3.45Å; N102-E108 WeakPolarHBondContact OD1-CA 3.29Å; N102-E108 PolarHBondContact OD1-N 3.16Å; N102-E108 PolarHBondContact OD1-O 3.25Å; N102-K137 HydrophobicContact CB-CD 4.27Å
103	Q	97.1	Very high	97.4	Very high	4 Å²	4	31.4 Å²	31.4	2%	0.019	18%	0.175	C	C	.	.	S	Bend	trans	-79.6	-20.9	-175.7	-66.6	-174.8	-53.8	0	0	113.4	D139 N141 S170 W171	Q103-D139 VanDerWaalsContact CG-OD1 3.29Å; Q103-D139 WeakPolarHBondContact CG-OD1 3.38Å; Q103-D139 PolarHBondContact NE2-OD1 2.96Å; Q103-N141 PolarHBondContact NE2-O 2.82Å; Q103-S170 PolarHBondContact O-OG 2.92Å; Q103-W171 HydrophobicContact CB-CE3 4.01Å; Q103-W171 HydrophobicContact CB-CZ3 4.35Å
104	F	95.9	Very high	97.4	Very high	1 Å²	1	35.3 Å²	35.3	0%	0.004	19%	0.19	C	C	.	.	S	Bend	trans	-106.4	101.5	-172.4	-50.4	-75.8	0	0	0	110.5	N68 C101 K106 Q107 V140 W171 I179 W181 N182	N68-F104 WeakPolarHBondContact ND2-CE2 3.4Å; C101-F104 HydrophobicContact CB-CE2 4.33Å; F104-K106 PolarHBondContact O-N 3.37Å; F104-K106 VanDerWaalsContact O-N 3.07Å; F104-Q107 WeakPolarHBondContact O-CG 3.45Å; F104-Q107 PolarHBondContact O-N 3.48Å; F104-V140 HydrophobicContact CE2-CG2 3.61Å; F104-V140 HydrophobicContact CZ-CG2 3.57Å; F104-W171 HydrophobicContact CD1-CH2 4.13Å; F104-W171 HydrophobicContact CD1-CZ3 4.01Å; F104-W171 AromaticContact CE1-CH2 3.79Å; F104-W171 HydrophobicContact CE1-CH2 3.79Å; F104-W171 AromaticContact CE1-CZ3 3.87Å; F104-W171 HydrophobicContact CE1-CZ3 3.87Å; F104-I179 HydrophobicContact CE1-CG2 4.1Å; F104-I179 WeakPolarHBondContact CE1-O 3.44Å; F104-I179 HydrophobicContact CE2-CG2 4.11Å; F104-I179 HydrophobicContact CZ-CB 3.97Å; F104-I179 HydrophobicContact CZ-CG2 3.49Å; F104-I179 VanDerWaalsContact CZ-CG2 3.49Å; F104-W181 HydrophobicContact CB-CD2 4.01Å; F104-W181 HydrophobicContact CB-CE3 3.8Å; F104-W181 HydrophobicContact CB-CH2 4.27Å; F104-W181 HydrophobicContact CB-CZ2 4.46Å; F104-W181 HydrophobicContact CB-CZ3 3.94Å; F104-W181 HydrophobicContact CD1-CE3 4.09Å; F104-W181 HydrophobicContact CG-CE3 4.36Å; F104-N182 WeakPolarHBondContact CB-ND2 3.42Å; F104-N182 WeakPolarHBondContact CD2-OD1 3.35Å; F104-N182 PolarHBondContact O-ND2 3.33Å
105	G	94.3	Very high	97.4	Very high	46 Å²	46	35.2 Å²	35.2	47%	0.474	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.7	17.1	179.8	0	0	0	0	0	114.9	Q107	G105-Q107 VanDerWaalsContact C-N 3.27Å; G105-Q107 PolarHBondContact O-N 2.98Å
106	K	95.9	Very high	97.3	Very high	115 Å²	115	36 Å²	36	50%	0.5	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	52	41.5	-174.6	-53.6	-47.7	-167	-172.5	0	113.7	N102 F104 E108 S170	N102-K106 WeakPolarHBondContact O-CD 3.49Å; N102-K106 WeakPolarHBondContact OD1-CA 3.4Å; N102-K106 PolarHBondContact OD1-O 2.74Å; F104-K106 PolarHBondContact O-N 3.37Å; F104-K106 VanDerWaalsContact O-N 3.07Å; K106-E108 VanDerWaalsContact C-N 3.34Å; K106-E108 PolarHBondContact O-N 3.37Å; K106-S170 PolarHBondContact NZ-OG 3.04Å
107	Q	96.8	Very high	97.3	Very high	42 Å²	42	38.7 Å²	38.7	20%	0.196	21%	0.21	C	C	.	.			trans	-87.4	6	-173	-66.2	-177.8	-25.6	0	0	114.8	A70 T71 Y72 C73 N102 F104 G105 P109 N182	A70-Q107 HydrophobicContact CB-CB 3.9Å; T71-Q107 PolarHBondContact N-O 2.79Å; Y72-Q107 WeakPolarHBondContact CB-O 3.41Å; Y72-Q107 PolarHBondContact N-O 2.64Å; Y72-Q107 WeakPolarHBondContact O-CG 3.29Å; C73-Q107 HydrophobicContact CB-CB 4.46Å; C73-Q107 VanDerWaalsContact CB-OE1 3.23Å; C73-Q107 PolarHBondContact SG-OE1 3.31Å; N102-Q107 PolarHBondContact OD1-N 3.44Å; F104-Q107 WeakPolarHBondContact O-CG 3.45Å; F104-Q107 PolarHBondContact O-N 3.48Å; G105-Q107 VanDerWaalsContact C-N 3.27Å; G105-Q107 PolarHBondContact O-N 2.98Å; Q107-P109 VanDerWaalsContact C-CD 3.43Å; Q107-N182 PolarHBondContact OE1-ND2 3.2Å
108	E	98.2	Very high	97.2	Very high	2 Å²	2	39 Å²	39	1%	0.009	21%	0.213	C	C	.	.			trans	-130.7	60	171.1	-164.4	68.4	81.8	0	0	110.3	A70 T71 P100 C101 N102 K106 G110 I115 K137	A70-E108 VanDerWaalsContact C-OE1 3.3Å; A70-E108 WeakPolarHBondContact CA-OE1 3.45Å; A70-E108 HydrophobicContact CB-CB 4.47Å; T71-E108 WeakPolarHBondContact CB-OE2 3.31Å; T71-E108 PolarHBondContact N-OE1 3.27Å; T71-E108 PolarHBondContact OG1-OE1 2.98Å; T71-E108 PolarHBondContact OG1-OE2 2.79Å; P100-E108 HydrophobicContact CB-CG 3.85Å; C101-E108 WeakPolarHBondContact O-CB 3.45Å; N102-E108 HydrophobicContact CB-CB 4.24Å; N102-E108 WeakPolarHBondContact CB-O 3.45Å; N102-E108 VanDerWaalsContact CG-C 3.45Å; N102-E108 WeakPolarHBondContact OD1-CA 3.29Å; N102-E108 PolarHBondContact OD1-N 3.16Å; N102-E108 PolarHBondContact OD1-O 3.25Å; K106-E108 VanDerWaalsContact C-N 3.34Å; K106-E108 PolarHBondContact O-N 3.37Å; E108-G110 PolarHBondContact O-N 2.66Å; E108-I115 HydrophobicContact CG-CD1 4.25Å; E108-K137 HydrophobicContact CB-CD 4.25Å; E108-K137 HydrophobicContact CG-CD 3.73Å; E108-K137 HydrophobicContact CG-CG 4.41Å; E108-K137 VanDerWaalsContact O-CD 3.3Å; E108-K137 WeakPolarHBondContact O-CD 3.46Å; E108-K137 PolarHBondContact O-NZ 3.09Å
109	P	97.5	Very high	97.2	Very high	72 Å²	72	39 Å²	39	47%	0.468	21%	0.213	S	C	.	.			trans	-69.1	-34.4	-171.4	29	-34.7	0	0	0	112.6	Y72 Q107 K137	Y72-P109 HydrophobicContact CD2-CG 4.03Å; Y72-P109 HydrophobicContact CE2-CG 4.15Å; Q107-P109 VanDerWaalsContact C-CD 3.43Å; P109-K137 PolarHBondContact O-NZ 3.31Å; P109-K137 VanDerWaalsContact O-NZ 3.12Å
110	G	95.5	Very high	97.2	Very high	13 Å²	13	42.4 Å²	42.4	13%	0.134	23%	0.228	C	C	.	.	S	Bend	trans	-67.9	150.3	-172.3	0	0	0	0	0	114.1	E108 E114 K137	E108-G110 PolarHBondContact O-N 2.66Å; G110-E114 WeakPolarHBondContact CA-OE2 3.5Å; G110-K137 PolarHBondContact O-NZ 3.24Å
111	D	96.2	Very high	97.2	Very high	91 Å²	91	49.9 Å²	49.9	49%	0.487	26%	0.257	S	S	.	.			trans	-62.8	163.8	174.9	-71.2	-25.2	0	0	0	111.4	K113 E114 I115	D111-K113 HydrophobicContact CB-CG 4.19Å; D111-K113 PolarHBondContact O-N 2.86Å; D111-E114 HydrophobicContact CB-CG 4.35Å; D111-E114 PolarHBondContact N-OE2 3Å; D111-E114 WeakPolarHBondContact O-CA 3.33Å; D111-E114 WeakPolarHBondContact O-CB 3.35Å; D111-E114 PolarHBondContact O-N 2.95Å; D111-I115 PolarHBondContact O-N 2.81Å
112	N	97	Very high	97.2	Very high	39 Å²	39	54 Å²	54	21%	0.209	28%	0.282	C	S	.	.	H	α-helix	trans	-48.3	-40.7	179.7	-74.1	-15.7	0	0	0	113	L48 E114 E136 K137	L48-N112 HydrophobicContact CD1-CB 3.61Å; N112-E114 PolarHBondContact O-N 2.85Å; N112-E136 WeakPolarHBondContact ND2-CB 3.35Å; N112-E136 VanDerWaalsContact ND2-CG 3.32Å; N112-E136 WeakPolarHBondContact ND2-CG 3.48Å; N112-E136 PolarHBondContact ND2-OE1 3.22Å; N112-E136 VanDerWaalsContact ND2-OE1 3.08Å; N112-K137 VanDerWaalsContact OD1-CB 3.25Å; N112-K137 WeakPolarHBondContact OD1-CB 3.37Å; N112-K137 PolarHBondContact OD1-N 3.26Å
113	K	96.3	Very high	97.1	Very high	152 Å²	152	57.7 Å²	57.7	66%	0.661	29%	0.293	S	S	*	.	H	α-helix	trans	-66.4	-18.8	178.1	70.4	-172.8	177	-175.4	0	114.7	D111 P117	D111-K113 HydrophobicContact CB-CG 4.19Å; D111-K113 PolarHBondContact O-N 2.86Å; K113-P117 WeakPolarHBondContact O-CD 3.33Å; K113-P117 WeakPolarHBondContact O-CG 3.25Å
114	E	97.2	Very high	97.2	Very high	95 Å²	95	59.6 Å²	59.6	44%	0.444	31%	0.306	S	S	.	.	H	α-helix	trans	-99.3	-18.2	-173.7	-57.3	-179.5	135.8	0	0	112.8	G110 D111 N112 P117 G118	G110-E114 WeakPolarHBondContact CA-OE2 3.5Å; D111-E114 HydrophobicContact CB-CG 4.35Å; D111-E114 PolarHBondContact N-OE2 3Å; D111-E114 WeakPolarHBondContact O-CA 3.33Å; D111-E114 WeakPolarHBondContact O-CB 3.35Å; D111-E114 PolarHBondContact O-N 2.95Å; N112-E114 PolarHBondContact O-N 2.85Å; E114-P117 WeakPolarHBondContact O-CD 3.14Å; E114-G118 PolarHBondContact O-N 2.93Å
115	I	98	Very high	97.2	Very high	1 Å²	1	60 Å²	60	1%	0.005	31%	0.31	C	S	.	.	H	α-helix	trans	-60.8	-52.9	-175.9	-63.2	178.8	0	0	0	111.1	L48 P100 E108 D111 G118 L119 L134 K137	L48-I115 HydrophobicContact CD1-CD1 3.99Å; L48-I115 HydrophobicContact CD2-CB 4.18Å; L48-I115 HydrophobicContact CD2-CG2 4.23Å; P100-I115 HydrophobicContact CB-CD1 3.6Å; P100-I115 HydrophobicContact CG-CD1 3.73Å; P100-I115 HydrophobicContact CG-CG2 4.48Å; E108-I115 HydrophobicContact CG-CD1 4.25Å; D111-I115 PolarHBondContact O-N 2.81Å; I115-G118 WeakPolarHBondContact O-CA 3.28Å; I115-G118 PolarHBondContact O-N 3.22Å; I115-G118 VanDerWaalsContact O-N 3.13Å; I115-L119 HydrophobicContact CG2-CD1 4.17Å; I115-L119 WeakPolarHBondContact O-CG 3.46Å; I115-L119 PolarHBondContact O-N 3Å; I115-L134 HydrophobicContact CG2-CD1 4.27Å; I115-K137 HydrophobicContact CD1-CB 4.26Å
116	L	97.8	Very high	97.4	Very high	44 Å²	44	62.3 Å²	62.3	23%	0.23	33%	0.334	C	S	.	.	H	α-helix	trans	-64.8	-43.8	179.7	-72.8	169.6	0	0	0	113.3	L48 N49 G118 L119 K120 P130 L134	L48-L116 HydrophobicContact CD2-CD1 4.16Å; L48-L116 HydrophobicContact CD2-CG 3.93Å; N49-L116 WeakPolarHBondContact ND2-CD1 3.46Å; L116-G118 VanDerWaalsContact C-N 3.28Å; L116-G118 PolarHBondContact O-N 2.93Å; L116-L119 HydrophobicContact CD2-CD1 4.45Å; L116-L119 PolarHBondContact O-N 2.97Å; L116-K120 VanDerWaalsContact O-CB 3.28Å; L116-K120 WeakPolarHBondContact O-CB 3.29Å; L116-K120 PolarHBondContact O-N 3Å; L116-P130 HydrophobicContact CD2-CG 4.21Å; L116-L134 HydrophobicContact CD2-CD1 3.99Å
117	P	97.6	Very high	97.5	Very high	58 Å²	58	59 Å²	59	38%	0.377	33%	0.333	S	S	.	.	H	α-helix	trans	-53.7	-43.1	167.6	-29.1	35	0	0	0	113.4	K113 E114 K120 Y121	K113-P117 WeakPolarHBondContact O-CD 3.33Å; K113-P117 WeakPolarHBondContact O-CG 3.25Å; E114-P117 WeakPolarHBondContact O-CD 3.14Å; P117-K120 PolarHBondContact O-N 3.42Å; P117-Y121 HydrophobicContact CB-CD2 4.25Å; P117-Y121 WeakPolarHBondContact O-CB 3.44Å; P117-Y121 WeakPolarHBondContact O-CD2 3.33Å; P117-Y121 PolarHBondContact O-N 3.02Å
118	G	98	Very high	97.6	Very high	5 Å²	5	58.2 Å²	58.2	5%	0.052	33%	0.329	C	S	.	.	H	α-helix	trans	-60.3	-47.7	177.2	0	0	0	0	0	112.2	E114 I115 L116 K120 V122 R123	E114-G118 PolarHBondContact O-N 2.93Å; I115-G118 WeakPolarHBondContact O-CA 3.28Å; I115-G118 PolarHBondContact O-N 3.22Å; I115-G118 VanDerWaalsContact O-N 3.13Å; L116-G118 VanDerWaalsContact C-N 3.28Å; L116-G118 PolarHBondContact O-N 2.93Å; G118-K120 VanDerWaalsContact C-N 3.33Å; G118-K120 PolarHBondContact O-N 2.95Å; G118-V122 CarbonylContact O-C 3.58Å; G118-V122 WeakPolarHBondContact O-CA 3.37Å; G118-V122 VanDerWaalsContact O-CB 3.27Å; G118-V122 WeakPolarHBondContact O-CB 3.48Å; G118-V122 PolarHBondContact O-N 3.41Å; G118-R123 PolarHBondContact O-N 3.21Å
