A0A077ZDU9_TRITR Loading...

cathepsin X

AlphaFold DB , UniProt , Accession A0A077ZDU9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 304 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32	Very low	30.7	Very low	245 Å²	245	153.7 Å²	153.7	100%	1.207	81%	0.805	S	S	*	*				0	142.7	0	-76.5	-174.5	-172.6	0	0	108.6
2	A	35.9	Very low	30.4	Very low	96 Å²	96	154.6 Å²	154.6	79%	0.793	80%	0.802	S	S	*	*			trans	63.9	113.5	168.5	0	0	0	0	0	115.7
3	A	30.1	Very low	30.1	Very low	78 Å²	78	152.6 Å²	152.6	65%	0.645	80%	0.801	S	S	*	*			cis	54.8	108.9	45.9	0	0	0	0	0	112.8
4	F	33.8	Very low	30.1	Very low	201 Å²	201	153.4 Å²	153.4	88%	0.882	81%	0.806	S	S	*	*				176.4	136.2	97.8	-104.7	-85.9	0	0	0	112.1
5	T	27	Very low	29.8	Very low	103 Å²	103	149.7 Å²	149.7	63%	0.632	80%	0.798	S	S	*	*			trans	-52.8	151.2	163.2	-35.2	0	0	0	0	112.9
6	L	35.1	Very low	29.5	Very low	171 Å²	171	154.9 Å²	154.9	90%	0.895	80%	0.804	S	S	*	*			trans	-164.5	122.2	130.6	-104.4	152.8	0	0	0	112.8
7	Q	26.2	Very low	29.7	Very low	158 Å²	158	157.2 Å²	157.2	74%	0.738	81%	0.809	S	S	*	*			trans	-63	152	165.1	-78	147.2	-55.2	0	0	112.6
8	R	32.4	Very low	29.6	Very low	223 Å²	223	159.4 Å²	159.4	84%	0.842	81%	0.812	S	S	*	*				170.5	125.6	108.6	-97.9	176	-178.1	-112.4	0.1	113.9
9	T	30.2	Very low	29.8	Very low	110 Å²	110	161.8 Å²	161.8	68%	0.675	82%	0.816	S	S	*	*			trans	48.4	116.2	136.7	54.1	0	0	0	0	119.9
10	M	28.2	Very low	30	Very low	171 Å²	171	164.8 Å²	164.8	84%	0.842	82%	0.817	S	S	*	*				57.2	137.9	92.7	-71.1	-167.5	-168.9	0	0	113.9
11	L	26.7	Very low	30	Very low	135 Å²	135	166.1 Å²	166.1	71%	0.707	82%	0.821	S	S	*	*			cis	-172	157.7	-5.5	-112.7	167	0	0	0	104.3
12	Q	26.9	Very low	30	Very low	164 Å²	164	159.3 Å²	159.3	77%	0.766	79%	0.793	S	S	*	*			trans	71.9	109.1	159.4	-66.3	170.4	0.1	0	0	118.7
13	T	27.3	Very low	29.8	Very low	129 Å²	129	159.9 Å²	159.9	79%	0.791	79%	0.792	S	S	*	*				178	133.3	102.8	36.5	0	0	0	0	107.8
14	N	29.2	Very low	30.1	Very low	163 Å²	163	162.7 Å²	162.7	87%	0.872	80%	0.796	S	S	*	*			trans	-176.7	96.5	147.4	-90.3	-20.8	0	0	0	108.6
15	S	25.8	Very low	30.2	Very low	98 Å²	98	163.2 Å²	163.2	69%	0.685	79%	0.793	S	S	*	*			trans	-61.4	138.2	153.6	53.4	0	0	0	0	108.9
16	W	25.1	Very low	30.7	Very low	234 Å²	234	165.8 Å²	165.8	89%	0.886	80%	0.802	S	S	*	*			trans	162.6	94.7	146.1	-81.1	113.2	0	0	0	107.9
17	H	32.5	Very low	30.9	Very low	194 Å²	194	167.3 Å²	167.3	90%	0.898	80%	0.802	S	S	*	*			trans	-143.6	105.2	159.4	-86.4	-56.8	0	0	0	112	K19	H17-K19 PolarHBondContact O-N 2.76Å
18	F	28.8	Very low	31.4	Very low	196 Å²	196	167.3 Å²	167.3	86%	0.86	81%	0.806	S	S	*	*			trans	-19	111.5	156.5	-165.8	-108.1	0	0	0	115.2
19	K	32.9	Very low	31.6	Very low	206 Å²	206	165.5 Å²	165.5	90%	0.896	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-84.6	118.2	168.5	-81.8	-175	175.8	-177.6	0	109.7	H17	H17-K19 PolarHBondContact O-N 2.76Å
20	R	32.9	Very low	32	Very low	220 Å²	220	167.7 Å²	167.7	83%	0.83	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-66.7	129.1	-178.1	-162	174.2	172.4	-162.9	-3	110.9	V22	R20-V22 PolarHBondContact O-N 3.21Å
21	Q	29.9	Very low	32.5	Very low	193 Å²	193	165 Å²	165	90%	0.902	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-62.3	124.9	167.6	-79.9	171.9	-32.1	0	0	109.5
22	V	33.2	Very low	33.3	Very low	102 Å²	102	165.1 Å²	165.1	62%	0.618	82%	0.816	S	S	*	*			trans	-119.1	102.7	162.1	-177.1	0	0	0	0	105.3	R20 D24	R20-V22 PolarHBondContact O-N 3.21Å; V22-D24 HydrophobicContact CG1-CB 4.22Å; V22-D24 WeakPolarHBondContact CG1-OD1 3.32Å; V22-D24 WeakPolarHBondContact CG1-OD2 3.43Å; V22-D24 PolarHBondContact O-N 2.92Å