119	L	98.4	Very high	97.6	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-61.2	-40.9	175.5	-66.7	174.8	0	0	0	112.3	T71 T76 Y79 I115 L116 R123 P124 G125 F128 P130 L134	T71-L119 HydrophobicContact CG2-CD2 4.24Å; T76-L119 HydrophobicContact CG2-CD2 4.3Å; Y79-L119 HydrophobicContact CD1-CD2 4.44Å; Y79-L119 HydrophobicContact CD2-CD2 3.8Å; Y79-L119 HydrophobicContact CE1-CD1 3.86Å; Y79-L119 HydrophobicContact CE1-CD2 4.17Å; Y79-L119 HydrophobicContact CE2-CD2 3.47Å; Y79-L119 VanDerWaalsContact CE2-CD2 3.47Å; Y79-L119 HydrophobicContact CG-CD2 4.25Å; I115-L119 HydrophobicContact CG2-CD1 4.17Å; I115-L119 WeakPolarHBondContact O-CG 3.46Å; I115-L119 PolarHBondContact O-N 3Å; L116-L119 HydrophobicContact CD2-CD1 4.45Å; L116-L119 PolarHBondContact O-N 2.97Å; L119-R123 WeakPolarHBondContact CA-O 3.19Å; L119-P124 WeakPolarHBondContact O-CD 3.43Å; L119-G125 PolarHBondContact O-N 2.97Å; L119-F128 HydrophobicContact CB-CD1 4.15Å; L119-F128 HydrophobicContact CB-CE1 4.49Å; L119-P130 HydrophobicContact CD1-CG 3.74Å; L119-L134 HydrophobicContact CD1-CD1 3.9Å
120	K	98.5	Very high	97.6	Very high	73 Å²	73	59.5 Å²	59.5	32%	0.317	34%	0.336	S	S	.	.	H	α-helix	trans	-76.5	-41.2	-174.9	-172.9	176.1	179	-170.2	0	114.2	L116 P117 G118 G125 G127 F128 V129	L116-K120 VanDerWaalsContact O-CB 3.28Å; L116-K120 WeakPolarHBondContact O-CB 3.29Å; L116-K120 PolarHBondContact O-N 3Å; P117-K120 PolarHBondContact O-N 3.42Å; G118-K120 VanDerWaalsContact C-N 3.33Å; G118-K120 PolarHBondContact O-N 2.95Å; K120-G125 CarbonylContact O-C 3.23Å; K120-G125 VanDerWaalsContact O-C 3.23Å; K120-G125 VanDerWaalsContact O-CA 3.32Å; K120-G125 WeakPolarHBondContact O-CA 3.28Å; K120-G127 PolarHBondContact O-N 3.41Å; K120-F128 WeakPolarHBondContact CA-O 3.24Å; K120-F128 WeakPolarHBondContact CB-O 3.37Å; K120-V129 HydrophobicContact CD-CG2 4.42Å
121	Y	98.3	Very high	97.7	Very high	156 Å²	156	62 Å²	62	61%	0.612	35%	0.346	S	S	*	.	H	α-helix	trans	-112.7	-15	-169.1	-57.3	-63.9	0	0	0	114.1	P117	P117-Y121 HydrophobicContact CB-CD2 4.25Å; P117-Y121 WeakPolarHBondContact O-CB 3.44Å; P117-Y121 WeakPolarHBondContact O-CD2 3.33Å; P117-Y121 PolarHBondContact O-N 3.02Å
122	V	97.9	Very high	97.9	Very high	87 Å²	87	58.5 Å²	58.5	53%	0.527	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.4	-66.1	-174.5	-173.3	0	0	0	0	111.8	Y72 G118	Y72-V122 HydrophobicContact CE1-CG1 3.95Å; G118-V122 CarbonylContact O-C 3.58Å; G118-V122 WeakPolarHBondContact O-CA 3.37Å; G118-V122 VanDerWaalsContact O-CB 3.27Å; G118-V122 WeakPolarHBondContact O-CB 3.48Å; G118-V122 PolarHBondContact O-N 3.41Å
123	R	97.4	Very high	97.9	Very high	115 Å²	115	59.7 Å²	59.7	43%	0.434	33%	0.331	S	S	.	.	S	Bend	trans	-153.3	116.8	-177.1	-172.3	-179.2	-66.8	177.7	2.4	110.1	T71 C73 T76 G118 L119 G125	T71-R123 WeakPolarHBondContact O-CD 3.49Å; C73-R123 PolarHBondContact O-NH1 3.39Å; T76-R123 HydrophobicContact CG2-CG 3.85Å; G118-R123 PolarHBondContact O-N 3.21Å; L119-R123 WeakPolarHBondContact CA-O 3.19Å; R123-G125 VanDerWaalsContact C-N 3.3Å; R123-G125 VanDerWaalsContact CA-N 3.34Å
124	P	97.4	Very high	98	Very high	44 Å²	44	52.9 Å²	52.9	29%	0.286	30%	0.302	S	S	.	.	S	Bend	cis	-63.5	-25.1	6.4	-23.5	34.4	0	0	0	115.2	T76 P80 L119 F128	T76-P124 HydrophobicContact CG2-CG 4.44Å; P80-P124 HydrophobicContact CG-CB 4.25Å; P80-P124 HydrophobicContact CG-CG 4.14Å; L119-P124 WeakPolarHBondContact O-CD 3.43Å; P124-F128 HydrophobicContact CB-CB 4.18Å; P124-F128 HydrophobicContact CB-CD1 4.38Å; P124-F128 HydrophobicContact CB-CG 4.19Å; P124-F128 HydrophobicContact CG-CB 4.45Å; P124-F128 HydrophobicContact CG-CD1 3.75Å; P124-F128 HydrophobicContact CG-CE1 4.15Å; P124-F128 HydrophobicContact CG-CG 3.98Å
125	G	97.2	Very high	98.1	Very high	9 Å²	9	48.4 Å²	48.4	9%	0.093	28%	0.281	C	S	.	.			trans	78.2	-160.6	-177	0	0	0	0	0	111.9	L119 K120 R123 G127 F128	L119-G125 PolarHBondContact O-N 2.97Å; K120-G125 CarbonylContact O-C 3.23Å; K120-G125 VanDerWaalsContact O-C 3.23Å; K120-G125 VanDerWaalsContact O-CA 3.32Å; K120-G125 WeakPolarHBondContact O-CA 3.28Å; R123-G125 VanDerWaalsContact C-N 3.3Å; R123-G125 VanDerWaalsContact CA-N 3.34Å; G125-G127 PolarHBondContact O-N 2.89Å; G125-G127 VanDerWaalsContact O-N 3.13Å; G125-F128 WeakPolarHBondContact O-CB 3.4Å; G125-F128 PolarHBondContact O-N 3.39Å
126	G	97.7	Very high	98.1	Very high	95 Å²	95	50.9 Å²	50.9	98%	0.979	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.4	20.7	174.7	0	0	0	0	0	115.1
127	G	98.1	Very high	98.1	Very high	46 Å²	46	51.6 Å²	51.6	47%	0.474	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.2	12	-176.1	0	0	0	0	0	114.1	K120 G125 V129	K120-G127 PolarHBondContact O-N 3.41Å; G125-G127 PolarHBondContact O-N 2.89Å; G125-G127 VanDerWaalsContact O-N 3.13Å; G127-V129 PolarHBondContact O-N 3.07Å
128	F	98.6	Very high	98.1	Very high	26 Å²	26	49.8 Å²	49.8	11%	0.114	29%	0.285	C	S	.	.			trans	-56.6	134.8	-180	175.2	-98.6	0	0	0	112.5	Y79 P80 N83 L119 K120 P124 G125 P130	Y79-F128 AromaticContact CD1-CE1 3.81Å; Y79-F128 HydrophobicContact CD1-CE1 3.81Å; Y79-F128 AromaticContact CD1-CZ 3.98Å; Y79-F128 HydrophobicContact CD1-CZ 3.98Å; Y79-F128 AromaticContact CG-CE1 3.97Å; Y79-F128 HydrophobicContact CG-CE1 3.97Å; Y79-F128 HydrophobicContact CG-CZ 4.18Å; P80-F128 HydrophobicContact CB-CE2 4.36Å; P80-F128 HydrophobicContact CG-CD2 4.07Å; P80-F128 HydrophobicContact CG-CE2 4.03Å; N83-F128 HydrophobicContact CB-CE2 4.44Å; N83-F128 VanDerWaalsContact ND2-CE2 3.35Å; N83-F128 WeakPolarHBondContact ND2-CE2 3.5Å; L119-F128 HydrophobicContact CB-CD1 4.15Å; L119-F128 HydrophobicContact CB-CE1 4.49Å; K120-F128 WeakPolarHBondContact CA-O 3.24Å; K120-F128 WeakPolarHBondContact CB-O 3.37Å; P124-F128 HydrophobicContact CB-CB 4.18Å; P124-F128 HydrophobicContact CB-CD1 4.38Å; P124-F128 HydrophobicContact CB-CG 4.19Å; P124-F128 HydrophobicContact CG-CB 4.45Å; P124-F128 HydrophobicContact CG-CD1 3.75Å; P124-F128 HydrophobicContact CG-CE1 4.15Å; P124-F128 HydrophobicContact CG-CG 3.98Å; G125-F128 WeakPolarHBondContact O-CB 3.4Å; G125-F128 PolarHBondContact O-N 3.39Å; F128-P130 HydrophobicContact CE1-CG 3.79Å; F128-P130 HydrophobicContact CZ-CG 4.24Å
129	V	98.3	Very high	98.1	Very high	85 Å²	85	52.3 Å²	52.3	52%	0.515	30%	0.297	S	S	.	.			trans	-134.9	125.9	172.9	-178.6	0	0	0	0	107.8	N83 K120 G127 N131	N83-V129 PolarHBondContact ND2-O 3.15Å; K120-V129 HydrophobicContact CD-CG2 4.42Å; G127-V129 PolarHBondContact O-N 3.07Å; V129-N131 PolarHBondContact O-N 3.37Å
130	P	98.4	Very high	98.1	Very high	16 Å²	16	52.3 Å²	52.3	10%	0.104	30%	0.297	C	S	.	.			trans	-56.4	133	172.8	-23.5	32.4	0	0	0	111.4	Y79 N83 L116 L119 F128 F132 L134	Y79-P130 HydrophobicContact CD1-CG 4.28Å; Y79-P130 HydrophobicContact CE1-CG 4.18Å; N83-P130 WeakPolarHBondContact OD1-CA 3.31Å; L116-P130 HydrophobicContact CD2-CG 4.21Å; L119-P130 HydrophobicContact CD1-CG 3.74Å; F128-P130 HydrophobicContact CE1-CG 3.79Å; F128-P130 HydrophobicContact CZ-CG 4.24Å; P130-F132 HydrophobicContact CB-CD1 4.28Å; P130-F132 HydrophobicContact CB-CD2 4.44Å; P130-F132 HydrophobicContact CB-CE1 4.11Å; P130-F132 HydrophobicContact CB-CE2 4.28Å; P130-F132 HydrophobicContact CB-CG 4.44Å; P130-F132 HydrophobicContact CB-CZ 4.12Å; P130-F132 PolarHBondContact O-N 2.82Å; P130-L134 HydrophobicContact CG-CD1 4.13Å
131	N	98.3	Very high	98.1	Very high	66 Å²	66	48.8 Å²	48.8	35%	0.353	28%	0.282	S	S	.	.	S	Bend	trans	-91.1	16.4	173.3	71.6	-6	0	0	0	112.5	N83 Q86 V129	N83-N131 VanDerWaalsContact CA-OD1 3.26Å; N83-N131 WeakPolarHBondContact CA-OD1 3.29Å; N83-N131 PolarHBondContact ND2-N 2.97Å; N83-N131 PolarHBondContact O-ND2 3.04Å; N83-N131 PolarHBondContact OD1-N 3.47Å; N83-N131 PolarHBondContact OD1-OD1 2.71Å; N83-N131 VanDerWaalsContact OD1-OD1 3.12Å; Q86-N131 WeakPolarHBondContact CB-OD1 3.37Å; Q86-N131 WeakPolarHBondContact CG-OD1 3.16Å; V129-N131 PolarHBondContact O-N 3.37Å
132	F	98.5	Very high	98.1	Very high	17 Å²	17	41.5 Å²	41.5	8%	0.075	25%	0.254	C	S	.	.	S	Bend	trans	-133.8	160.5	-177.4	58.3	-98.5	0	0	0	110.9	Y79 L82 N83 Q86 V96 P130 L134	Y79-F132 HydrophobicContact CD1-CE1 4.34Å; Y79-F132 HydrophobicContact CD1-CE2 4.48Å; Y79-F132 AromaticContact CD1-CZ 3.61Å; Y79-F132 HydrophobicContact CD1-CZ 3.61Å; Y79-F132 HydrophobicContact CE1-CE2 4.19Å; Y79-F132 AromaticContact CE1-CZ 3.75Å; Y79-F132 HydrophobicContact CE1-CZ 3.75Å; L82-F132 HydrophobicContact CB-CE1 3.71Å; L82-F132 HydrophobicContact CB-CZ 4.1Å; L82-F132 HydrophobicContact CD1-CZ 4.27Å; N83-F132 WeakPolarHBondContact OD1-CD1 3.4Å; N83-F132 WeakPolarHBondContact OD1-CE1 3.46Å; Q86-F132 HydrophobicContact CG-CB 4.33Å; V96-F132 HydrophobicContact CB-CB 3.81Å; V96-F132 HydrophobicContact CB-CD1 4.39Å; V96-F132 HydrophobicContact CB-CD2 4.35Å; V96-F132 HydrophobicContact CB-CG 3.96Å; V96-F132 HydrophobicContact CG1-CB 4.25Å; V96-F132 HydrophobicContact CG1-CD1 4.2Å; V96-F132 HydrophobicContact CG1-CD2 3.84Å; V96-F132 HydrophobicContact CG1-CE2 4.17Å; V96-F132 HydrophobicContact CG1-CG 3.85Å; V96-F132 HydrophobicContact CG1-CZ 4.49Å; V96-F132 WeakPolarHBondContact O-CB 3.47Å; P130-F132 HydrophobicContact CB-CD1 4.28Å; P130-F132 HydrophobicContact CB-CD2 4.44Å; P130-F132 HydrophobicContact CB-CE1 4.11Å; P130-F132 HydrophobicContact CB-CE2 4.28Å; P130-F132 HydrophobicContact CB-CG 4.44Å; P130-F132 HydrophobicContact CB-CZ 4.12Å; P130-F132 PolarHBondContact O-N 2.82Å; F132-L134 HydrophobicContact CD2-CD2 4.27Å; F132-L134 HydrophobicContact CE2-CD2 3.79Å; F132-L134 PolarHBondContact O-N 2.82Å
133	Q	97.8	Very high	98.1	Very high	64 Å²	64	45.4 Å²	45.4	30%	0.299	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	129.1	-173.7	-176.2	65.5	62.2	0	0	110.9	L97 G98 F135	L97-Q133 HydrophobicContact CD2-CB 4.05Å; G98-Q133 PolarHBondContact N-O 2.7Å; Q133-F135 HydrophobicContact CB-CE2 4.39Å; Q133-F135 HydrophobicContact CB-CZ 4.44Å; Q133-F135 HydrophobicContact CG-CE1 4.05Å; Q133-F135 HydrophobicContact CG-CE2 3.87Å; Q133-F135 HydrophobicContact CG-CZ 3.63Å
134	L	98.5	Very high	98.1	Very high	8 Å²	8	48 Å²	48	4%	0.042	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	140.2	163.9	-64.2	-175.5	0	0	0	110.4	L48 V69 Y79 G98 I115 L116 L119 P130 F132	L48-L134 HydrophobicContact CB-CB 4.12Å; L48-L134 WeakPolarHBondContact CB-O 3.34Å; L48-L134 HydrophobicContact CD2-CB 3.83Å; L48-L134 HydrophobicContact CD2-CD1 3.95Å; L48-L134 PolarHBondContact N-O 2.9Å; V69-L134 HydrophobicContact CG2-CD2 4.3Å; Y79-L134 HydrophobicContact CE1-CD2 4.43Å; G98-L134 WeakPolarHBondContact O-CA 3.25Å; I115-L134 HydrophobicContact CG2-CD1 4.27Å; L116-L134 HydrophobicContact CD2-CD1 3.99Å; L119-L134 HydrophobicContact CD1-CD1 3.9Å; P130-L134 HydrophobicContact CG-CD1 4.13Å; F132-L134 HydrophobicContact CD2-CD2 4.27Å; F132-L134 HydrophobicContact CE2-CD2 3.79Å; F132-L134 PolarHBondContact O-N 2.82Å
135	F	98.6	Very high	98.1	Very high	1 Å²	1	46.7 Å²	46.7	0%	0.004	27%	0.271	C	S	.	.	B	Isolated β-bridge	trans	-99.2	169.5	172.2	-63.1	-81.2	0	0	0	110.7	A45 I46 V54 F56 L97 G98 F99 P100 Q133	A45-F135 HydrophobicContact CB-CB 4.19Å; A45-F135 HydrophobicContact CB-CD1 3.35Å; A45-F135 HydrophobicContact CB-CE1 3.89Å; A45-F135 HydrophobicContact CB-CG 3.8Å; I46-F135 CarbonylContact O-C 3.52Å; I46-F135 VanDerWaalsContact O-CA 3.29Å; I46-F135 WeakPolarHBondContact O-CA 3.35Å; I46-F135 WeakPolarHBondContact O-CB 3.3Å; I46-F135 WeakPolarHBondContact O-CD1 3.42Å; V54-F135 HydrophobicContact CB-CE1 3.86Å; V54-F135 HydrophobicContact CG1-CE1 4.15Å; V54-F135 HydrophobicContact CG1-CZ 4.47Å; V54-F135 HydrophobicContact CG2-CE1 4.16Å; F56-F135 HydrophobicContact CE1-CE1 4.11Å; F56-F135 HydrophobicContact CE1-CE2 4.48Å; F56-F135 AromaticContact CE1-CZ 3.89Å; F56-F135 HydrophobicContact CE1-CZ 3.89Å; L97-F135 HydrophobicContact CB-CE2 3.83Å; L97-F135 HydrophobicContact CD1-CE2 4.16Å; L97-F135 HydrophobicContact CD1-CZ 4.38Å; L97-F135 HydrophobicContact CD2-CE2 3.79Å; L97-F135 HydrophobicContact CD2-CZ 4.02Å; L97-F135 HydrophobicContact CG-CE2 4.11Å; G98-F135 PolarHBondContact O-N 3.04Å; F99-F135 HydrophobicContact CD1-CB 3.86Å; F99-F135 HydrophobicContact CD1-CD2 4.05Å; F99-F135 HydrophobicContact CD1-CG 4.16Å; F99-F135 HydrophobicContact CD2-CD2 4.16Å; F99-F135 HydrophobicContact CE1-CB 3.87Å; F99-F135 AromaticContact CE1-CD2 3.58Å; F99-F135 HydrophobicContact CE1-CD2 3.58Å; F99-F135 HydrophobicContact CE1-CE2 4.32Å; F99-F135 AromaticContact CE1-CG 3.71Å; F99-F135 HydrophobicContact CE1-CG 3.71Å; F99-F135 AromaticContact CE2-CD2 3.67Å; F99-F135 HydrophobicContact CE2-CD2 3.67Å; F99-F135 AromaticContact CE2-CE2 3.96Å; F99-F135 HydrophobicContact CE2-CE2 3.96Å; F99-F135 HydrophobicContact CG-CD2 4.32Å; F99-F135 AromaticContact CZ-CD2 3.36Å; F99-F135 HydrophobicContact CZ-CD2 3.36Å; F99-F135 AromaticContact CZ-CE2 3.7Å; F99-F135 HydrophobicContact CZ-CE2 3.7Å; F99-F135 AromaticContact CZ-CG 3.94Å; F99-F135 HydrophobicContact CZ-CG 3.94Å; F99-F135 HydrophobicContact CZ-CZ 4.48Å; P100-F135 WeakPolarHBondContact CD-O 3.48Å; P100-F135 WeakPolarHBondContact CG-O 3.46Å; Q133-F135 HydrophobicContact CB-CE2 4.39Å; Q133-F135 HydrophobicContact CB-CZ 4.44Å; Q133-F135 HydrophobicContact CG-CE1 4.05Å; Q133-F135 HydrophobicContact CG-CE2 3.87Å; Q133-F135 HydrophobicContact CG-CZ 3.63Å
136	E	98.1	Very high	98.2	Very high	54 Å²	54	48.4 Å²	48.4	25%	0.252	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-57.9	149.1	172.6	-68.7	-158.6	137.4	0	0	111.9	I46 N112 G138	I46-E136 HydrophobicContact CB-CB 4.48Å; I46-E136 HydrophobicContact CB-CG 3.88Å; I46-E136 HydrophobicContact CG2-CG 3.76Å; I46-E136 PolarHBondContact O-N 3.38Å; N112-E136 WeakPolarHBondContact ND2-CB 3.35Å; N112-E136 VanDerWaalsContact ND2-CG 3.32Å; N112-E136 WeakPolarHBondContact ND2-CG 3.48Å; N112-E136 PolarHBondContact ND2-OE1 3.22Å; N112-E136 VanDerWaalsContact ND2-OE1 3.08Å; E136-G138 PolarHBondContact O-N 2.62Å
137	K	98.2	Very high	98.2	Very high	59 Å²	59	51.6 Å²	51.6	26%	0.257	26%	0.264	S	S	.	.	P	Polyproline II helix	trans	-63	132.4	176.9	-171.9	170.6	73.9	179.6	0	110.3	P100 N102 E108 P109 G110 N112 I115	P100-K137 HydrophobicContact CB-CB 4.16Å; P100-K137 HydrophobicContact CB-CG 4.23Å; P100-K137 VanDerWaalsContact O-CA 3.31Å; P100-K137 WeakPolarHBondContact O-CA 3.25Å; N102-K137 HydrophobicContact CB-CD 4.27Å; E108-K137 HydrophobicContact CB-CD 4.25Å; E108-K137 HydrophobicContact CG-CD 3.73Å; E108-K137 HydrophobicContact CG-CG 4.41Å; E108-K137 VanDerWaalsContact O-CD 3.3Å; E108-K137 WeakPolarHBondContact O-CD 3.46Å; E108-K137 PolarHBondContact O-NZ 3.09Å; P109-K137 PolarHBondContact O-NZ 3.31Å; P109-K137 VanDerWaalsContact O-NZ 3.12Å; G110-K137 PolarHBondContact O-NZ 3.24Å; N112-K137 VanDerWaalsContact OD1-CB 3.25Å; N112-K137 WeakPolarHBondContact OD1-CB 3.37Å; N112-K137 PolarHBondContact OD1-N 3.26Å; I115-K137 HydrophobicContact CD1-CB 4.26Å
138	G	98	Very high	98.2	Very high	19 Å²	19	49.7 Å²	49.7	20%	0.196	24%	0.243	C	C	.	.			trans	-157.8	171.5	-179.2	0	0	0	0	0	113.6	P100 C101 E136	P100-G138 PolarHBondContact O-N 2.67Å; C101-G138 PolarHBondContact SG-O 2.97Å; E136-G138 PolarHBondContact O-N 2.62Å
139	D	98.5	Very high	98.2	Very high	58 Å²	58	48.4 Å²	48.4	31%	0.31	24%	0.237	S	C	.	.			trans	-78.6	145.8	176.1	-75.6	-12.8	0	0	0	110.5	Q103 Q146	Q103-D139 VanDerWaalsContact CG-OD1 3.29Å; Q103-D139 WeakPolarHBondContact CG-OD1 3.38Å; Q103-D139 PolarHBondContact NE2-OD1 2.96Å; D139-Q146 WeakPolarHBondContact O-CG 3.23Å; D139-Q146 PolarHBondContact O-N 2.91Å; D139-Q146 PolarHBondContact O-NE2 2.87Å
140	V	98.5	Very high	98.2	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	22%	0.223	C	C	.	.	S	Bend	trans	-118.6	-11.7	175.6	-52.3	0	0	0	0	112.2	N68 C101 F104 E145 F149 K153 I179	N68-V140 HydrophobicContact CB-CG1 4.24Å; C101-V140 HydrophobicContact CB-CG1 4.14Å; F104-V140 HydrophobicContact CE2-CG2 3.61Å; F104-V140 HydrophobicContact CZ-CG2 3.57Å; V140-E145 VanDerWaalsContact C-CB 3.49Å; V140-F149 HydrophobicContact CB-CB 4.17Å; V140-F149 HydrophobicContact CB-CD1 4.19Å; V140-F149 HydrophobicContact CB-CD2 3.95Å; V140-F149 HydrophobicContact CB-CE2 4.37Å; V140-F149 HydrophobicContact CB-CG 3.84Å; V140-F149 HydrophobicContact CG1-CD1 4.3Å; V140-F149 HydrophobicContact CG1-CD2 3.5Å; V140-F149 HydrophobicContact CG1-CE1 4.3Å; V140-F149 HydrophobicContact CG1-CE2 3.52Å; V140-F149 HydrophobicContact CG1-CG 3.9Å; V140-F149 HydrophobicContact CG1-CZ 3.93Å; V140-K153 VanDerWaalsContact O-CE 3.25Å; V140-K153 WeakPolarHBondContact O-CE 3.49Å; V140-K153 PolarHBondContact O-NZ 2.88Å; V140-I179 HydrophobicContact CB-CD1 3.75Å; V140-I179 HydrophobicContact CG2-CB 4.08Å; V140-I179 HydrophobicContact CG2-CD1 3.65Å; V140-I179 HydrophobicContact CG2-CG1 4.47Å; V140-I179 HydrophobicContact CG2-CG2 4.32Å
141	N	98.3	Very high	98.2	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	22%	0.221	C	C	.	.	S	Bend	trans	-129.1	162.5	173.1	-63.5	-30.4	0	0	0	111.8	Q103 E145 K153 W171 D178 I179	Q103-N141 PolarHBondContact NE2-O 2.82Å; N141-E145 VanDerWaalsContact CA-OE2 3.31Å; N141-E145 WeakPolarHBondContact CA-OE2 3.29Å; N141-K153 WeakPolarHBondContact OD1-CD 3.46Å; N141-K153 PolarHBondContact OD1-NZ 3.09Å; N141-W171 HydrophobicContact CB-CB 4.34Å; N141-W171 VanDerWaalsContact CB-CD1 3.49Å; N141-W171 HydrophobicContact CB-CD2 3.73Å; N141-W171 HydrophobicContact CB-CG 3.61Å; N141-W171 HydrophobicContact CB-CZ2 4.43Å; N141-W171 VanDerWaalsContact ND2-CZ2 3.35Å; N141-W171 WeakPolarHBondContact ND2-CZ2 3.49Å; N141-D178 WeakPolarHBondContact OD1-CA 3.47Å; N141-D178 PolarHBondContact OD1-OD1 3.08Å; N141-I179 PolarHBondContact ND2-O 3.07Å; N141-I179 PolarHBondContact OD1-N 3.33Å
142	G	97.9	Very high	98.2	Very high	2 Å²	2	42.6 Å²	42.6	2%	0.021	20%	0.204	C	C	.	.	S	Bend	trans	82.9	-171.6	176.6	0	0	0	0	0	114.3	K144 E145 D172	G142-K144 VanDerWaalsContact C-N 3.25Å; G142-K144 PolarHBondContact O-N 2.93Å; G142-E145 PolarHBondContact N-OE2 3.01Å; G142-E145 WeakPolarHBondContact O-CB 3.45Å; G142-E145 VanDerWaalsContact O-CG 3.23Å; G142-E145 WeakPolarHBondContact O-CG 3.23Å; G142-E145 PolarHBondContact O-N 3.18Å; G142-D172 CarbonylContact C-O 3.58Å; G142-D172 VanDerWaalsContact CA-O 3.23Å; G142-D172 WeakPolarHBondContact CA-O 3.31Å
143	E	97.6	Very high	98.1	Very high	169 Å²	169	41.9 Å²	41.9	79%	0.79	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-32.1	-174.9	-170.8	-178.7	-169.1	0	0	113.1	D172	E143-D172 PolarHBondContact N-O 3.48Å
144	K	97.7	Very high	98	Very high	170 Å²	170	43.3 Å²	43.3	74%	0.739	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.1	12	-176.4	-62.1	-176.7	-179	179.9	0	113.9	G142	G142-K144 VanDerWaalsContact C-N 3.25Å; G142-K144 PolarHBondContact O-N 2.93Å
145	E	98.3	Very high	98	Very high	17 Å²	17	43 Å²	43	8%	0.079	21%	0.205	C	C	.	.			trans	-59	142	179.2	69.7	-168.2	-158.9	0	0	111.8	V140 N141 G142 K147 S150 K153 K175	V140-E145 VanDerWaalsContact C-CB 3.49Å; N141-E145 VanDerWaalsContact CA-OE2 3.31Å; N141-E145 WeakPolarHBondContact CA-OE2 3.29Å; G142-E145 PolarHBondContact N-OE2 3.01Å; G142-E145 WeakPolarHBondContact O-CB 3.45Å; G142-E145 VanDerWaalsContact O-CG 3.23Å; G142-E145 WeakPolarHBondContact O-CG 3.23Å; G142-E145 PolarHBondContact O-N 3.18Å; E145-K147 PolarHBondContact O-N 3.22Å; E145-S150 VanDerWaalsContact CD-OG 3.28Å; E145-S150 WeakPolarHBondContact CG-OG 3.45Å; E145-S150 WeakPolarHBondContact OE1-CA 3.23Å; E145-S150 WeakPolarHBondContact OE1-CB 3.47Å; E145-S150 PolarHBondContact OE1-OG 3.48Å; E145-K153 IonicContact OE1-NZ 3.87Å; E145-K153 IonicContact OE2-NZ 2.67Å; E145-K153 PolarHBondContact OE2-NZ 3.32Å; E145-K175 IonicContact OE1-NZ 3.49Å; E145-K175 PolarHBondContact OE1-NZ 3.45Å; E145-K175 IonicContact OE2-NZ 3.31Å
146	Q	98.4	Very high	97.9	Very high	45 Å²	45	42.9 Å²	42.9	21%	0.21	21%	0.205	C	C	.	.			trans	-60.2	132.2	174.1	-67.9	165.8	87.2	0	0	109.7	D139 V148 F149 S150	D139-Q146 WeakPolarHBondContact O-CG 3.23Å; D139-Q146 PolarHBondContact O-N 2.91Å; D139-Q146 PolarHBondContact O-NE2 2.87Å; Q146-V148 HydrophobicContact CB-CG1 4.41Å; Q146-V148 PolarHBondContact O-N 2.85Å; Q146-V148 VanDerWaalsContact O-N 3.08Å; Q146-F149 HydrophobicContact CB-CD2 4.25Å; Q146-F149 WeakPolarHBondContact O-CA 3.46Å; Q146-F149 WeakPolarHBondContact O-CB 3.22Å; Q146-F149 PolarHBondContact O-N 2.89Å; Q146-S150 PolarHBondContact O-N 3.21Å
147	K	97.9	Very high	97.8	Very high	162 Å²	162	42 Å²	42	70%	0.704	20%	0.204	S	C	*	.	H	α-helix	trans	-54.7	-34.1	-173.4	-65	-176.8	179.7	178.2	0	113.8	Y43 E145 F149 S150 F151	Y43-K147 HydrophobicContact CD1-CB 3.82Å; Y43-K147 HydrophobicContact CE1-CB 3.92Å; E145-K147 PolarHBondContact O-N 3.22Å; K147-F149 VanDerWaalsContact C-N 3.31Å; K147-F149 PolarHBondContact O-N 2.92Å; K147-S150 WeakPolarHBondContact O-CB 3.49Å; K147-S150 PolarHBondContact O-N 3.08Å; K147-F151 PolarHBondContact O-N 3.39Å
148	V	98.3	Very high	97.5	Very high	5 Å²	5	40.5 Å²	40.5	3%	0.03	20%	0.198	C	C	.	.	H	α-helix	trans	-62.4	-38	174.9	67.3	0	0	0	0	112	Y43 F56 F66 Q146 F151 L152	Y43-V148 HydrophobicContact CD2-CB 4.24Å; Y43-V148 HydrophobicContact CD2-CG2 4.13Å; Y43-V148 HydrophobicContact CG-CB 3.99Å; Y43-V148 HydrophobicContact CG-CG2 4.34Å; F56-V148 HydrophobicContact CD2-CG2 4.13Å; F56-V148 HydrophobicContact CE2-CB 3.86Å; F56-V148 HydrophobicContact CE2-CG1 4.05Å; F56-V148 HydrophobicContact CE2-CG2 3.63Å; F66-V148 HydrophobicContact CE1-CG2 3.89Å; F66-V148 HydrophobicContact CZ-CG2 4.28Å; Q146-V148 HydrophobicContact CB-CG1 4.41Å; Q146-V148 PolarHBondContact O-N 2.85Å; Q146-V148 VanDerWaalsContact O-N 3.08Å; V148-F151 WeakPolarHBondContact O-CB 3.45Å; V148-F151 PolarHBondContact O-N 2.95Å; V148-L152 HydrophobicContact CG2-CD1 4.09Å; V148-L152 HydrophobicContact CG2-CG 4.32Å; V148-L152 WeakPolarHBondContact O-CB 3.43Å; V148-L152 VanDerWaalsContact O-CG 3.24Å; V148-L152 WeakPolarHBondContact O-CG 3.39Å; V148-L152 PolarHBondContact O-N 3.04Å