23	S	31	Very low	34.6	Very low	109 Å²	109	163.7 Å²	163.7	76%	0.762	81%	0.812	S	S	*	*			trans	-90.1	83	169.2	170.3	0	0	0	0	106.5
24	D	36.9	Very low	36	Very low	136 Å²	136	165.4 Å²	165.4	73%	0.727	81%	0.811	S	S	*	*			trans	-90.3	117.8	173.4	-77.5	-17.9	0	0	0	109.5	V22	V22-D24 HydrophobicContact CG1-CB 4.22Å; V22-D24 WeakPolarHBondContact CG1-OD1 3.32Å; V22-D24 WeakPolarHBondContact CG1-OD2 3.43Å; V22-D24 PolarHBondContact O-N 2.92Å
25	Y	34.8	Very low	38.2	Very low	212 Å²	212	161.1 Å²	161.1	83%	0.831	79%	0.788	S	S	*	*			trans	-30.4	127.8	174.3	-68.6	-96.8	0	0	0	114.9	F27	Y25-F27 PolarHBondContact O-N 3.43Å
26	L	38.8	Very low	41.3	Very low	158 Å²	158	159.2 Å²	159.2	83%	0.827	77%	0.77	S	S	*	*			trans	-21.6	117.5	158.4	-135.4	75.7	0	0	0	112.4	L28	L26-L28 PolarHBondContact O-N 3.18Å
27	F	38.6	Very low	44.7	Very low	203 Å²	203	153.4 Å²	153.4	89%	0.89	75%	0.748	S	S	*	*			trans	-53.5	101.5	168.1	-71.2	-94.8	0	0	0	109.2	Y25 E29	Y25-F27 PolarHBondContact O-N 3.43Å; F27-E29 PolarHBondContact O-N 3.41Å; F27-E29 VanDerWaalsContact O-N 3.13Å
28	L	36.5	Very low	47.6	Very low	157 Å²	157	149.4 Å²	149.4	82%	0.822	73%	0.725	S	S	*	*			trans	-69.5	104.3	163.7	-71.2	170.9	0	0	0	106.4	L26 L30	L26-L28 PolarHBondContact O-N 3.18Å; L28-L30 PolarHBondContact O-N 3.45Å; L28-L30 VanDerWaalsContact O-N 3.12Å
29	E	37.4	Very low	50.8	Low	186 Å²	186	144.6 Å²	144.6	87%	0.869	71%	0.712	S	S	*	*			trans	-58.2	114.5	170	-66.5	-166.3	169.4	0	0	108.6	F27	F27-E29 PolarHBondContact O-N 3.41Å; F27-E29 VanDerWaalsContact O-N 3.13Å
30	L	38.2	Very low	53.7	Low	156 Å²	156	138.4 Å²	138.4	82%	0.817	69%	0.691	S	S	*	*			trans	-63.8	131	170.2	-71	168.8	0	0	0	107.8	L28 T32	L28-L30 PolarHBondContact O-N 3.45Å; L28-L30 VanDerWaalsContact O-N 3.12Å; L30-T32 PolarHBondContact O-N 3.31Å
31	P	39.6	Very low	56.7	Low	115 Å²	115	135.6 Å²	135.6	75%	0.747	68%	0.681	S	S	*	*			trans	-57.9	126	178.5	21.9	-30.7	0	0	0	109.3	I33	P31-I33 PolarHBondContact O-N 2.78Å
32	T	43	Very low	59.9	Low	136 Å²	136	126.6 Å²	126.6	83%	0.834	64%	0.639	S	S	*	*			trans	-57.3	109.6	170.5	33.2	0	0	0	0	108	L30 Q34	L30-T32 PolarHBondContact O-N 3.31Å; T32-Q34 PolarHBondContact O-N 3.01Å
33	I	54.3	Low	63	Low	135 Å²	135	122 Å²	122	69%	0.692	61%	0.611	S	S	*	*			trans	-62	105.7	172.5	-63.3	172.7	0	0	0	106.1	P31 L35	P31-I33 PolarHBondContact O-N 2.78Å; I33-L35 VanDerWaalsContact C-N 3.31Å; I33-L35 HydrophobicContact CG2-CD2 3.97Å; I33-L35 HydrophobicContact CG2-CG 4.08Å; I33-L35 PolarHBondContact O-N 3.4Å
34	Q	56.5	Low	66.1	Low	164 Å²	164	119.8 Å²	119.8	77%	0.766	59%	0.588	S	S	*	*			trans	-76.1	87.2	-179.9	-160.4	175.9	5.4	0	0	108.3	T32 I36	T32-Q34 PolarHBondContact O-N 3.01Å; Q34-I36 PolarHBondContact O-N 3.44Å
35	L	76.2	Confident	69	Low	73 Å²	73	116.9 Å²	116.9	38%	0.382	57%	0.571	S	S	.	*			trans	-70.3	-6.2	-180	-71.4	169.4	0	0	0	113.5	I33 L129 Y184	I33-L35 VanDerWaalsContact C-N 3.31Å; I33-L35 HydrophobicContact CG2-CD2 3.97Å; I33-L35 HydrophobicContact CG2-CG 4.08Å; I33-L35 PolarHBondContact O-N 3.4Å; L35-L129 HydrophobicContact CB-CD2 3.71Å; L35-L129 WeakPolarHBondContact O-CD2 2.93Å; L35-Y184 WeakPolarHBondContact O-CE2 3.43Å
36	I	90.5	Very high	71.9	Confident	59 Å²	59	110.9 Å²	110.9	30%	0.303	55%	0.547	S	S	.	.			trans	-121.1	128.6	-175.1	-64.3	178	0	0	0	108.9	Q34 R38 L129 Y184 E186	Q34-I36 PolarHBondContact O-N 3.44Å; I36-R38 HydrophobicContact CG2-CB 4.2Å; I36-L129 HydrophobicContact CG1-CD2 3.95Å; I36-Y184 WeakPolarHBondContact CG2-O 3.14Å; I36-E186 HydrophobicContact CD1-CB 4.47Å; I36-E186 HydrophobicContact CD1-CG 4.03Å