149	F	98.6	Very high	97.3	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-73.4	-32.3	175.3	-81.4	-70.3	0	0	0	112.1	N68 F99 V140 Q146 K147 F151 L152 K153 I179 F186	N68-F149 HydrophobicContact CB-CE1 4.45Å; N68-F149 HydrophobicContact CB-CZ 4.18Å; F99-F149 HydrophobicContact CB-CE2 3.57Å; F99-F149 HydrophobicContact CB-CZ 3.76Å; F99-F149 AromaticContact CD1-CE2 3.8Å; F99-F149 HydrophobicContact CD1-CE2 3.8Å; F99-F149 HydrophobicContact CD2-CE2 4.01Å; F99-F149 AromaticContact CD2-CZ 3.93Å; F99-F149 HydrophobicContact CD2-CZ 3.93Å; F99-F149 HydrophobicContact CE1-CE2 4.5Å; F99-F149 AromaticContact CG-CE2 3.51Å; F99-F149 HydrophobicContact CG-CE2 3.51Å; F99-F149 AromaticContact CG-CZ 3.82Å; F99-F149 HydrophobicContact CG-CZ 3.82Å; V140-F149 HydrophobicContact CB-CB 4.17Å; V140-F149 HydrophobicContact CB-CD1 4.19Å; V140-F149 HydrophobicContact CB-CD2 3.95Å; V140-F149 HydrophobicContact CB-CE2 4.37Å; V140-F149 HydrophobicContact CB-CG 3.84Å; V140-F149 HydrophobicContact CG1-CD1 4.3Å; V140-F149 HydrophobicContact CG1-CD2 3.5Å; V140-F149 HydrophobicContact CG1-CE1 4.3Å; V140-F149 HydrophobicContact CG1-CE2 3.52Å; V140-F149 HydrophobicContact CG1-CG 3.9Å; V140-F149 HydrophobicContact CG1-CZ 3.93Å; Q146-F149 HydrophobicContact CB-CD2 4.25Å; Q146-F149 WeakPolarHBondContact O-CA 3.46Å; Q146-F149 WeakPolarHBondContact O-CB 3.22Å; Q146-F149 PolarHBondContact O-N 2.89Å; K147-F149 VanDerWaalsContact C-N 3.31Å; K147-F149 PolarHBondContact O-N 2.92Å; F149-F151 VanDerWaalsContact C-N 3.32Å; F149-F151 PolarHBondContact O-N 3.1Å; F149-L152 HydrophobicContact CD1-CD1 4.27Å; F149-L152 HydrophobicContact CE1-CD1 4.43Å; F149-K153 VanDerWaalsContact O-CB 3.24Å; F149-K153 WeakPolarHBondContact O-CB 3.44Å; F149-K153 WeakPolarHBondContact O-CG 3.47Å; F149-K153 PolarHBondContact O-N 3.4Å; F149-I179 HydrophobicContact CD1-CD1 3.42Å; F149-I179 VanDerWaalsContact CD1-CD1 3.42Å; F149-I179 HydrophobicContact CE1-CD1 3.71Å; F149-I179 HydrophobicContact CG-CD1 4.27Å; F149-F186 HydrophobicContact CE1-CE2 4.49Å
150	S	97.6	Very high	96.8	Very high	30 Å²	30	37.1 Å²	37.1	21%	0.21	18%	0.176	C	C	.	.	H	α-helix	trans	-54.9	-52.1	166.8	-55.1	0	0	0	0	110.1	E145 Q146 K147 K153 H154	E145-S150 VanDerWaalsContact CD-OG 3.28Å; E145-S150 WeakPolarHBondContact CG-OG 3.45Å; E145-S150 WeakPolarHBondContact OE1-CA 3.23Å; E145-S150 WeakPolarHBondContact OE1-CB 3.47Å; E145-S150 PolarHBondContact OE1-OG 3.48Å; Q146-S150 PolarHBondContact O-N 3.21Å; K147-S150 WeakPolarHBondContact O-CB 3.49Å; K147-S150 PolarHBondContact O-N 3.08Å; S150-K153 PolarHBondContact O-N 2.91Å; S150-H154 PolarHBondContact O-N 3.47Å; S150-H154 VanDerWaalsContact O-N 3.16Å; S150-H154 PolarHBondContact O-ND1 3.01Å
151	F	97.9	Very high	96.2	Very high	15 Å²	15	42.7 Å²	42.7	7%	0.066	20%	0.202	C	C	.	.	H	α-helix	trans	-58.3	-54.5	179.2	171.2	-111.8	0	0	0	112.7	E36 G38 I40 Y43 K147 V148 F149 K153 H154 S155 P194	E36-F151 HydrophobicContact CG-CE2 3.71Å; E36-F151 HydrophobicContact CG-CZ 3.98Å; G38-F151 WeakPolarHBondContact O-CZ 3.46Å; I40-F151 HydrophobicContact CG2-CD1 4.07Å; I40-F151 HydrophobicContact CG2-CE1 3.71Å; Y43-F151 HydrophobicContact CD2-CD1 4.44Å; Y43-F151 HydrophobicContact CE1-CB 4.44Å; Y43-F151 HydrophobicContact CE2-CB 3.74Å; Y43-F151 AromaticContact CE2-CD1 3.65Å; Y43-F151 HydrophobicContact CE2-CD1 3.65Å; Y43-F151 HydrophobicContact CE2-CD2 4.35Å; Y43-F151 HydrophobicContact CE2-CE1 4.37Å; Y43-F151 AromaticContact CE2-CG 3.64Å; Y43-F151 HydrophobicContact CE2-CG 3.64Å; Y43-F151 AromaticContact CZ-CG 3.87Å; Y43-F151 WeakPolarHBondContact OH-CB 3.42Å; K147-F151 PolarHBondContact O-N 3.39Å; V148-F151 WeakPolarHBondContact O-CB 3.45Å; V148-F151 PolarHBondContact O-N 2.95Å; F149-F151 VanDerWaalsContact C-N 3.32Å; F149-F151 PolarHBondContact O-N 3.1Å; F151-K153 VanDerWaalsContact C-N 3.33Å; F151-K153 PolarHBondContact O-N 3.39Å; F151-H154 PolarHBondContact O-N 2.87Å; F151-S155 WeakPolarHBondContact O-CB 3.21Å; F151-S155 PolarHBondContact O-N 3.36Å; F151-S155 PolarHBondContact O-OG 2.73Å; F151-P194 HydrophobicContact CD1-CG 4.42Å; F151-P194 HydrophobicContact CE1-CG 3.58Å; F151-P194 HydrophobicContact CZ-CG 3.81Å
152	L	98.4	Very high	95.6	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-58.3	-42.5	-178.8	-69.9	172.6	0	0	0	112.5	I40 F66 V148 F149 S155 F186 V188 P194	I40-L152 HydrophobicContact CG2-CD2 4.25Å; F66-L152 HydrophobicContact CB-CD1 3.97Å; F66-L152 HydrophobicContact CD1-CD1 3.79Å; F66-L152 HydrophobicContact CD2-CD1 4.15Å; F66-L152 HydrophobicContact CE1-CD1 4.34Å; F66-L152 HydrophobicContact CG-CD1 3.7Å; V148-L152 HydrophobicContact CG2-CD1 4.09Å; V148-L152 HydrophobicContact CG2-CG 4.32Å; V148-L152 WeakPolarHBondContact O-CB 3.43Å; V148-L152 VanDerWaalsContact O-CG 3.24Å; V148-L152 WeakPolarHBondContact O-CG 3.39Å; V148-L152 PolarHBondContact O-N 3.04Å; F149-L152 HydrophobicContact CD1-CD1 4.27Å; F149-L152 HydrophobicContact CE1-CD1 4.43Å; L152-S155 PolarHBondContact O-N 3.29Å; L152-F186 HydrophobicContact CB-CD1 3.85Å; L152-F186 HydrophobicContact CB-CD2 4.5Å; L152-F186 HydrophobicContact CB-CE1 3.95Å; L152-F186 HydrophobicContact CB-CG 4.13Å; L152-F186 HydrophobicContact CB-CZ 4.36Å; L152-F186 HydrophobicContact CD1-CB 4.39Å; L152-F186 HydrophobicContact CD1-CD2 4.47Å; L152-F186 HydrophobicContact CD1-CG 4.37Å; L152-F186 HydrophobicContact CD2-CB 4.18Å; L152-F186 HydrophobicContact CD2-CG 4.47Å; L152-F186 VanDerWaalsContact O-CE1 3.28Å; L152-F186 WeakPolarHBondContact O-CE1 3.31Å; L152-V188 HydrophobicContact CD2-CG2 3.71Å; L152-P194 HydrophobicContact CD2-CB 4.42Å; L152-P194 HydrophobicContact CD2-CG 3.91Å
153	K	97.7	Very high	94.9	Very high	2 Å²	2	49.6 Å²	49.6	1%	0.009	24%	0.237	C	C	.	.	H	α-helix	trans	-66.5	-39.8	-179.9	-72.8	-173.2	-49.3	174.4	0	112.7	V140 N141 E145 F149 S150 F151 S155 H177 D178 I179 F186	V140-K153 VanDerWaalsContact O-CE 3.25Å; V140-K153 WeakPolarHBondContact O-CE 3.49Å; V140-K153 PolarHBondContact O-NZ 2.88Å; N141-K153 WeakPolarHBondContact OD1-CD 3.46Å; N141-K153 PolarHBondContact OD1-NZ 3.09Å; E145-K153 IonicContact OE1-NZ 3.87Å; E145-K153 IonicContact OE2-NZ 2.67Å; E145-K153 PolarHBondContact OE2-NZ 3.32Å; F149-K153 VanDerWaalsContact O-CB 3.24Å; F149-K153 WeakPolarHBondContact O-CB 3.44Å; F149-K153 WeakPolarHBondContact O-CG 3.47Å; F149-K153 PolarHBondContact O-N 3.4Å; S150-K153 PolarHBondContact O-N 2.91Å; F151-K153 VanDerWaalsContact C-N 3.33Å; F151-K153 PolarHBondContact O-N 3.39Å; K153-S155 VanDerWaalsContact C-N 3.34Å; K153-H177 HydrophobicContact CB-CB 4.21Å; K153-H177 WeakPolarHBondContact CD-O 3.23Å; K153-H177 WeakPolarHBondContact O-CB 3.48Å; K153-H177 PolarHBondContact O-ND1 3.18Å; K153-D178 IonicContact NZ-OD1 3.26Å; K153-D178 PolarHBondContact NZ-OD1 3.36Å; K153-I179 HydrophobicContact CD-CD1 4.14Å; K153-I179 HydrophobicContact CD-CG1 3.9Å; K153-I179 HydrophobicContact CG-CD1 4.25Å; K153-I179 HydrophobicContact CG-CG1 4.05Å; K153-F186 HydrophobicContact CG-CZ 4.16Å
154	H	96.2	Very high	93.9	Very high	94 Å²	94	43.6 Å²	43.6	44%	0.435	22%	0.22	S	C	.	.	H	α-helix	trans	-74.1	-28.1	177.5	-69	96.6	0	0	0	112.4	H33 S150 F151 C156	H33-H154 PolarHBondContact CD2-O 2.83Å; S150-H154 PolarHBondContact O-N 3.47Å; S150-H154 VanDerWaalsContact O-N 3.16Å; S150-H154 PolarHBondContact O-ND1 3.01Å; F151-H154 PolarHBondContact O-N 2.87Å; H154-C156 PolarHBondContact O-N 3.09Å
155	S	97.4	Very high	92.9	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-70.5	-15.6	-179.5	-56.5	0	0	0	0	113.5	C32 H33 E36 F151 L152 K153	C32-S155 WeakPolarHBondContact CA-O 3.45Å; C32-S155 VanDerWaalsContact CB-O 3.25Å; C32-S155 WeakPolarHBondContact CB-O 3.5Å; H33-S155 VanDerWaalsContact CD2-C 3.45Å; H33-S155 PolarHBondContact CD2-O 3.23Å; H33-S155 PolarHBondContact N-O 3.1Å; E36-S155 PolarHBondContact OE2-OG 3.49Å; F151-S155 WeakPolarHBondContact O-CB 3.21Å; F151-S155 PolarHBondContact O-N 3.36Å; F151-S155 PolarHBondContact O-OG 2.73Å; L152-S155 PolarHBondContact O-N 3.29Å; K153-S155 VanDerWaalsContact C-N 3.34Å
156	C	96.5	Very high	91.9	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.247	C	C	.	.	S	Bend	trans	-139.2	140.5	-173.3	-40.7	0	0	0	0	112.3	C32 H154 H177 R197	C32-C156 HydrophobicContact CB-CB 3.92Å; C32-C156 WeakPolarHBondContact CB-SG 3.39Å; C32-C156 WeakPolarHBondContact SG-CB 3.09Å; C32-C156 CovalentContact SG-SG 2.03Å; C32-C156 PolarHBondContact SG-SG 2.82Å; H154-C156 PolarHBondContact O-N 3.09Å; C156-H177 PolarHBondContact O-ND1 2.92Å; C156-R197 HydrophobicContact CB-CB 3.8Å; C156-R197 PolarHBondContact O-NH1 3.12Å
157	P	95.7	Very high	90.9	Very high	35 Å²	35	55.8 Å²	55.8	23%	0.227	28%	0.28	C	S	.	.			trans	-55.2	149.2	167.3	-23.2	33.8	0	0	0	111.7	M30 D31 R197	M30-P157 HydrophobicContact CB-CB 4.17Å; M30-P157 HydrophobicContact CE-CB 3.54Å; M30-P157 HydrophobicContact CE-CG 4.17Å; M30-P157 HydrophobicContact CG-CB 4.22Å; D31-P157 VanDerWaalsContact O-CD 3.26Å; D31-P157 WeakPolarHBondContact O-CD 3.47Å; P157-R197 WeakPolarHBondContact O-CD 3.29Å
158	H	93.3	Very high	90.1	Very high	28 Å²	28	50.3 Å²	50.3	13%	0.13	26%	0.262	C	S	.	.			trans	-74.2	142.8	174.7	58.4	75.7	0	0	0	111.1	S160 E161 V176 R180	H158-S160 VanDerWaalsContact C-N 3.32Å; H158-S160 PolarHBondContact ND1-O 2.89Å; H158-S160 PolarHBondContact O-N 3.41Å; H158-E161 IonicContact CE1-OE1 2.55Å; H158-E161 IonicContact CE1-OE2 2.78Å; H158-V176 PolarHBondContact CD2-O 2.86Å; H158-R180 PolarHBondContact CD2-NH2 3.28Å; H158-R180 PolarHBondContact ND1-NH2 3.3Å
159	P	92	Very high	89.6	Confident	2 Å²	2	51.5 Å²	51.5	1%	0.013	27%	0.268	C	S	.	.	S	Bend	trans	-78.8	-13.8	-178.1	31.8	-35.8	0	0	0	113.6	E26 T27 M30	E26-P159 WeakPolarHBondContact CG-O 3.41Å; T27-P159 PolarHBondContact N-O 3.07Å; T27-P159 WeakPolarHBondContact O-CB 3.09Å; T27-P159 PolarHBondContact OG1-O 3.39Å; T27-P159 VanDerWaalsContact OG1-O 3.07Å; M30-P159 HydrophobicContact CG-CB 4.17Å
160	S	88.3	Confident	89.2	Confident	4 Å²	4	54.1 Å²	54.1	3%	0.028	29%	0.287	C	S	.	.			trans	-136.4	134.3	-179.3	-165.4	0	0	0	0	112.3	E26 H158 I162 R180	E26-S160 WeakPolarHBondContact OE2-CB 3.48Å; E26-S160 PolarHBondContact OE2-OG 3.37Å; H158-S160 VanDerWaalsContact C-N 3.32Å; H158-S160 PolarHBondContact ND1-O 2.89Å; H158-S160 PolarHBondContact O-N 3.41Å; S160-I162 PolarHBondContact O-N 2.79Å; S160-I162 PolarHBondContact OG-N 2.9Å; S160-R180 PolarHBondContact O-NE 3.25Å; S160-R180 PolarHBondContact O-NH2 2.97Å; S160-R180 VanDerWaalsContact O-NH2 3.11Å