37	Y	95.3	Very high	74.6	Confident	111 Å²	111	107.7 Å²	107.7	44%	0.435	54%	0.536	S	S	.	.	B	Isolated β-bridge	trans	-115.3	108.9	171.1	-169.8	-94.1	0	0	0	109.4	T39 H136 D183 Y184	Y37-T39 HydrophobicContact CD1-CG2 4.16Å; Y37-T39 HydrophobicContact CE1-CG2 3.39Å; Y37-H136 AromaticContact CD1-CE1 3.53Å; Y37-H136 AromaticContact CE1-CE1 3.77Å; Y37-H136 AromaticContact CG-CE1 3.82Å; Y37-D183 CarbonylContact O-C 3.08Å; Y37-D183 WeakPolarHBondContact O-CA 3.16Å; Y37-Y184 CarbonylContact C-O 3.44Å; Y37-Y184 HydrophobicContact CG-CE1 4.48Å; Y37-Y184 PolarHBondContact N-O 2.82Å; Y37-Y184 VanDerWaalsContact N-O 3.12Å; Y37-Y184 PolarHBondContact O-N 2.99Å
38	R	94.7	Very high	77.3	Confident	111 Å²	111	103.1 Å²	103.1	42%	0.419	52%	0.517	S	S	.	.			trans	-135.6	114.1	-175.5	-179.6	-178.6	163.1	-162.1	-20.8	110.1	I36 T40 E45 Y291	I36-R38 HydrophobicContact CG2-CB 4.2Å; R38-T40 VanDerWaalsContact CG-O 3.3Å; R38-T40 WeakPolarHBondContact CG-O 3.5Å; R38-T40 PolarHBondContact NE-O 3.23Å; R38-E45 IonicContact CZ-OE1 2.75Å; R38-E45 IonicContact CZ-OE2 3.52Å; R38-E45 IonicContact NH1-OE1 3.79Å; R38-E45 IonicContact NH2-OE1 3.37Å; R38-E45 PolarHBondContact NH2-OE1 3.3Å; R38-E45 IonicContact NH2-OE2 2.65Å; R38-E45 PolarHBondContact NH2-OE2 2.95Å; R38-Y291 WeakPolarHBondContact CD-OH 3.3Å
39	T	95.1	Very high	80	Confident	94 Å²	94	96.5 Å²	96.5	58%	0.577	48%	0.482	S	S	*	.			trans	-102.9	-17.9	179.3	66.4	0	0	0	0	112.6	Y37 D183	Y37-T39 HydrophobicContact CD1-CG2 4.16Å; Y37-T39 HydrophobicContact CE1-CG2 3.39Å; T39-D183 WeakPolarHBondContact CB-OD1 3.02Å; T39-D183 WeakPolarHBondContact CG2-OD1 3.07Å; T39-D183 VanDerWaalsContact N-CG 3.26Å; T39-D183 PolarHBondContact N-OD1 2.86Å; T39-D183 VanDerWaalsContact N-OD1 3.14Å; T39-D183 PolarHBondContact N-OD2 2.83Å; T39-D183 PolarHBondContact OG1-OD1 2.05Å; T39-D183 PolarHBondContact OG1-OD2 3.49Å
40	T	93.7	Very high	82.7	Confident	76 Å²	76	89.8 Å²	89.8	47%	0.466	45%	0.451	S	S	.	.	S	Bend	trans	-125	162.3	-175.7	60.9	0	0	0	0	113.5	R38 D183	R38-T40 VanDerWaalsContact CG-O 3.3Å; R38-T40 WeakPolarHBondContact CG-O 3.5Å; R38-T40 PolarHBondContact NE-O 3.23Å; T40-D183 PolarHBondContact N-OD2 3.22Å; T40-D183 PolarHBondContact OG1-OD2 2.93Å
41	R	96.4	Very high	85.4	Confident	162 Å²	162	91.3 Å²	91.3	61%	0.611	45%	0.451	S	S	*	.			trans	-71.5	143.6	169.2	-73.2	-176.8	-176.5	168.5	1.8	110.5	E45 Y46	R41-E45 WeakPolarHBondContact CA-OE2 3.47Å; R41-E45 HydrophobicContact CB-CB 4.44Å; R41-E45 VanDerWaalsContact CB-OE2 3.25Å; R41-E45 WeakPolarHBondContact CB-OE2 3.49Å; R41-Y46 HydrophobicContact CB-CE2 3.59Å; R41-Y46 WeakPolarHBondContact CB-OH 3.37Å
42	R	97.3	Very high	88.1	Confident	4 Å²	4	92.7 Å²	92.7	2%	0.015	45%	0.446	C	S	.	.			trans	-83.4	158.3	177.2	-58.7	-41.2	-62	177.9	-6.9	111	H44 E45 Y46 E196 N200 Y291 D293	R42-H44 VanDerWaalsContact CB-CE1 3.45Å; R42-H44 WeakPolarHBondContact CB-CE1 3.28Å; R42-H44 PolarHBondContact O-N 3.05Å; R42-H44 VanDerWaalsContact O-N 3.12Å; R42-E45 PolarHBondContact N-OE2 3.22Å; R42-E45 WeakPolarHBondContact O-CB 3.33Å; R42-E45 PolarHBondContact O-N 3.27Å; R42-Y46 VanDerWaalsContact O-CD2 3.3Å; R42-Y46 WeakPolarHBondContact O-CD2 3.47Å; R42-E196 IonicContact CZ-OE1 2.78Å; R42-E196 IonicContact CZ-OE2 3.02Å; R42-E196 IonicContact NE-OE2 3.58Å; R42-E196 PolarHBondContact NE-OE2 3.17Å; R42-E196 IonicContact NH2-OE1 2.97Å; R42-E196 PolarHBondContact NH2-OE1 3.41Å; R42-E196 IonicContact NH2-OE2 3.47Å; R42-E196 PolarHBondContact NH2-OE2 3.12Å; R42-N200 PolarHBondContact NH2-ND2 3.23Å; R42-Y291 WeakPolarHBondContact CD-OH 3.1Å; R42-Y291 HydrophobicContact CG-CE1 4.18Å; R42-Y291 VanDerWaalsContact CZ-CD2 3.41Å; R42-D293 IonicContact CZ-OD1 3.1Å; R42-D293 IonicContact CZ-OD2 3.88Å; R42-D293 IonicContact NH1-OD1 2.65Å; R42-D293 IonicContact NH1-OD2 2.96Å; R42-D293 PolarHBondContact NH1-OD2 3.15Å; R42-D293 IonicContact NH2-OD1 3.53Å; R42-D293 PolarHBondContact NH2-OD1 3.21Å; R42-D293 IonicContact NH2-OD2 2.75Å; R42-D293 PolarHBondContact NH2-OD2 3.47Å
43	P	97.8	Very high	90.7	Very high	6 Å²	6	88 Å²	88	4%	0.039	42%	0.415	C	S	.	.	G	3₁₀ helix	trans	-55.4	-34.8	-173.9	-29.9	39.3	0	0	0	114.7	E45 Y46 I49 A195 E196 K199 N200	P43-E45 VanDerWaalsContact C-N 3.26Å; P43-E45 PolarHBondContact O-N 3.34Å; P43-Y46 PolarHBondContact O-N 2.86Å; P43-I49 HydrophobicContact CB-CD1 3.99Å; P43-I49 HydrophobicContact CB-CG2 4.18Å; P43-A195 HydrophobicContact CB-CB 3.96Å; P43-A195 VanDerWaalsContact CB-O 3.28Å; P43-A195 WeakPolarHBondContact CB-O 3.11Å; P43-E196 WeakPolarHBondContact CD-OE2 3.3Å; P43-K199 HydrophobicContact CB-CB 3.77Å; P43-K199 HydrophobicContact CB-CG 4.15Å; P43-K199 HydrophobicContact CG-CB 3.58Å; P43-K199 HydrophobicContact CG-CG 3.8Å; P43-N200 VanDerWaalsContact CG-ND2 3.27Å; P43-N200 WeakPolarHBondContact CG-ND2 3.25Å
44	H	96.8	Very high	92.7	Very high	62 Å²	62	83.3 Å²	83.3	29%	0.287	39%	0.394	S	S	.	.	G	3₁₀ helix	trans	-71.3	-17.1	-178.9	63.3	-95.1	0	0	0	114.5	R42 Y46 M50 A192 A195	R42-H44 VanDerWaalsContact CB-CE1 3.45Å; R42-H44 WeakPolarHBondContact CB-CE1 3.28Å; R42-H44 PolarHBondContact O-N 3.05Å; R42-H44 VanDerWaalsContact O-N 3.12Å; H44-Y46 PolarHBondContact O-N 2.77Å; H44-M50 HydrophobicContact CB-SD 4.08Å; H44-A192 HydrophobicContact CB-CB 3.92Å; H44-A195 HydrophobicContact CB-CB 3.93Å
45	E	97.3	Very high	94.7	Very high	75 Å²	75	83.4 Å²	83.4	35%	0.35	39%	0.392	S	S	.	.	G	3₁₀ helix	trans	-81.4	-0.4	174.5	-62.7	170.3	119.3	0	0	112.4	R38 R41 R42 P43	R38-E45 IonicContact CZ-OE1 2.75Å; R38-E45 IonicContact CZ-OE2 3.52Å; R38-E45 IonicContact NH1-OE1 3.79Å; R38-E45 IonicContact NH2-OE1 3.37Å; R38-E45 PolarHBondContact NH2-OE1 3.3Å; R38-E45 IonicContact NH2-OE2 2.65Å; R38-E45 PolarHBondContact NH2-OE2 2.95Å; R41-E45 WeakPolarHBondContact CA-OE2 3.47Å; R41-E45 HydrophobicContact CB-CB 4.44Å; R41-E45 VanDerWaalsContact CB-OE2 3.25Å; R41-E45 WeakPolarHBondContact CB-OE2 3.49Å; R42-E45 PolarHBondContact N-OE2 3.22Å; R42-E45 WeakPolarHBondContact O-CB 3.33Å; R42-E45 PolarHBondContact O-N 3.27Å; P43-E45 VanDerWaalsContact C-N 3.26Å; P43-E45 PolarHBondContact O-N 3.34Å
46	Y	96.8	Very high	95.7	Very high	85 Å²	85	84.8 Å²	84.8	33%	0.333	40%	0.396	S	S	.	.			trans	-109.4	106.6	177.2	-65.6	-79.4	0	0	0	110.9	R41 R42 P43 H44 H48 I49 M50	R41-Y46 HydrophobicContact CB-CE2 3.59Å; R41-Y46 WeakPolarHBondContact CB-OH 3.37Å; R42-Y46 VanDerWaalsContact O-CD2 3.3Å; R42-Y46 WeakPolarHBondContact O-CD2 3.47Å; P43-Y46 PolarHBondContact O-N 2.86Å; H44-Y46 PolarHBondContact O-N 2.77Å; Y46-H48 AromaticContact CD1-CE1 3.83Å; Y46-H48 AromaticContact CG-CE1 3.97Å; Y46-H48 PolarHBondContact O-N 2.79Å; Y46-I49 HydrophobicContact CD2-CD1 4.14Å; Y46-I49 HydrophobicContact CG-CD1 4.31Å; Y46-I49 PolarHBondContact O-N 3.47Å; Y46-M50 PolarHBondContact O-N 3.31Å
47	P	94.9	Very high	96.1	Very high	92 Å²	92	85 Å²	85	60%	0.597	39%	0.393	S	S	*	.	H	α-helix	trans	-56.8	-28.3	-177.1	-28.7	35.2	0	0	0	115	I49 K51	P47-I49 VanDerWaalsContact C-N 3.34Å; P47-K51 WeakPolarHBondContact O-CG 3.02Å; P47-K51 PolarHBondContact O-N 3.06Å
48	H	95	Very high	96.2	Very high	107 Å²	107	82.1 Å²	82.1	50%	0.495	39%	0.385	S	S	.	.	H	α-helix	trans	-75.2	-21.8	179.3	69.9	-91	0	0	0	113.5	Y46 K52	Y46-H48 AromaticContact CD1-CE1 3.83Å; Y46-H48 AromaticContact CG-CE1 3.97Å; Y46-H48 PolarHBondContact O-N 2.79Å; H48-K52 WeakPolarHBondContact O-CD 3.45Å; H48-K52 VanDerWaalsContact O-CG 3.3Å; H48-K52 WeakPolarHBondContact O-CG 3.09Å