161	E	86.4	Confident	89.1	Confident	116 Å²	116	53.8 Å²	53.8	54%	0.542	28%	0.281	S	S	.	.	S	Bend	trans	-66.9	-18.6	169.7	-62	-64.4	154.4	0	0	112	K24 H158	K24-E161 HydrophobicContact CB-CG 4.06Å; K24-E161 HydrophobicContact CD-CG 4.37Å; H158-E161 IonicContact CE1-OE1 2.55Å; H158-E161 IonicContact CE1-OE2 2.78Å
162	I	85.1	Confident	89	Confident	119 Å²	119	59 Å²	59	61%	0.61	31%	0.309	S	S	*	.			trans	-96.9	114.7	-177.8	-58.6	171	0	0	0	109	S160	S160-I162 PolarHBondContact O-N 2.79Å; S160-I162 PolarHBondContact OG-N 2.9Å
163	L	83.9	Confident	88.9	Confident	29 Å²	29	61.7 Å²	61.7	15%	0.152	33%	0.327	C	S	.	.			trans	-80.6	-18.6	173.5	-171.2	55.7	0	0	0	113.6	I169 W171 V174 D178 R180	L163-I169 HydrophobicContact CD2-CD1 3.81Å; L163-I169 HydrophobicContact CG-CD1 4.06Å; L163-W171 HydrophobicContact CD1-CZ2 3.92Å; L163-W171 HydrophobicContact CD2-CZ2 4.2Å; L163-W171 HydrophobicContact CG-CZ2 4.12Å; L163-V174 HydrophobicContact CD2-CG1 3.28Å; L163-D178 HydrophobicContact CD1-CB 3.85Å; L163-D178 HydrophobicContact CD2-CB 4.45Å; L163-R180 VanDerWaalsContact CD1-CD 3.44Å
164	G	77.2	Confident	88.8	Confident	43 Å²	43	64.8 Å²	64.8	44%	0.443	35%	0.346	S	S	.	.			trans	119.6	-169.8	-168.5	0	0	0	0	0	110.2
165	T	76.4	Confident	88.7	Confident	89 Å²	89	63.5 Å²	63.5	55%	0.546	34%	0.339	S	S	.	.			trans	-88.2	148.7	174.1	69.3	0	0	0	0	109.9	K167 S168 I169	T165-K167 PolarHBondContact O-N 3.29Å; T165-S168 PolarHBondContact N-OG 3.17Å; T165-S168 PolarHBondContact O-N 2.87Å; T165-S168 PolarHBondContact O-OG 3.45Å; T165-S168 PolarHBondContact OG1-N 2.9Å; T165-S168 PolarHBondContact OG1-OG 3.04Å; T165-I169 PolarHBondContact O-N 3.45Å
166	F	76	Confident	88.5	Confident	189 Å²	189	68.2 Å²	68.2	83%	0.829	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-54.7	-30.2	175.1	-71.5	-73.1	0	0	0	113	S168 I169	F166-S168 VanDerWaalsContact C-N 3.29Å; F166-S168 PolarHBondContact O-N 3.23Å; F166-I169 HydrophobicContact CD1-CD1 4.47Å; F166-I169 PolarHBondContact O-N 3.31Å
167	K	78.6	Confident	88.5	Confident	210 Å²	210	70.8 Å²	70.8	91%	0.913	38%	0.379	S	S	*	.	G	3₁₀ helix	trans	-69.2	-23.2	176	-67.7	-176.8	178.2	-177.8	0	114	T165	T165-K167 PolarHBondContact O-N 3.29Å
168	S	80.5	Confident	88.5	Confident	46 Å²	46	69.1 Å²	69.1	32%	0.322	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-94	-11.6	179.9	49.5	0	0	0	0	113.8	T165 F166	T165-S168 PolarHBondContact N-OG 3.17Å; T165-S168 PolarHBondContact O-N 2.87Å; T165-S168 PolarHBondContact O-OG 3.45Å; T165-S168 PolarHBondContact OG1-N 2.9Å; T165-S168 PolarHBondContact OG1-OG 3.04Å; F166-S168 VanDerWaalsContact C-N 3.29Å; F166-S168 PolarHBondContact O-N 3.23Å
169	I	87.8	Confident	88.7	Confident	31 Å²	31	67.8 Å²	67.8	16%	0.159	36%	0.362	C	S	.	.			trans	-80.3	121.1	178.1	-66	173.9	0	0	0	108.3	L163 T165 F166 W171 V174	L163-I169 HydrophobicContact CD2-CD1 3.81Å; L163-I169 HydrophobicContact CG-CD1 4.06Å; T165-I169 PolarHBondContact O-N 3.45Å; F166-I169 HydrophobicContact CD1-CD1 4.47Å; F166-I169 PolarHBondContact O-N 3.31Å; I169-W171 HydrophobicContact CG1-CH2 4.21Å; I169-W171 HydrophobicContact CG1-CZ2 4.24Å; I169-W171 HydrophobicContact CG2-CD2 3.85Å; I169-W171 HydrophobicContact CG2-CE3 4.18Å; I169-W171 HydrophobicContact CG2-CG 4.26Å; I169-W171 HydrophobicContact CG2-CH2 4.45Å; I169-W171 HydrophobicContact CG2-CZ2 4.13Å; I169-W171 HydrophobicContact CG2-CZ3 4.46Å; I169-W171 WeakPolarHBondContact CG2-O 3.44Å; I169-V174 HydrophobicContact CD1-CG2 4.22Å; I169-V174 HydrophobicContact CG2-CG2 3.68Å
170	S	90.7	Very high	88.9	Confident	55 Å²	55	68.3 Å²	68.3	39%	0.385	36%	0.364	S	S	.	.			trans	-116.4	21.6	-179.5	82.2	0	0	0	0	113.3	Q103 K106	Q103-S170 PolarHBondContact O-OG 2.92Å; K106-S170 PolarHBondContact NZ-OG 3.04Å
171	W	96	Very high	89.2	Confident	22 Å²	22	71.3 Å²	71.3	8%	0.083	38%	0.375	C	S	.	.	S	Bend	trans	-132.5	156.7	-179.5	64.2	87.6	0	0	0	109.9	Q103 F104 N141 L163 I169 D178	Q103-W171 HydrophobicContact CB-CE3 4.01Å; Q103-W171 HydrophobicContact CB-CZ3 4.35Å; F104-W171 HydrophobicContact CD1-CH2 4.13Å; F104-W171 HydrophobicContact CD1-CZ3 4.01Å; F104-W171 AromaticContact CE1-CH2 3.79Å; F104-W171 HydrophobicContact CE1-CH2 3.79Å; F104-W171 AromaticContact CE1-CZ3 3.87Å; F104-W171 HydrophobicContact CE1-CZ3 3.87Å; N141-W171 HydrophobicContact CB-CB 4.34Å; N141-W171 VanDerWaalsContact CB-CD1 3.49Å; N141-W171 HydrophobicContact CB-CD2 3.73Å; N141-W171 HydrophobicContact CB-CG 3.61Å; N141-W171 HydrophobicContact CB-CZ2 4.43Å; N141-W171 VanDerWaalsContact ND2-CZ2 3.35Å; N141-W171 WeakPolarHBondContact ND2-CZ2 3.49Å; L163-W171 HydrophobicContact CD1-CZ2 3.92Å; L163-W171 HydrophobicContact CD2-CZ2 4.2Å; L163-W171 HydrophobicContact CG-CZ2 4.12Å; I169-W171 HydrophobicContact CG1-CH2 4.21Å; I169-W171 HydrophobicContact CG1-CZ2 4.24Å; I169-W171 HydrophobicContact CG2-CD2 3.85Å; I169-W171 HydrophobicContact CG2-CE3 4.18Å; I169-W171 HydrophobicContact CG2-CG 4.26Å; I169-W171 HydrophobicContact CG2-CH2 4.45Å; I169-W171 HydrophobicContact CG2-CZ2 4.13Å; I169-W171 HydrophobicContact CG2-CZ3 4.46Å; I169-W171 WeakPolarHBondContact CG2-O 3.44Å; W171-D178 HydrophobicContact CZ2-CB 4.46Å; W171-D178 PolarHBondContact NE1-OD2 3.43Å
172	D	95.4	Very high	89.7	Confident	125 Å²	125	65.8 Å²	65.8	67%	0.668	35%	0.349	S	S	*	.	S	Bend	trans	-145.9	143.8	178	-171.2	70.7	0	0	0	108.5	G142 E143	G142-D172 CarbonylContact C-O 3.58Å; G142-D172 VanDerWaalsContact CA-O 3.23Å; G142-D172 WeakPolarHBondContact CA-O 3.31Å; E143-D172 PolarHBondContact N-O 3.48Å
173	P	96.2	Very high	90.4	Very high	57 Å²	57	60.1 Å²	60.1	37%	0.37	32%	0.32	S	S	.	.	S	Bend	cis	-72.1	156.7	-9.8	32.4	-35.9	0	0	0	112
174	V	94.8	Very high	91.1	Very high	67 Å²	67	58.8 Å²	58.8	41%	0.406	31%	0.313	S	S	.	.			trans	-80.7	129.7	170.4	175	0	0	0	0	110.1	L163 I169	L163-V174 HydrophobicContact CD2-CG1 3.28Å; I169-V174 HydrophobicContact CD1-CG2 4.22Å; I169-V174 HydrophobicContact CG2-CG2 3.68Å
175	K	94.6	Very high	92.1	Very high	67 Å²	67	56.7 Å²	56.7	29%	0.291	29%	0.292	S	S	.	.			trans	-122.3	151	-179.5	-56.7	174	-170.9	166.3	0	111.7	E145 H177 D178	E145-K175 IonicContact OE1-NZ 3.49Å; E145-K175 PolarHBondContact OE1-NZ 3.45Å; E145-K175 IonicContact OE2-NZ 3.31Å; K175-H177 PolarHBondContact O-N 3.24Å; K175-D178 PolarHBondContact N-OD2 3.44Å; K175-D178 WeakPolarHBondContact O-CB 3.46Å; K175-D178 VanDerWaalsContact O-CG 3.3Å; K175-D178 PolarHBondContact O-N 2.98Å; K175-D178 VanDerWaalsContact O-N 3.13Å
176	V	93.8	Very high	93.2	Very high	98 Å²	98	52.5 Å²	52.5	59%	0.594	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-39.4	178.3	174.4	0	0	0	0	111.7	H158 D178 R180	H158-V176 PolarHBondContact CD2-O 2.86Å; V176-D178 PolarHBondContact O-N 3.29Å; V176-R180 VanDerWaalsContact O-CZ 3.24Å; V176-R180 PolarHBondContact O-NH1 3.31Å; V176-R180 PolarHBondContact O-NH2 2.8Å
177	H	95.1	Very high	94.2	Very high	55 Å²	55	43.5 Å²	43.5	26%	0.255	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	3.3	-176.2	-67.1	-86.3	0	0	0	115.5	K153 C156 K175 R197	K153-H177 HydrophobicContact CB-CB 4.21Å; K153-H177 WeakPolarHBondContact CD-O 3.23Å; K153-H177 WeakPolarHBondContact O-CB 3.48Å; K153-H177 PolarHBondContact O-ND1 3.18Å; C156-H177 PolarHBondContact O-ND1 2.92Å; K175-H177 PolarHBondContact O-N 3.24Å; H177-R197 PolarHBondContact O-NH1 2.92Å; H177-R197 PolarHBondContact O-NH2 2.86Å
178	D	96.8	Very high	95.2	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.183	C	C	.	.			trans	-51.7	145.2	-177	-79.5	-16.4	0	0	0	113.6	N141 K153 L163 W171 K175 V176 R180 R197	N141-D178 WeakPolarHBondContact OD1-CA 3.47Å; N141-D178 PolarHBondContact OD1-OD1 3.08Å; K153-D178 IonicContact NZ-OD1 3.26Å; K153-D178 PolarHBondContact NZ-OD1 3.36Å; L163-D178 HydrophobicContact CD1-CB 3.85Å; L163-D178 HydrophobicContact CD2-CB 4.45Å; W171-D178 HydrophobicContact CZ2-CB 4.46Å; W171-D178 PolarHBondContact NE1-OD2 3.43Å; K175-D178 PolarHBondContact N-OD2 3.44Å; K175-D178 WeakPolarHBondContact O-CB 3.46Å; K175-D178 VanDerWaalsContact O-CG 3.3Å; K175-D178 PolarHBondContact O-N 2.98Å; K175-D178 VanDerWaalsContact O-N 3.13Å; V176-D178 PolarHBondContact O-N 3.29Å; D178-R180 WeakPolarHBondContact O-CD 3.2Å; D178-R180 PolarHBondContact O-N 3.25Å; D178-R180 PolarHBondContact O-NH1 3.33Å; D178-R197 PolarHBondContact O-NH2 2.82Å; D178-R197 VanDerWaalsContact O-NH2 3.14Å
179	I	97.1	Very high	96	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.167	C	C	.	.			trans	-62.8	136.4	169.9	-75.8	159.5	0	0	0	108.3	F104 V140 N141 F149 K153 W181 E184 F186	F104-I179 HydrophobicContact CE1-CG2 4.1Å; F104-I179 WeakPolarHBondContact CE1-O 3.44Å; F104-I179 HydrophobicContact CE2-CG2 4.11Å; F104-I179 HydrophobicContact CZ-CB 3.97Å; F104-I179 HydrophobicContact CZ-CG2 3.49Å; F104-I179 VanDerWaalsContact CZ-CG2 3.49Å; V140-I179 HydrophobicContact CB-CD1 3.75Å; V140-I179 HydrophobicContact CG2-CB 4.08Å; V140-I179 HydrophobicContact CG2-CD1 3.65Å; V140-I179 HydrophobicContact CG2-CG1 4.47Å; V140-I179 HydrophobicContact CG2-CG2 4.32Å; N141-I179 PolarHBondContact ND2-O 3.07Å; N141-I179 PolarHBondContact OD1-N 3.33Å; F149-I179 HydrophobicContact CD1-CD1 3.42Å; F149-I179 VanDerWaalsContact CD1-CD1 3.42Å; F149-I179 HydrophobicContact CE1-CD1 3.71Å; F149-I179 HydrophobicContact CG-CD1 4.27Å; K153-I179 HydrophobicContact CD-CD1 4.14Å; K153-I179 HydrophobicContact CD-CG1 3.9Å; K153-I179 HydrophobicContact CG-CD1 4.25Å; K153-I179 HydrophobicContact CG-CG1 4.05Å; I179-W181 VanDerWaalsContact CG2-O 3.28Å; I179-W181 WeakPolarHBondContact CG2-O 3.36Å; I179-E184 HydrophobicContact CG2-CB 3.82Å; I179-F186 HydrophobicContact CD1-CE2 4.05Å; I179-F186 HydrophobicContact CD1-CZ 4.46Å; I179-F186 HydrophobicContact CG1-CE2 4.09Å; I179-F186 HydrophobicContact CG1-CZ 4.2Å
180	R	95.1	Very high	96.4	Very high	13 Å²	13	31.3 Å²	31.3	5%	0.049	17%	0.17	C	C	.	.			trans	-85.8	-35	-170.3	-54.7	-54.1	-165.6	-136.7	12.1	112.4	H158 S160 L163 V176 D178 E184	H158-R180 PolarHBondContact CD2-NH2 3.28Å; H158-R180 PolarHBondContact ND1-NH2 3.3Å; S160-R180 PolarHBondContact O-NE 3.25Å; S160-R180 PolarHBondContact O-NH2 2.97Å; S160-R180 VanDerWaalsContact O-NH2 3.11Å; L163-R180 VanDerWaalsContact CD1-CD 3.44Å; V176-R180 VanDerWaalsContact O-CZ 3.24Å; V176-R180 PolarHBondContact O-NH1 3.31Å; V176-R180 PolarHBondContact O-NH2 2.8Å; D178-R180 WeakPolarHBondContact O-CD 3.2Å; D178-R180 PolarHBondContact O-N 3.25Å; D178-R180 PolarHBondContact O-NH1 3.33Å; R180-E184 WeakPolarHBondContact CB-OE2 3.3Å; R180-E184 PolarHBondContact N-OE2 2.92Å