49	I	93.8	Very high	96.4	Very high	18 Å²	18	78 Å²	78	9%	0.092	37%	0.37	C	S	.	.	H	α-helix	trans	-76.5	-46.7	172.7	-63.6	-177.5	0	0	0	108.7	P43 Y46 P47 K51 K52 L53 A195 K199	P43-I49 HydrophobicContact CB-CD1 3.99Å; P43-I49 HydrophobicContact CB-CG2 4.18Å; Y46-I49 HydrophobicContact CD2-CD1 4.14Å; Y46-I49 HydrophobicContact CG-CD1 4.31Å; Y46-I49 PolarHBondContact O-N 3.47Å; P47-I49 VanDerWaalsContact C-N 3.34Å; I49-K51 VanDerWaalsContact C-N 3.26Å; I49-K51 PolarHBondContact O-N 2.05Å; I49-K52 WeakPolarHBondContact O-CA 3.46Å; I49-K52 PolarHBondContact O-N 3Å; I49-L53 HydrophobicContact CG2-CD2 4.44Å; I49-L53 PolarHBondContact O-N 2.97Å; I49-A195 HydrophobicContact CG2-CB 4.29Å; I49-K199 HydrophobicContact CD1-CG 4.39Å
50	M	94.8	Very high	96.6	Very high	45 Å²	45	74.7 Å²	74.7	22%	0.222	35%	0.35	C	S	.	.	H	α-helix	trans	-53.5	-43.1	177.5	-63.2	-51.3	-58.5	0	0	112.5	H44 Y46 K52 L53 E191 A195	H44-M50 HydrophobicContact CB-SD 4.08Å; Y46-M50 PolarHBondContact O-N 3.31Å; M50-K52 PolarHBondContact O-N 3.03Å; M50-L53 HydrophobicContact CE-CD1 3.79Å; M50-L53 PolarHBondContact O-N 3.32Å; M50-L53 HydrophobicContact SD-CD1 4.23Å; M50-E191 HydrophobicContact CE-CB 3.56Å; M50-E191 HydrophobicContact CE-CG 3.98Å; M50-A195 HydrophobicContact SD-CB 3.65Å
51	K	94.9	Very high	96.8	Very high	187 Å²	187	75.4 Å²	75.4	81%	0.813	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-13	177.3	-70.3	177.2	-178.6	-175.6	0	114.8	P47 I49	P47-K51 WeakPolarHBondContact O-CG 3.02Å; P47-K51 PolarHBondContact O-N 3.06Å; I49-K51 VanDerWaalsContact C-N 3.26Å; I49-K51 PolarHBondContact O-N 2.05Å
52	K	95.3	Very high	96.8	Very high	145 Å²	145	68.3 Å²	68.3	63%	0.63	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.2	2.7	-175.3	-72.1	-178	-179.8	-174.1	0	113.2	H48 I49 M50	H48-K52 WeakPolarHBondContact O-CD 3.45Å; H48-K52 VanDerWaalsContact O-CG 3.3Å; H48-K52 WeakPolarHBondContact O-CG 3.09Å; I49-K52 WeakPolarHBondContact O-CA 3.46Å; I49-K52 PolarHBondContact O-N 3Å; M50-K52 PolarHBondContact O-N 3.03Å
53	L	97.4	Very high	96.7	Very high	36 Å²	36	71.5 Å²	71.5	19%	0.188	36%	0.362	C	S	.	.			trans	-61.2	128	177.8	-62.8	177.6	0	0	0	109.6	I49 M50 M194 A195 Y198 W239	I49-L53 HydrophobicContact CG2-CD2 4.44Å; I49-L53 PolarHBondContact O-N 2.97Å; M50-L53 HydrophobicContact CE-CD1 3.79Å; M50-L53 PolarHBondContact O-N 3.32Å; M50-L53 HydrophobicContact SD-CD1 4.23Å; L53-M194 HydrophobicContact CD1-CB 3.86Å; L53-A195 HydrophobicContact CD1-CB 4.48Å; L53-A195 HydrophobicContact CD2-CB 4.25Å; L53-Y198 HydrophobicContact CD2-CD1 3.87Å; L53-Y198 HydrophobicContact CD2-CG 4.11Å; L53-W239 HydrophobicContact CD2-CH2 4.49Å
54	P	97.6	Very high	96.6	Very high	38 Å²	38	78.2 Å²	78.2	25%	0.247	40%	0.397	C	S	.	.			trans	-71	159.1	176.2	32.4	-36.9	0	0	0	110.4	E56 W57 Y198 W239	P54-E56 WeakPolarHBondContact CB-O 3.42Å; P54-E56 VanDerWaalsContact CG-O 3.31Å; P54-E56 WeakPolarHBondContact CG-O 3.37Å; P54-E56 PolarHBondContact O-N 3.29Å; P54-W57 HydrophobicContact CG-CB 4.03Å; P54-W57 HydrophobicContact CG-CD2 4.3Å; P54-W57 HydrophobicContact CG-CE3 3.78Å; P54-W57 HydrophobicContact CG-CG 4.45Å; P54-Y198 HydrophobicContact CG-CD2 3.91Å; P54-Y198 HydrophobicContact CG-CE2 3.84Å; P54-W239 HydrophobicContact CG-CZ2 4.04Å; P54-W239 WeakPolarHBondContact O-CZ2 3.35Å; P54-W239 PolarHBondContact O-NE1 3.39Å; P54-W239 VanDerWaalsContact O-NE1 3.11Å
55	K	96.6	Very high	96.6	Very high	166 Å²	166	79 Å²	79	72%	0.722	40%	0.403	S	S	*	.	S	Bend	trans	-61.1	-31.6	172.2	-73	-170.9	174.8	-169.9	0	112.2	W239 I241	K55-W239 PolarHBondContact O-NE1 2.78Å; K55-W239 VanDerWaalsContact O-NE1 3.07Å; K55-I241 HydrophobicContact CB-CD1 4.14Å; K55-I241 HydrophobicContact CD-CD1 4.47Å; K55-I241 HydrophobicContact CG-CD1 4.42Å
56	E	98.2	Very high	96.6	Very high	101 Å²	101	80.3 Å²	80.3	47%	0.472	41%	0.412	S	S	.	.			trans	-139.1	145.3	-178.9	-53.2	177.3	-158.2	0	0	109.9	P54 W239	P54-E56 WeakPolarHBondContact CB-O 3.42Å; P54-E56 VanDerWaalsContact CG-O 3.31Å; P54-E56 WeakPolarHBondContact CG-O 3.37Å; P54-E56 PolarHBondContact O-N 3.29Å; E56-W239 WeakPolarHBondContact CA-O 3.3Å
57	W	98.5	Very high	96.7	Very high	63 Å²	63	77.6 Å²	77.6	24%	0.239	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	136	176	-167.3	-105.8	0	0	0	110.4	P54 W59 A62 Y198 G238 W239	P54-W57 HydrophobicContact CG-CB 4.03Å; P54-W57 HydrophobicContact CG-CD2 4.3Å; P54-W57 HydrophobicContact CG-CE3 3.78Å; P54-W57 HydrophobicContact CG-CG 4.45Å; W57-W59 AromaticContact CD1-CD1 3.91Å; W57-W59 AromaticContact CD1-NE1 3.7Å; W57-W59 AromaticContact CE2-CE2 3.97Å; W57-W59 HydrophobicContact CZ2-CE3 4.48Å; W57-W59 AromaticContact CZ2-CH2 3.83Å; W57-W59 HydrophobicContact CZ2-CH2 3.83Å; W57-W59 AromaticContact CZ2-CZ2 3.85Å; W57-W59 HydrophobicContact CZ2-CZ2 3.85Å; W57-W59 HydrophobicContact CZ2-CZ3 4.15Å; W57-W59 AromaticContact NE1-CD1 3.57Å; W57-W59 AromaticContact NE1-CD2 3.6Å; W57-W59 AromaticContact NE1-CE2 3.15Å; W57-W59 AromaticContact NE1-CG 3.89Å; W57-W59 AromaticContact NE1-CZ2 3.61Å; W57-W59 AromaticContact NE1-NE1 3.07Å; W57-A62 HydrophobicContact CZ2-CB 4.43Å; W57-Y198 AromaticContact CD2-CD2 3.55Å; W57-Y198 HydrophobicContact CD2-CD2 3.55Å; W57-Y198 AromaticContact CD2-CE2 3.93Å; W57-Y198 HydrophobicContact CD2-CE2 3.93Å; W57-Y198 AromaticContact CE2-CD2 3.63Å; W57-Y198 AromaticContact CE3-CD2 3.78Å; W57-Y198 HydrophobicContact CE3-CD2 3.78Å; W57-Y198 AromaticContact CE3-CE2 3.67Å; W57-Y198 HydrophobicContact CE3-CE2 3.67Å; W57-Y198 HydrophobicContact CG-CD2 4.03Å; W57-Y198 HydrophobicContact CH2-CD2 4.11Å; W57-Y198 AromaticContact CH2-CE2 3.69Å; W57-Y198 HydrophobicContact CH2-CE2 3.69Å; W57-Y198 AromaticContact CZ2-CD2 3.91Å; W57-Y198 HydrophobicContact CZ2-CD2 3.91Å; W57-Y198 AromaticContact CZ2-CE2 3.96Å; W57-Y198 HydrophobicContact CZ2-CE2 3.96Å; W57-Y198 HydrophobicContact CZ3-CD2 4.06Å; W57-Y198 AromaticContact CZ3-CE2 3.55Å; W57-Y198 HydrophobicContact CZ3-CE2 3.55Å; W57-G238 CarbonylContact O-C 3.48Å; W57-G238 WeakPolarHBondContact O-CA 3.46Å; W57-W239 HydrophobicContact CB-CD2 4.09Å; W57-W239 HydrophobicContact CB-CE3 4.06Å; W57-W239 HydrophobicContact CB-CH2 3.94Å; W57-W239 HydrophobicContact CB-CZ2 3.86Å; W57-W239 HydrophobicContact CB-CZ3 3.98Å; W57-W239 HydrophobicContact CG-CH2 4.49Å; W57-W239 PolarHBondContact N-O 2.83Å; W57-W239 PolarHBondContact O-N 2.67Å
58	N	98.6	Very high	96.9	Very high	51 Å²	51	74 Å²	74	27%	0.273	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	110.6	177.4	-178.3	-2.3	0	0	0	110.6	C60 N61 A62 I251	N58-C60 PolarHBondContact O-N 2.93Å; N58-C60 WeakPolarHBondContact OD1-CB 3.45Å; N58-C60 PolarHBondContact OD1-N 3.16Å; N58-N61 CarbonylContact O-C 3.54Å; N58-N61 VanDerWaalsContact O-C 3.27Å; N58-N61 PolarHBondContact O-N 3.21Å; N58-A62 WeakPolarHBondContact O-CA 3.23Å; N58-A62 PolarHBondContact O-N 2.81Å; N58-I251 HydrophobicContact CB-CD1 4.02Å