181	W	96	Very high	96.7	Very high	67 Å²	67	32.8 Å²	32.8	25%	0.254	17%	0.173	S	C	.	.	S	Bend	trans	-161.6	179.5	-179.6	-157.1	-114.4	0	0	0	112.8	N68 F104 I179 H200	N68-W181 PolarHBondContact ND2-O 3.07Å; F104-W181 HydrophobicContact CB-CD2 4.01Å; F104-W181 HydrophobicContact CB-CE3 3.8Å; F104-W181 HydrophobicContact CB-CH2 4.27Å; F104-W181 HydrophobicContact CB-CZ2 4.46Å; F104-W181 HydrophobicContact CB-CZ3 3.94Å; F104-W181 HydrophobicContact CD1-CE3 4.09Å; F104-W181 HydrophobicContact CG-CE3 4.36Å; I179-W181 VanDerWaalsContact CG2-O 3.28Å; I179-W181 WeakPolarHBondContact CG2-O 3.36Å; W181-H200 HydrophobicContact CB-CB 4.16Å; W181-H200 AromaticContact CD1-CD2 3.94Å
182	N	97.4	Very high	96.7	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	144.4	166.6	-63.1	-46.3	0	0	0	111.1	N68 A70 C73 F104 Q107 H200	N68-N182 WeakPolarHBondContact ND2-CA 3.34Å; A70-N182 HydrophobicContact CB-CB 3.96Å; A70-N182 WeakPolarHBondContact CB-OD1 3.43Å; C73-N182 HydrophobicContact CB-CB 4.35Å; F104-N182 WeakPolarHBondContact CB-ND2 3.42Å; F104-N182 WeakPolarHBondContact CD2-OD1 3.35Å; F104-N182 PolarHBondContact O-ND2 3.33Å; Q107-N182 PolarHBondContact OE1-ND2 3.2Å; N182-H200 WeakPolarHBondContact O-CB 3.2Å
183	F	98.2	Very high	96.9	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.3	24.7	179	-59.8	-94.3	0	0	0	115.2	V67 N68 V69 A70 C73 L75 Q78 Y79 L82 K185 H200	V67-F183 HydrophobicContact CG1-CD1 4.23Å; N68-F183 WeakPolarHBondContact O-CA 3.26Å; N68-F183 PolarHBondContact O-N 2.77Å; V69-F183 HydrophobicContact CB-CE1 4.35Å; V69-F183 HydrophobicContact CB-CZ 4.35Å; V69-F183 HydrophobicContact CG1-CD1 4.36Å; V69-F183 HydrophobicContact CG1-CE1 4.02Å; A70-F183 HydrophobicContact CB-CE2 4.43Å; A70-F183 WeakPolarHBondContact O-CZ 3.48Å; C73-F183 HydrophobicContact CB-CD2 4.46Å; C73-F183 HydrophobicContact CB-CE2 3.88Å; L75-F183 HydrophobicContact CB-CB 4.25Å; L75-F183 HydrophobicContact CB-CD2 3.49Å; L75-F183 VanDerWaalsContact CB-CD2 3.49Å; L75-F183 HydrophobicContact CB-CE2 4.04Å; L75-F183 HydrophobicContact CB-CG 3.91Å; L75-F183 HydrophobicContact CD1-CB 4.21Å; Q78-F183 HydrophobicContact CB-CD1 4.17Å; Q78-F183 HydrophobicContact CB-CE1 4.37Å; Y79-F183 AromaticContact CD2-CE1 3.94Å; Y79-F183 HydrophobicContact CD2-CE1 3.94Å; Y79-F183 AromaticContact CD2-CZ 3.87Å; Y79-F183 HydrophobicContact CD2-CZ 3.87Å; Y79-F183 AromaticContact CE2-CE1 3.98Å; Y79-F183 HydrophobicContact CE2-CE1 3.98Å; Y79-F183 AromaticContact CE2-CZ 3.71Å; Y79-F183 HydrophobicContact CE2-CZ 3.71Å; L82-F183 HydrophobicContact CD1-CD1 4.47Å; F183-K185 WeakPolarHBondContact O-CG 3.48Å; F183-K185 PolarHBondContact O-NZ 3.05Å; F183-H200 WeakPolarHBondContact O-CA 3.33Å
184	E	98.4	Very high	97	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.134	C	C	.	.			trans	-71	147.6	164.1	-151.7	172.6	113.2	0	0	110.1	V67 N68 I179 R180 R197 W198	V67-E184 WeakPolarHBondContact CA-O 3.46Å; N68-E184 PolarHBondContact N-O 2.86Å; N68-E184 WeakPolarHBondContact OD1-CA 3.09Å; N68-E184 VanDerWaalsContact OD1-CB 3.29Å; N68-E184 WeakPolarHBondContact OD1-CB 3.11Å; N68-E184 PolarHBondContact OD1-N 2.88Å; N68-E184 PolarHBondContact OD1-O 3.09Å; N68-E184 VanDerWaalsContact OD1-O 3.04Å; I179-E184 HydrophobicContact CG2-CB 3.82Å; R180-E184 WeakPolarHBondContact CB-OE2 3.3Å; R180-E184 PolarHBondContact N-OE2 2.92Å; E184-R197 IonicContact OE1-CZ 2.64Å; E184-R197 IonicContact OE1-NE 3.34Å; E184-R197 PolarHBondContact OE1-NE 3.41Å; E184-R197 IonicContact OE1-NH2 3.44Å; E184-R197 PolarHBondContact OE1-NH2 3.32Å; E184-W198 WeakPolarHBondContact CG-O 3.41Å
185	K	98.8	Very high	97.1	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	139.5	-165.2	-53.6	169.2	-177.3	72	0	110.9	L65 F66 V67 F183 R197 W198 V207	L65-K185 HydrophobicContact CD1-CB 4.14Å; F66-K185 CarbonylContact O-C 3.6Å; F66-K185 VanDerWaalsContact O-CA 3.3Å; F66-K185 WeakPolarHBondContact O-CA 3.31Å; V67-K185 HydrophobicContact CG1-CG 4.23Å; V67-K185 HydrophobicContact CG2-CG 4.19Å; F183-K185 WeakPolarHBondContact O-CG 3.48Å; F183-K185 PolarHBondContact O-NZ 3.05Å; K185-R197 CarbonylContact O-C 3.59Å; K185-R197 VanDerWaalsContact O-CA 3.29Å; K185-R197 WeakPolarHBondContact O-CA 3.39Å; K185-W198 HydrophobicContact CB-CB 4.32Å; K185-W198 HydrophobicContact CB-CE3 3.88Å; K185-W198 PolarHBondContact N-O 3.48Å; K185-W198 PolarHBondContact O-N 3.27Å; K185-V207 HydrophobicContact CD-CG1 4.39Å; K185-V207 HydrophobicContact CD-CG2 3.73Å
186	F	98.8	Very high	97.3	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	130.5	172.7	-60.5	-104.3	0	0	0	109.3	L65 F66 F149 L152 K153 I179 M196 R197	L65-F186 CarbonylContact C-O 3.53Å; L65-F186 WeakPolarHBondContact CA-O 3.41Å; F66-F186 HydrophobicContact CB-CB 4.29Å; F66-F186 PolarHBondContact N-O 3.4Å; F66-F186 PolarHBondContact O-N 3.11Å; F149-F186 HydrophobicContact CE1-CE2 4.49Å; L152-F186 HydrophobicContact CB-CD1 3.85Å; L152-F186 HydrophobicContact CB-CD2 4.5Å; L152-F186 HydrophobicContact CB-CE1 3.95Å; L152-F186 HydrophobicContact CB-CG 4.13Å; L152-F186 HydrophobicContact CB-CZ 4.36Å; L152-F186 HydrophobicContact CD1-CB 4.39Å; L152-F186 HydrophobicContact CD1-CD2 4.47Å; L152-F186 HydrophobicContact CD1-CG 4.37Å; L152-F186 HydrophobicContact CD2-CB 4.18Å; L152-F186 HydrophobicContact CD2-CG 4.47Å; L152-F186 VanDerWaalsContact O-CE1 3.28Å; L152-F186 WeakPolarHBondContact O-CE1 3.31Å; K153-F186 HydrophobicContact CG-CZ 4.16Å; I179-F186 HydrophobicContact CD1-CE2 4.05Å; I179-F186 HydrophobicContact CD1-CZ 4.46Å; I179-F186 HydrophobicContact CG1-CE2 4.09Å; I179-F186 HydrophobicContact CG1-CZ 4.2Å; F186-M196 WeakPolarHBondContact CA-O 3.26Å; F186-R197 HydrophobicContact CD1-CB 3.91Å; F186-R197 HydrophobicContact CD1-CG 3.78Å; F186-R197 HydrophobicContact CE1-CB 4.02Å; F186-R197 HydrophobicContact CE1-CG 3.49Å; F186-R197 VanDerWaalsContact CE1-CG 3.49Å; F186-R197 HydrophobicContact CE2-CG 4.38Å; F186-R197 HydrophobicContact CG-CG 4.37Å; F186-R197 HydrophobicContact CZ-CG 3.82Å; F186-R197 VanDerWaalsContact CZ-NE 3.3Å
187	L	98.7	Very high	97.5	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	133.9	168.7	-178.4	69.4	0	0	0	109.2	H63 I64 L94 V195 M196 W198 I211 Y214	H63-L187 HydrophobicContact CB-CD1 4.43Å; I64-L187 CarbonylContact O-C 3.48Å; I64-L187 WeakPolarHBondContact O-CA 3.48Å; L94-L187 HydrophobicContact CD1-CD1 4.3Å; L187-V195 HydrophobicContact CB-CB 4.43Å; L187-V195 HydrophobicContact CD2-CB 4.18Å; L187-V195 HydrophobicContact CD2-CG1 4.2Å; L187-V195 HydrophobicContact CG-CB 4.28Å; L187-V195 PolarHBondContact O-N 3.12Å; L187-M196 HydrophobicContact CB-CG 3.89Å; L187-M196 HydrophobicContact CD2-CE 4.12Å; L187-M196 HydrophobicContact CD2-CG 4.17Å; L187-M196 HydrophobicContact CD2-SD 4.28Å; L187-M196 PolarHBondContact N-O 2.97Å; L187-W198 HydrophobicContact CB-CH2 3.64Å; L187-W198 HydrophobicContact CB-CZ3 3.58Å; L187-W198 HydrophobicContact CD2-CH2 4.22Å; L187-W198 HydrophobicContact CG-CH2 4.47Å; L187-I211 HydrophobicContact CD1-CD1 4.45Å; L187-I211 HydrophobicContact CD1-CG1 4.28Å; L187-I211 HydrophobicContact CD2-CG1 4.18Å; L187-Y214 HydrophobicContact CD2-CD1 3.82Å; L187-Y214 HydrophobicContact CD2-CE1 4.2Å; L187-Y214 HydrophobicContact CD2-CG 4.26Å
188	V	98.6	Very high	97.6	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	137.8	173.2	178	0	0	0	0	109	I40 H63 I64 F66 L152 G192 P194	I40-V188 HydrophobicContact CD1-CG1 3.94Å; I40-V188 HydrophobicContact CG1-CG1 3.97Å; I40-V188 HydrophobicContact CG2-CB 4.49Å; I40-V188 HydrophobicContact CG2-CG1 3.91Å; I40-V188 HydrophobicContact CG2-CG2 3.89Å; H63-V188 WeakPolarHBondContact CA-O 3.19Å; I64-V188 HydrophobicContact CB-CB 4.29Å; I64-V188 PolarHBondContact N-O 2.99Å; I64-V188 PolarHBondContact O-N 3.41Å; F66-V188 HydrophobicContact CD2-CG2 3.85Å; F66-V188 HydrophobicContact CE2-CB 4.27Å; F66-V188 HydrophobicContact CE2-CG2 3.73Å; L152-V188 HydrophobicContact CD2-CG2 3.71Å; V188-G192 WeakPolarHBondContact CG1-O 3.37Å; V188-P194 HydrophobicContact CG2-CG 4.4Å
189	G	97.4	Very high	97.6	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.071	C	C	.	.			trans	-73.7	172.4	-179.1	0	0	0	0	0	113.8	K62 D191 G192 I193	K62-G189 CarbonylContact O-C 3.51Å; G189-D191 PolarHBondContact O-N 2.68Å; G189-G192 PolarHBondContact O-N 3.43Å; G189-I193 PolarHBondContact N-O 3.49Å
190	P	96.5	Very high	97.6	Very high	32 Å²	32	15.5 Å²	15.5	21%	0.208	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-10.4	179.7	31.9	-33.1	0	0	0	113.6	Y41 G61 K62 F218	Y41-P190 PolarHBondContact OH-O 3.12Å; G61-P190 WeakPolarHBondContact CA-O 3.48Å; G61-P190 PolarHBondContact N-O 2.89Å; K62-P190 VanDerWaalsContact O-CA 3.29Å; K62-P190 WeakPolarHBondContact O-CA 3.09Å; P190-F218 HydrophobicContact CG-CE1 3.96Å; P190-F218 HydrophobicContact CG-CZ 4.04Å
191	D	96.3	Very high	97.5	Very high	86 Å²	86	21.4 Å²	21.4	46%	0.46	10%	0.1	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-0.2	172.3	55.1	1.1	0	0	0	113.1	Y41 G189 I193	Y41-D191 VanDerWaalsContact CE2-C 3.43Å; Y41-D191 VanDerWaalsContact CE2-O 3.25Å; Y41-D191 WeakPolarHBondContact CE2-O 3.47Å; G189-D191 PolarHBondContact O-N 2.68Å; D191-I193 VanDerWaalsContact C-N 3.33Å; D191-I193 PolarHBondContact OD1-N 2.98Å
192	G	97.7	Very high	97.6	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.089	C	C	.	.	S	Bend	trans	83.1	7.5	177.8	0	0	0	0	0	114.2	T39 I40 Y41 V188 G189	T39-G192 WeakPolarHBondContact CA-O 3.4Å; I40-G192 PolarHBondContact N-O 3.43Å; Y41-G192 WeakPolarHBondContact OH-CA 3.29Å; Y41-G192 PolarHBondContact OH-N 3.19Å; V188-G192 WeakPolarHBondContact CG1-O 3.37Å; G189-G192 PolarHBondContact O-N 3.43Å
193	I	97.6	Very high	97.6	Very high	53 Å²	53	21.9 Å²	21.9	27%	0.272	11%	0.111	S	C	.	.			trans	-93.8	133	-178.9	-58.8	177.4	0	0	0	110.2	E36 T39 G189 D191	E36-I193 HydrophobicContact CB-CG2 4.4Å; T39-I193 HydrophobicContact CG2-CG1 4.45Å; G189-I193 PolarHBondContact N-O 3.49Å; D191-I193 VanDerWaalsContact C-N 3.33Å; D191-I193 PolarHBondContact OD1-N 2.98Å
194	P	98.3	Very high	97.6	Very high	5 Å²	5	22.1 Å²	22.1	3%	0.032	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	137.1	174.7	-27.2	39.2	0	0	0	112.9	C32 F151 L152 V188	C32-P194 HydrophobicContact CB-CB 4.22Å; C32-P194 WeakPolarHBondContact CB-O 3.49Å; F151-P194 HydrophobicContact CD1-CG 4.42Å; F151-P194 HydrophobicContact CE1-CG 3.58Å; F151-P194 HydrophobicContact CZ-CG 3.81Å; L152-P194 HydrophobicContact CD2-CB 4.42Å; L152-P194 HydrophobicContact CD2-CG 3.91Å; V188-P194 HydrophobicContact CG2-CG 4.4Å