59	W	98.7	Very high	97	Very high	24 Å²	24	69.1 Å²	69.1	9%	0.091	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	-66.7	-20.1	178	-78.1	114.2	0	0	0	114.4	W57 N61 A62 Y67 I98 I197 Y198 P202 V237	W57-W59 AromaticContact CD1-CD1 3.91Å; W57-W59 AromaticContact CD1-NE1 3.7Å; W57-W59 AromaticContact CE2-CE2 3.97Å; W57-W59 HydrophobicContact CZ2-CE3 4.48Å; W57-W59 AromaticContact CZ2-CH2 3.83Å; W57-W59 HydrophobicContact CZ2-CH2 3.83Å; W57-W59 AromaticContact CZ2-CZ2 3.85Å; W57-W59 HydrophobicContact CZ2-CZ2 3.85Å; W57-W59 HydrophobicContact CZ2-CZ3 4.15Å; W57-W59 AromaticContact NE1-CD1 3.57Å; W57-W59 AromaticContact NE1-CD2 3.6Å; W57-W59 AromaticContact NE1-CE2 3.15Å; W57-W59 AromaticContact NE1-CG 3.89Å; W57-W59 AromaticContact NE1-CZ2 3.61Å; W57-W59 AromaticContact NE1-NE1 3.07Å; W59-N61 PolarHBondContact O-N 3.11Å; W59-A62 HydrophobicContact CE3-CB 3.78Å; W59-A62 HydrophobicContact CZ3-CB 4.15Å; W59-Y67 AromaticContact CE3-CD2 3.92Å; W59-Y67 HydrophobicContact CE3-CD2 3.92Å; W59-Y67 HydrophobicContact CE3-CE2 4.41Å; W59-Y67 HydrophobicContact CE3-CG 4.44Å; W59-Y67 HydrophobicContact CZ3-CD2 4.32Å; W59-Y67 HydrophobicContact CZ3-CE2 4.41Å; W59-Y67 WeakPolarHBondContact O-CB 3.3Å; W59-Y67 PolarHBondContact O-N 3.23Å; W59-Y67 VanDerWaalsContact O-N 3.11Å; W59-I98 HydrophobicContact CB-CD1 4.13Å; W59-I98 HydrophobicContact CD2-CD1 3.3Å; W59-I98 HydrophobicContact CD2-CG1 3.91Å; W59-I98 HydrophobicContact CE3-CD1 3.49Å; W59-I98 VanDerWaalsContact CE3-CD1 3.49Å; W59-I98 HydrophobicContact CE3-CG1 3.52Å; W59-I98 HydrophobicContact CE3-CG2 4.2Å; W59-I98 HydrophobicContact CG-CD1 3.62Å; W59-I98 HydrophobicContact CH2-CD1 4.3Å; W59-I98 HydrophobicContact CH2-CG1 4.37Å; W59-I98 HydrophobicContact CH2-CG2 3.52Å; W59-I98 HydrophobicContact CZ2-CD1 4.15Å; W59-I98 HydrophobicContact CZ2-CG2 4.14Å; W59-I98 HydrophobicContact CZ3-CB 4.3Å; W59-I98 HydrophobicContact CZ3-CD1 4Å; W59-I98 HydrophobicContact CZ3-CG1 3.78Å; W59-I98 HydrophobicContact CZ3-CG2 3.56Å; W59-I197 PolarHBondContact NE1-O 3.04Å; W59-Y198 WeakPolarHBondContact CZ2-O 3.48Å; W59-P202 HydrophobicContact CB-CG 4.11Å; W59-P202 HydrophobicContact CG-CG 4.31Å; W59-V237 VanDerWaalsContact CD1-O 3.32Å; W59-V237 PolarHBondContact N-O 3.17Å
60	C	98.3	Very high	97.2	Very high	25 Å²	25	71.9 Å²	71.9	17%	0.169	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	-76.8	-5.8	172.7	-50.3	0	0	0	0	112.8	N58 N66 C68	N58-C60 PolarHBondContact O-N 2.93Å; N58-C60 WeakPolarHBondContact OD1-CB 3.45Å; N58-C60 PolarHBondContact OD1-N 3.16Å; C60-N66 WeakPolarHBondContact CA-OD1 3.47Å; C60-N66 VanDerWaalsContact O-CA 3.28Å; C60-N66 WeakPolarHBondContact O-CA 3.49Å; C60-N66 WeakPolarHBondContact O-CB 3.29Å; C60-N66 PolarHBondContact O-OD1 2.92Å; C60-C68 WeakPolarHBondContact CA-SG 3.48Å; C60-C68 HydrophobicContact CB-CB 3.73Å; C60-C68 WeakPolarHBondContact CB-SG 3.34Å; C60-C68 PolarHBondContact N-SG 3.06Å; C60-C68 VanDerWaalsContact N-SG 3.35Å; C60-C68 WeakPolarHBondContact SG-CB 3.26Å; C60-C68 CovalentContact SG-SG 2.03Å; C60-C68 PolarHBondContact SG-SG 3.14Å
61	N	97.7	Very high	97.4	Very high	92 Å²	92	72 Å²	72	49%	0.492	38%	0.378	S	S	.	.	G	3₁₀ helix	trans	-149.9	36.8	176.3	-164.4	29.8	0	0	0	113	N58 W59 G63 N64 I65	N58-N61 CarbonylContact O-C 3.54Å; N58-N61 VanDerWaalsContact O-C 3.27Å; N58-N61 PolarHBondContact O-N 3.21Å; W59-N61 PolarHBondContact O-N 3.11Å; N61-G63 PolarHBondContact O-N 3.46Å; N61-N64 WeakPolarHBondContact OD1-CA 3.23Å; N61-I65 CarbonylContact C-O 3.5Å; N61-I65 WeakPolarHBondContact CA-O 3.41Å