195	V	97.7	Very high	97.6	Very high	27 Å²	27	25.8 Å²	25.8	16%	0.164	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	-51.6	-172.5	-179.4	0	0	0	0	111.3	C32 L187 Y214	C32-V195 WeakPolarHBondContact CB-O 3.48Å; C32-V195 PolarHBondContact N-O 2.84Å; L187-V195 HydrophobicContact CB-CB 4.43Å; L187-V195 HydrophobicContact CD2-CB 4.18Å; L187-V195 HydrophobicContact CD2-CG1 4.2Å; L187-V195 HydrophobicContact CG-CB 4.28Å; L187-V195 PolarHBondContact O-N 3.12Å; V195-Y214 HydrophobicContact CB-CE2 4.33Å; V195-Y214 HydrophobicContact CG1-CD2 3.6Å; V195-Y214 HydrophobicContact CG1-CE1 4.38Å; V195-Y214 HydrophobicContact CG1-CE2 3.32Å; V195-Y214 HydrophobicContact CG1-CG 4.25Å; V195-Y214 HydrophobicContact CG2-CE1 4.21Å; V195-Y214 HydrophobicContact CG2-CE2 4.01Å; V195-Y214 WeakPolarHBondContact CG2-OH 3.48Å
196	M	98	Very high	97.5	Very high	11 Å²	11	27.7 Å²	27.7	5%	0.054	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	157.4	-179	59.5	-171.2	78	0	0	111.6	K29 M30 C32 F186 L187 W198 D210 Y214	K29-M196 HydrophobicContact CD-CB 4.45Å; K29-M196 HydrophobicContact CD-SD 3.81Å; K29-M196 HydrophobicContact CG-CB 4.38Å; M30-M196 CarbonylContact O-C 3.55Å; M30-M196 VanDerWaalsContact O-CA 3.28Å; M30-M196 WeakPolarHBondContact O-CA 3.4Å; M30-M196 WeakPolarHBondContact O-CB 3.41Å; C32-M196 VanDerWaalsContact SG-C 3.59Å; C32-M196 WeakPolarHBondContact SG-CA 3.12Å; C32-M196 PolarHBondContact SG-N 3.03Å; F186-M196 WeakPolarHBondContact CA-O 3.26Å; L187-M196 HydrophobicContact CB-CG 3.89Å; L187-M196 HydrophobicContact CD2-CE 4.12Å; L187-M196 HydrophobicContact CD2-CG 4.17Å; L187-M196 HydrophobicContact CD2-SD 4.28Å; L187-M196 PolarHBondContact N-O 2.97Å; M196-W198 HydrophobicContact CG-CE3 4.33Å; M196-W198 HydrophobicContact CG-CH2 3.34Å; M196-W198 HydrophobicContact CG-CZ2 3.6Å; M196-W198 HydrophobicContact CG-CZ3 3.74Å; M196-W198 HydrophobicContact SD-CH2 3.44Å; M196-W198 WeakPolarHBondContact SD-CH2 3.37Å; M196-W198 HydrophobicContact SD-CZ2 3.16Å; M196-W198 WeakPolarHBondContact SD-CZ2 3.27Å; M196-W198 HydrophobicContact SD-CZ3 4.39Å; M196-D210 HydrophobicContact SD-CB 4.16Å; M196-Y214 HydrophobicContact CE-CD2 4.29Å; M196-Y214 HydrophobicContact CE-CG 4.29Å
197	R	98.5	Very high	97.5	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	133.2	180	-179.7	-174.9	-176.4	169	-1.4	109.2	K29 M30 C156 P157 H177 D178 E184 K185 F186	K29-R197 CarbonylContact C-O 3.57Å; K29-R197 WeakPolarHBondContact CA-O 3.42Å; M30-R197 PolarHBondContact N-O 3.42Å; M30-R197 PolarHBondContact O-N 3.44Å; C156-R197 HydrophobicContact CB-CB 3.8Å; C156-R197 PolarHBondContact O-NH1 3.12Å; P157-R197 WeakPolarHBondContact O-CD 3.29Å; H177-R197 PolarHBondContact O-NH1 2.92Å; H177-R197 PolarHBondContact O-NH2 2.86Å; D178-R197 PolarHBondContact O-NH2 2.82Å; D178-R197 VanDerWaalsContact O-NH2 3.14Å; E184-R197 IonicContact OE1-CZ 2.64Å; E184-R197 IonicContact OE1-NE 3.34Å; E184-R197 PolarHBondContact OE1-NE 3.41Å; E184-R197 IonicContact OE1-NH2 3.44Å; E184-R197 PolarHBondContact OE1-NH2 3.32Å; K185-R197 CarbonylContact O-C 3.59Å; K185-R197 VanDerWaalsContact O-CA 3.29Å; K185-R197 WeakPolarHBondContact O-CA 3.39Å; F186-R197 HydrophobicContact CD1-CB 3.91Å; F186-R197 HydrophobicContact CD1-CG 3.78Å; F186-R197 HydrophobicContact CE1-CB 4.02Å; F186-R197 HydrophobicContact CE1-CG 3.49Å; F186-R197 VanDerWaalsContact CE1-CG 3.49Å; F186-R197 HydrophobicContact CE2-CG 4.38Å; F186-R197 HydrophobicContact CG-CG 4.37Å; F186-R197 HydrophobicContact CZ-CG 3.82Å; F186-R197 VanDerWaalsContact CZ-NE 3.3Å
198	W	98.2	Very high	97.5	Very high	1 Å²	1	30.8 Å²	30.8	0%	0.004	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	145	175.9	-63.9	-97.1	0	0	0	111.8	M28 K29 L65 E184 K185 L187 M196 A202 V207 D210 I211	M28-W198 CarbonylContact O-C 3.57Å; M28-W198 VanDerWaalsContact O-CA 3.28Å; M28-W198 WeakPolarHBondContact O-CA 3.38Å; M28-W198 WeakPolarHBondContact O-CB 3.44Å; K29-W198 HydrophobicContact CB-CG 4.44Å; K29-W198 HydrophobicContact CG-CG 4.38Å; L65-W198 HydrophobicContact CD1-CE3 4.5Å; L65-W198 HydrophobicContact CD1-CZ3 3.85Å; E184-W198 WeakPolarHBondContact CG-O 3.41Å; K185-W198 HydrophobicContact CB-CB 4.32Å; K185-W198 HydrophobicContact CB-CE3 3.88Å; K185-W198 PolarHBondContact N-O 3.48Å; K185-W198 PolarHBondContact O-N 3.27Å; L187-W198 HydrophobicContact CB-CH2 3.64Å; L187-W198 HydrophobicContact CB-CZ3 3.58Å; L187-W198 HydrophobicContact CD2-CH2 4.22Å; L187-W198 HydrophobicContact CG-CH2 4.47Å; M196-W198 HydrophobicContact CG-CE3 4.33Å; M196-W198 HydrophobicContact CG-CH2 3.34Å; M196-W198 HydrophobicContact CG-CZ2 3.6Å; M196-W198 HydrophobicContact CG-CZ3 3.74Å; M196-W198 HydrophobicContact SD-CH2 3.44Å; M196-W198 WeakPolarHBondContact SD-CH2 3.37Å; M196-W198 HydrophobicContact SD-CZ2 3.16Å; M196-W198 WeakPolarHBondContact SD-CZ2 3.27Å; M196-W198 HydrophobicContact SD-CZ3 4.39Å; W198-A202 HydrophobicContact CB-CB 3.82Å; W198-A202 HydrophobicContact CG-CB 4.21Å; W198-V207 HydrophobicContact CB-CG2 4.39Å; W198-V207 HydrophobicContact CD2-CG1 4.37Å; W198-V207 HydrophobicContact CD2-CG2 4Å; W198-V207 HydrophobicContact CE3-CG1 4.46Å; W198-V207 HydrophobicContact CG-CG2 3.88Å; W198-V207 HydrophobicContact CH2-CG1 4.1Å; W198-V207 HydrophobicContact CZ2-CG1 4.04Å; W198-V207 HydrophobicContact CZ3-CG1 4.32Å; W198-D210 HydrophobicContact CZ2-CB 3.7Å; W198-D210 PolarHBondContact NE1-OD2 2.69Å; W198-I211 HydrophobicContact CH2-CD1 4.42Å; W198-I211 HydrophobicContact CH2-CG1 3.96Å; W198-I211 HydrophobicContact CZ2-CG1 4.31Å
199	S	96.8	Very high	97.5	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.191	C	C	.	.			trans	-57.1	149.5	164.4	175.5	0	0	0	0	110.1	E26 M28 R201 A202	E26-S199 WeakPolarHBondContact OE1-CB 3.35Å; E26-S199 PolarHBondContact OE1-OG 3.49Å; M28-S199 PolarHBondContact O-N 2.91Å; S199-R201 PolarHBondContact O-N 3.49Å; S199-R201 VanDerWaalsContact O-N 3.09Å; S199-R201 PolarHBondContact OG-N 2.95Å; S199-R201 VanDerWaalsContact OG-N 3.14Å; S199-A202 VanDerWaalsContact O-CB 3.3Å; S199-A202 WeakPolarHBondContact O-CB 3.36Å; S199-A202 PolarHBondContact O-N 3.21Å
200	H	95.8	Very high	97.5	Very high	30 Å²	30	36.6 Å²	36.6	14%	0.139	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-25.9	168.4	58.7	-81	0	0	0	113.5	L75 W181 N182 F183 A202	L75-H200 HydrophobicContact CD1-CB 3.96Å; L75-H200 WeakPolarHBondContact CD1-O 3.23Å; W181-H200 HydrophobicContact CB-CB 4.16Å; W181-H200 AromaticContact CD1-CD2 3.94Å; N182-H200 WeakPolarHBondContact O-CB 3.2Å; F183-H200 WeakPolarHBondContact O-CA 3.33Å; H200-A202 VanDerWaalsContact C-N 3.34Å
201	R	94.7	Very high	97.6	Very high	137 Å²	137	35.1 Å²	35.1	52%	0.517	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-14.5	177.5	-58.3	-158.6	-78.9	173.4	-11	114.3	E26 M28 S199 T203	E26-R201 VanDerWaalsContact CB-NH2 3.35Å; E26-R201 VanDerWaalsContact CD-NE 3.26Å; E26-R201 IonicContact OE1-CZ 2.9Å; E26-R201 IonicContact OE1-NE 3.81Å; E26-R201 PolarHBondContact OE1-NE 3.11Å; E26-R201 IonicContact OE1-NH2 3.69Å; E26-R201 PolarHBondContact OE1-NH2 3.44Å; E26-R201 IonicContact OE2-CZ 2.64Å; E26-R201 IonicContact OE2-NE 2.66Å; E26-R201 PolarHBondContact OE2-NE 3.06Å; E26-R201 IonicContact OE2-NH2 3.79Å; E26-R201 PolarHBondContact OE2-NH2 3.05Å; M28-R201 HydrophobicContact CE-CB 4.13Å; M28-R201 HydrophobicContact SD-CB 3.94Å; S199-R201 PolarHBondContact O-N 3.49Å; S199-R201 VanDerWaalsContact O-N 3.09Å; S199-R201 PolarHBondContact OG-N 2.95Å; S199-R201 VanDerWaalsContact OG-N 3.14Å; R201-T203 PolarHBondContact O-N 3.01Å
202	A	96.6	Very high	97.6	Very high	2 Å²	2	33.8 Å²	33.8	2%	0.017	18%	0.182	C	C	.	.	S	Bend	trans	-64.7	128.4	173.6	0	0	0	0	0	109.8	M28 W198 S199 H200 V207	M28-A202 HydrophobicContact CB-CB 4.37Å; W198-A202 HydrophobicContact CB-CB 3.82Å; W198-A202 HydrophobicContact CG-CB 4.21Å; S199-A202 VanDerWaalsContact O-CB 3.3Å; S199-A202 WeakPolarHBondContact O-CB 3.36Å; S199-A202 PolarHBondContact O-N 3.21Å; H200-A202 VanDerWaalsContact C-N 3.34Å; A202-V207 HydrophobicContact CB-CG2 4.21Å
203	T	97.3	Very high	97.6	Very high	76 Å²	76	36.5 Å²	36.5	47%	0.466	21%	0.205	S	C	.	.			trans	-69.8	152.6	178.8	66.6	0	0	0	0	110	R201 S205 S206 V207	R201-T203 PolarHBondContact O-N 3.01Å; T203-S205 PolarHBondContact O-N 2.88Å; T203-S206 PolarHBondContact N-OG 2.66Å; T203-S206 PolarHBondContact O-N 3.44Å; T203-S206 VanDerWaalsContact O-N 3.12Å; T203-S206 PolarHBondContact O-OG 3.2Å; T203-S206 PolarHBondContact OG1-N 2.83Å; T203-S206 VanDerWaalsContact OG1-N 3.1Å; T203-S206 PolarHBondContact OG1-OG 2.93Å; T203-V207 WeakPolarHBondContact O-CG2 3.32Å; T203-V207 PolarHBondContact O-N 3.44Å
204	V	98.4	Very high	97.6	Very high	5 Å²	5	35.4 Å²	35.4	3%	0.03	20%	0.197	C	C	.	.	H	α-helix	trans	-62.3	-31.1	176.7	-178.2	0	0	0	0	110.8	Q78 E81 L82 L85 V207 K208	Q78-V204 HydrophobicContact CB-CG2 3.98Å; Q78-V204 HydrophobicContact CG-CG2 4.07Å; E81-V204 HydrophobicContact CB-CB 3.69Å; E81-V204 HydrophobicContact CB-CG1 3.85Å; E81-V204 HydrophobicContact CB-CG2 3.71Å; L82-V204 HydrophobicContact CD2-CG1 4.5Å; L82-V204 HydrophobicContact CD2-CG2 4.39Å; L82-V204 HydrophobicContact CG-CG2 4.44Å; L85-V204 HydrophobicContact CB-CG1 4.08Å; L85-V204 HydrophobicContact CD2-CG1 4.06Å; V204-V207 PolarHBondContact O-N 2.85Å; V204-K208 WeakPolarHBondContact O-CB 3.25Å; V204-K208 PolarHBondContact O-N 3.24Å
205	S	98.1	Very high	97.4	Very high	76 Å²	76	35.8 Å²	35.8	53%	0.531	20%	0.199	S	C	.	.	H	α-helix	trans	-62.8	-42.6	172.4	-174.2	0	0	0	0	113.7	T203 K208 T209	T203-S205 PolarHBondContact O-N 2.88Å; S205-K208 WeakPolarHBondContact O-CB 3.12Å; S205-K208 PolarHBondContact O-N 3.03Å; S205-T209 PolarHBondContact O-N 2.9Å; S205-T209 PolarHBondContact O-OG1 3.43Å
206	S	97.8	Very high	97.3	Very high	40 Å²	40	41.6 Å²	41.6	28%	0.28	22%	0.222	S	C	.	.	H	α-helix	trans	-67.4	-41.9	175.6	65.6	0	0	0	0	111.2	T203 K208 T209 D210	T203-S206 PolarHBondContact N-OG 2.66Å; T203-S206 PolarHBondContact O-N 3.44Å; T203-S206 VanDerWaalsContact O-N 3.12Å; T203-S206 PolarHBondContact O-OG 3.2Å; T203-S206 PolarHBondContact OG1-N 2.83Å; T203-S206 VanDerWaalsContact OG1-N 3.1Å; T203-S206 PolarHBondContact OG1-OG 2.93Å; S206-K208 VanDerWaalsContact C-N 3.33Å; S206-K208 PolarHBondContact O-N 3.05Å; S206-T209 WeakPolarHBondContact O-CB 3.44Å; S206-T209 PolarHBondContact O-N 2.9Å; S206-T209 VanDerWaalsContact O-N 3.15Å; S206-D210 PolarHBondContact O-N 3.13Å
207	V	98.5	Very high	96.9	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.006	24%	0.242	C	C	.	.	H	α-helix	trans	-58.1	-45.3	174.7	173.7	0	0	0	0	110.9	L65 L85 K185 W198 A202 T203 V204 T209 D210 I211	L65-V207 HydrophobicContact CD1-CG1 4.37Å; L65-V207 HydrophobicContact CD2-CG1 4.43Å; L85-V207 HydrophobicContact CD2-CG1 4.49Å; K185-V207 HydrophobicContact CD-CG1 4.39Å; K185-V207 HydrophobicContact CD-CG2 3.73Å; W198-V207 HydrophobicContact CB-CG2 4.39Å; W198-V207 HydrophobicContact CD2-CG1 4.37Å; W198-V207 HydrophobicContact CD2-CG2 4Å; W198-V207 HydrophobicContact CE3-CG1 4.46Å; W198-V207 HydrophobicContact CG-CG2 3.88Å; W198-V207 HydrophobicContact CH2-CG1 4.1Å; W198-V207 HydrophobicContact CZ2-CG1 4.04Å; W198-V207 HydrophobicContact CZ3-CG1 4.32Å; A202-V207 HydrophobicContact CB-CG2 4.21Å; T203-V207 WeakPolarHBondContact O-CG2 3.32Å; T203-V207 PolarHBondContact O-N 3.44Å; V204-V207 PolarHBondContact O-N 2.85Å; V207-T209 VanDerWaalsContact C-N 3.34Å; V207-T209 PolarHBondContact O-N 3.33Å; V207-D210 PolarHBondContact O-N 3Å; V207-I211 HydrophobicContact CG1-CD1 3.74Å; V207-I211 HydrophobicContact CG1-CG1 4.38Å; V207-I211 VanDerWaalsContact O-CG1 3.29Å; V207-I211 WeakPolarHBondContact O-CG1 3.5Å; V207-I211 PolarHBondContact O-N 2.81Å
208	K	98.5	Very high	96.4	Very high	65 Å²	65	49.8 Å²	49.8	28%	0.283	26%	0.259	S	S	.	.	H	α-helix	trans	-57.1	-46.6	174.6	-177.2	-178.5	164.4	-174.7	0	112	L85 E88 L89 V204 S205 S206 D210 I211 L212	L85-K208 HydrophobicContact CD1-CB 3.59Å; L85-K208 HydrophobicContact CD1-CD 4.26Å; L85-K208 HydrophobicContact CD1-CG 3.72Å; E88-K208 IonicContact OE1-NZ 2.76Å; E88-K208 WeakPolarHBondContact OE2-CE 3.32Å; E88-K208 IonicContact OE2-NZ 3.84Å; E88-K208 PolarHBondContact OE2-NZ 3.46Å; L89-K208 HydrophobicContact CD1-CG 4.41Å; V204-K208 WeakPolarHBondContact O-CB 3.25Å; V204-K208 PolarHBondContact O-N 3.24Å; S205-K208 WeakPolarHBondContact O-CB 3.12Å; S205-K208 PolarHBondContact O-N 3.03Å; S206-K208 VanDerWaalsContact C-N 3.33Å; S206-K208 PolarHBondContact O-N 3.05Å; K208-D210 VanDerWaalsContact C-N 3.34Å; K208-D210 PolarHBondContact O-N 3.03Å; K208-I211 PolarHBondContact O-N 3.41Å; K208-L212 HydrophobicContact CG-CD1 4.06Å; K208-L212 WeakPolarHBondContact O-CB 3.44Å; K208-L212 WeakPolarHBondContact O-CG 3.49Å; K208-L212 PolarHBondContact O-N 3.05Å
209	T	98.1	Very high	95.2	Very high	88 Å²	88	56.2 Å²	56.2	54%	0.54	29%	0.287	S	S	.	.	H	α-helix	trans	-59.9	-45.8	179.5	-61.3	0	0	0	0	111.1	S205 S206 V207 L212 A213	S205-T209 PolarHBondContact O-N 2.9Å; S205-T209 PolarHBondContact O-OG1 3.43Å; S206-T209 WeakPolarHBondContact O-CB 3.44Å; S206-T209 PolarHBondContact O-N 2.9Å; S206-T209 VanDerWaalsContact O-N 3.15Å; V207-T209 VanDerWaalsContact C-N 3.34Å; V207-T209 PolarHBondContact O-N 3.33Å; T209-L212 PolarHBondContact O-N 2.93Å; T209-A213 WeakPolarHBondContact O-CB 3.38Å; T209-A213 PolarHBondContact O-N 2.89Å
210	D	98	Very high	93.4	Very high	34 Å²	34	61.9 Å²	61.9	18%	0.182	32%	0.322	C	S	.	.	H	α-helix	trans	-64	-44.4	177.2	-73.3	-44.7	0	0	0	112.3	K29 M196 W198 S206 V207 K208 A213 Y214	K29-D210 HydrophobicContact CD-CB 4.34Å; K29-D210 WeakPolarHBondContact CD-OD2 3.4Å; K29-D210 IonicContact NZ-OD1 3.05Å; K29-D210 PolarHBondContact NZ-OD1 3.12Å; K29-D210 IonicContact NZ-OD2 3.94Å; M196-D210 HydrophobicContact SD-CB 4.16Å; W198-D210 HydrophobicContact CZ2-CB 3.7Å; W198-D210 PolarHBondContact NE1-OD2 2.69Å; S206-D210 PolarHBondContact O-N 3.13Å; V207-D210 PolarHBondContact O-N 3Å; K208-D210 VanDerWaalsContact C-N 3.34Å; K208-D210 PolarHBondContact O-N 3.03Å; D210-A213 WeakPolarHBondContact O-CB 3.17Å; D210-A213 PolarHBondContact O-N 3.08Å; D210-Y214 PolarHBondContact O-N 3.48Å
211	I	98.2	Very high	90.9	Very high	0 Å²	0	72.3 Å²	72.3	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-61.4	-46.1	176.4	-68.2	168.4	0	0	0	110.3	L65 L85 L89 L94 L187 W198 V207 K208 A213 Y214 L215	L65-I211 HydrophobicContact CD1-CD1 4.44Å; L85-I211 HydrophobicContact CD2-CD1 4.4Å; L89-I211 HydrophobicContact CD1-CB 4.28Å; L89-I211 HydrophobicContact CD1-CG2 3.75Å; L94-I211 HydrophobicContact CD1-CD1 4.37Å; L94-I211 HydrophobicContact CD2-CD1 4.45Å; L187-I211 HydrophobicContact CD1-CD1 4.45Å; L187-I211 HydrophobicContact CD1-CG1 4.28Å; L187-I211 HydrophobicContact CD2-CG1 4.18Å; W198-I211 HydrophobicContact CH2-CD1 4.42Å; W198-I211 HydrophobicContact CH2-CG1 3.96Å; W198-I211 HydrophobicContact CZ2-CG1 4.31Å; V207-I211 HydrophobicContact CG1-CD1 3.74Å; V207-I211 HydrophobicContact CG1-CG1 4.38Å; V207-I211 VanDerWaalsContact O-CG1 3.29Å; V207-I211 WeakPolarHBondContact O-CG1 3.5Å; V207-I211 PolarHBondContact O-N 2.81Å; K208-I211 PolarHBondContact O-N 3.41Å; I211-A213 VanDerWaalsContact C-N 3.29Å; I211-A213 PolarHBondContact O-N 2.85Å; I211-Y214 WeakPolarHBondContact O-CB 3.18Å; I211-Y214 PolarHBondContact O-N 3.3Å; I211-L215 HydrophobicContact CG2-CD1 3.8Å; I211-L215 HydrophobicContact CG2-CG 4.14Å; I211-L215 WeakPolarHBondContact O-CB 3.33Å; I211-L215 VanDerWaalsContact O-CG 3.23Å; I211-L215 WeakPolarHBondContact O-CG 3.28Å; I211-L215 PolarHBondContact O-N 3.02Å
212	L	97.6	Very high	90.8	Very high	58 Å²	58	69.1 Å²	69.1	30%	0.304	36%	0.359	S	S	.	.	H	α-helix	trans	-62	-36.9	177.1	-75.5	171.8	0	0	0	112.2	L89 K208 T209 L215 K216	L89-L212 HydrophobicContact CD2-CD2 3.66Å; L89-L212 HydrophobicContact CD2-CG 4.22Å; K208-L212 HydrophobicContact CG-CD1 4.06Å; K208-L212 WeakPolarHBondContact O-CB 3.44Å; K208-L212 WeakPolarHBondContact O-CG 3.49Å; K208-L212 PolarHBondContact O-N 3.05Å; T209-L212 PolarHBondContact O-N 2.93Å; L212-L215 PolarHBondContact O-N 2.89Å; L212-K216 WeakPolarHBondContact O-CG 3.35Å; L212-K216 PolarHBondContact O-N 3.41Å
213	A	97.1	Very high	90.5	Very high	58 Å²	58	72.6 Å²	72.6	48%	0.479	38%	0.377	S	S	.	.	H	α-helix	trans	-64.4	-45.2	174.1	0	0	0	0	0	111.4	T209 D210 I211 K216	T209-A213 WeakPolarHBondContact O-CB 3.38Å; T209-A213 PolarHBondContact O-N 2.89Å; D210-A213 WeakPolarHBondContact O-CB 3.17Å; D210-A213 PolarHBondContact O-N 3.08Å; I211-A213 VanDerWaalsContact C-N 3.29Å; I211-A213 PolarHBondContact O-N 2.85Å; A213-K216 WeakPolarHBondContact O-CB 3.45Å; A213-K216 PolarHBondContact O-N 3.13Å
214	Y	96.8	Very high	90.1	Very high	30 Å²	30	72.4 Å²	72.4	12%	0.118	37%	0.372	C	S	.	.	H	α-helix	trans	-59.7	-45.6	174	175.3	-108	0	0	0	111.9	H63 L187 V195 M196 D210 I211 K216 Q217 F218	H63-Y214 AromaticContact CE1-CE1 3.86Å; H63-Y214 AromaticContact ND1-CE1 3.65Å; L187-Y214 HydrophobicContact CD2-CD1 3.82Å; L187-Y214 HydrophobicContact CD2-CE1 4.2Å; L187-Y214 HydrophobicContact CD2-CG 4.26Å; V195-Y214 HydrophobicContact CB-CE2 4.33Å; V195-Y214 HydrophobicContact CG1-CD2 3.6Å; V195-Y214 HydrophobicContact CG1-CE1 4.38Å; V195-Y214 HydrophobicContact CG1-CE2 3.32Å; V195-Y214 HydrophobicContact CG1-CG 4.25Å; V195-Y214 HydrophobicContact CG2-CE1 4.21Å; V195-Y214 HydrophobicContact CG2-CE2 4.01Å; V195-Y214 WeakPolarHBondContact CG2-OH 3.48Å; M196-Y214 HydrophobicContact CE-CD2 4.29Å; M196-Y214 HydrophobicContact CE-CG 4.29Å; D210-Y214 PolarHBondContact O-N 3.48Å; I211-Y214 WeakPolarHBondContact O-CB 3.18Å; I211-Y214 PolarHBondContact O-N 3.3Å; Y214-K216 PolarHBondContact O-N 2.86Å; Y214-Q217 WeakPolarHBondContact O-CG 3.44Å; Y214-Q217 PolarHBondContact O-N 2.91Å; Y214-F218 HydrophobicContact CD1-CE2 4.19Å; Y214-F218 AromaticContact CE1-CE2 3.6Å; Y214-F218 HydrophobicContact CE1-CE2 3.6Å; Y214-F218 HydrophobicContact CE1-CZ 4.2Å; Y214-F218 HydrophobicContact CE2-CE2 4.26Å; Y214-F218 AromaticContact CZ-CE2 3.62Å; Y214-F218 AromaticContact CZ-CZ 3.91Å
215	L	95.8	Very high	89.6	Confident	13 Å²	13	76.4 Å²	76.4	7%	0.068	39%	0.393	C	S	.	.	H	α-helix	trans	-62.5	-26.1	-179.1	-70.8	172.7	0	0	0	113.7	H63 Y92 I211 L212 Q217 F218	H63-L215 VanDerWaalsContact CD2-CD2 3.41Å; H63-L215 WeakPolarHBondContact CD2-CD2 3.41Å; H63-L215 WeakPolarHBondContact NE2-CD2 2.94Å; Y92-L215 HydrophobicContact CG-CD1 4.19Å; I211-L215 HydrophobicContact CG2-CD1 3.8Å; I211-L215 HydrophobicContact CG2-CG 4.14Å; I211-L215 WeakPolarHBondContact O-CB 3.33Å; I211-L215 VanDerWaalsContact O-CG 3.23Å; I211-L215 WeakPolarHBondContact O-CG 3.28Å; I211-L215 PolarHBondContact O-N 3.02Å; L212-L215 PolarHBondContact O-N 2.89Å; L215-Q217 PolarHBondContact O-N 3.28Å; L215-F218 PolarHBondContact O-N 2.86Å; L215-F218 VanDerWaalsContact O-N 3.11Å
216	K	94.5	Very high	89.1	Confident	148 Å²	148	76.4 Å²	76.4	64%	0.643	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	-61	-25.8	177.5	-74.5	171	-175.3	-179.6	0	112.9	L212 A213 Y214 F218 K219 T220	L212-K216 WeakPolarHBondContact O-CG 3.35Å; L212-K216 PolarHBondContact O-N 3.41Å; A213-K216 WeakPolarHBondContact O-CB 3.45Å; A213-K216 PolarHBondContact O-N 3.13Å; Y214-K216 PolarHBondContact O-N 2.86Å; K216-F218 PolarHBondContact O-N 3.28Å; K216-K219 PolarHBondContact O-N 2.93Å; K216-T220 PolarHBondContact O-OG1 2.83Å; K216-T220 VanDerWaalsContact O-OG1 3.11Å
217	Q	90.1	Very high	88.5	Confident	100 Å²	100	78.9 Å²	78.9	47%	0.467	39%	0.391	S	S	.	.	G	3₁₀ helix	trans	-69.4	-17.6	178.2	85.9	-168.2	9.6	0	0	113.4	Y214 L215 T220	Y214-Q217 WeakPolarHBondContact O-CG 3.44Å; Y214-Q217 PolarHBondContact O-N 2.91Å; L215-Q217 PolarHBondContact O-N 3.28Å; Q217-T220 PolarHBondContact O-OG1 3.09Å
218	F	87.6	Confident	87.8	Confident	84 Å²	84	84.4 Å²	84.4	37%	0.368	42%	0.418	S	S	.	.	G	3₁₀ helix	trans	-94.6	-17.5	178.5	-63.3	-86.2	0	0	0	113.1	H63 P190 Y214 L215 K216 T220	H63-F218 AromaticContact CE1-CE2 3.75Å; P190-F218 HydrophobicContact CG-CE1 3.96Å; P190-F218 HydrophobicContact CG-CZ 4.04Å; Y214-F218 HydrophobicContact CD1-CE2 4.19Å; Y214-F218 AromaticContact CE1-CE2 3.6Å; Y214-F218 HydrophobicContact CE1-CE2 3.6Å; Y214-F218 HydrophobicContact CE1-CZ 4.2Å; Y214-F218 HydrophobicContact CE2-CE2 4.26Å; Y214-F218 AromaticContact CZ-CE2 3.62Å; Y214-F218 AromaticContact CZ-CZ 3.91Å; L215-F218 PolarHBondContact O-N 2.86Å; L215-F218 VanDerWaalsContact O-N 3.11Å; K216-F218 PolarHBondContact O-N 3.28Å; F218-T220 VanDerWaalsContact C-N 3.3Å
219	K	73.3	Confident	86.9	Confident	136 Å²	136	85.9 Å²	85.9	59%	0.591	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-6.5	177.2	-68.3	-171.8	177.7	-176.3	0	113.7	Y92 K216	Y92-K219 VanDerWaalsContact CE1-NZ 3.31Å; K216-K219 PolarHBondContact O-N 2.93Å
220	T	58	Low	86	Confident	119 Å²	119	85.8 Å²	85.8	73%	0.73	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.4	16.1	-176	21.5	0	0	0	0	113.2	K216 Q217 F218	K216-T220 PolarHBondContact O-OG1 2.83Å; K216-T220 VanDerWaalsContact O-OG1 3.11Å; Q217-T220 PolarHBondContact O-OG1 3.09Å; F218-T220 VanDerWaalsContact C-N 3.3Å
221	K	45.2	Very low	84.9	Confident	249 Å²	249	90.5 Å²	90.5	100%	1.083	44%	0.441	S	S	*	.			trans	-117.2	0	169.5	-68.2	-175	179.1	-178.5	0	109.2

Retrieved 221 of 221 residues in 618.1 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).