62	A	97.3	Very high	97.6	Very high	13 Å²	13	63.6 Å²	63.6	11%	0.107	34%	0.341	C	S	.	.	B	Isolated β-bridge	trans	-76.5	112	-175.6	0	0	0	0	0	110.4	W57 N58 W59 N64 I65 Y67	W57-A62 HydrophobicContact CZ2-CB 4.43Å; N58-A62 WeakPolarHBondContact O-CA 3.23Å; N58-A62 PolarHBondContact O-N 2.81Å; W59-A62 HydrophobicContact CE3-CB 3.78Å; W59-A62 HydrophobicContact CZ3-CB 4.15Å; A62-N64 VanDerWaalsContact C-N 3.31Å; A62-N64 PolarHBondContact O-N 3.39Å; A62-I65 PolarHBondContact N-O 2.84Å; A62-I65 PolarHBondContact O-N 2.91Å; A62-I65 VanDerWaalsContact O-N 3.16Å; A62-Y67 HydrophobicContact CB-CD2 4.17Å; A62-Y67 HydrophobicContact CB-CE2 4.09Å
63	G	94.8	Very high	97.7	Very high	71 Å²	71	58.8 Å²	58.8	73%	0.732	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.8	36.7	-176.2	0	0	0	0	0	113	N61 I65	N61-G63 PolarHBondContact O-N 3.46Å; G63-I65 PolarHBondContact O-N 3.34Å
64	N	95.5	Very high	97.8	Very high	147 Å²	147	57.2 Å²	57.2	79%	0.786	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.1	21.3	-173.3	-57.5	-36	0	0	0	114.4	N61 A62	N61-N64 WeakPolarHBondContact OD1-CA 3.23Å; A62-N64 VanDerWaalsContact C-N 3.31Å; A62-N64 PolarHBondContact O-N 3.39Å
65	I	97.1	Very high	97.8	Very high	79 Å²	79	58.3 Å²	58.3	41%	0.405	32%	0.316	S	S	.	.	B	Isolated β-bridge	trans	-115.1	128	175	-58.9	172.1	0	0	0	108.7	N61 A62 G63 Y67	N61-I65 CarbonylContact C-O 3.5Å; N61-I65 WeakPolarHBondContact CA-O 3.41Å; A62-I65 PolarHBondContact N-O 2.84Å; A62-I65 PolarHBondContact O-N 2.91Å; A62-I65 VanDerWaalsContact O-N 3.16Å; G63-I65 PolarHBondContact O-N 3.34Å; I65-Y67 HydrophobicContact CB-CD2 4.38Å; I65-Y67 HydrophobicContact CB-CE2 3.7Å; I65-Y67 HydrophobicContact CG2-CD1 4.39Å; I65-Y67 HydrophobicContact CG2-CD2 4.09Å; I65-Y67 HydrophobicContact CG2-CE1 3.96Å; I65-Y67 HydrophobicContact CG2-CE2 3.6Å; I65-Y67 HydrophobicContact CG2-CG 4.47Å
66	N	97.5	Very high	97.9	Very high	101 Å²	101	55.1 Å²	55.1	54%	0.54	31%	0.306	S	S	.	.			trans	-84.2	113.8	171.2	178.5	21.3	0	0	0	110.5	C60 C68	C60-N66 WeakPolarHBondContact CA-OD1 3.47Å; C60-N66 VanDerWaalsContact O-CA 3.28Å; C60-N66 WeakPolarHBondContact O-CA 3.49Å; C60-N66 WeakPolarHBondContact O-CB 3.29Å; C60-N66 PolarHBondContact O-OD1 2.92Å; N66-C68 WeakPolarHBondContact OD1-CA 3.32Å; N66-C68 VanDerWaalsContact OD1-CB 3.23Å; N66-C68 WeakPolarHBondContact OD1-CB 3.44Å; N66-C68 PolarHBondContact OD1-N 2.95Å
67	Y	98.5	Very high	97.8	Very high	29 Å²	29	54.9 Å²	54.9	11%	0.114	31%	0.313	C	S	.	.			trans	-97.9	-6.9	173	-64.5	-82.3	0	0	0	113.7	W59 A62 I65 N97 I98	W59-Y67 AromaticContact CE3-CD2 3.92Å; W59-Y67 HydrophobicContact CE3-CD2 3.92Å; W59-Y67 HydrophobicContact CE3-CE2 4.41Å; W59-Y67 HydrophobicContact CE3-CG 4.44Å; W59-Y67 HydrophobicContact CZ3-CD2 4.32Å; W59-Y67 HydrophobicContact CZ3-CE2 4.41Å; W59-Y67 WeakPolarHBondContact O-CB 3.3Å; W59-Y67 PolarHBondContact O-N 3.23Å; W59-Y67 VanDerWaalsContact O-N 3.11Å; A62-Y67 HydrophobicContact CB-CD2 4.17Å; A62-Y67 HydrophobicContact CB-CE2 4.09Å; I65-Y67 HydrophobicContact CB-CD2 4.38Å; I65-Y67 HydrophobicContact CB-CE2 3.7Å; I65-Y67 HydrophobicContact CG2-CD1 4.39Å; I65-Y67 HydrophobicContact CG2-CD2 4.09Å; I65-Y67 HydrophobicContact CG2-CE1 3.96Å; I65-Y67 HydrophobicContact CG2-CE2 3.6Å; I65-Y67 HydrophobicContact CG2-CG 4.47Å; Y67-N97 HydrophobicContact CD1-CB 4.38Å; Y67-N97 WeakPolarHBondContact CD1-O 3.49Å; Y67-N97 WeakPolarHBondContact O-CB 3.47Å; Y67-N97 PolarHBondContact O-ND2 2.94Å; Y67-I98 HydrophobicContact CD1-CB 4.47Å; Y67-I98 HydrophobicContact CD1-CG1 4.06Å; Y67-I98 HydrophobicContact CD2-CG1 4.44Å; Y67-I98 HydrophobicContact CG-CG1 3.8Å
68	C	98.6	Very high	97.8	Very high	15 Å²	15	55.8 Å²	55.8	10%	0.101	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-73.6	131.2	-178.3	-71.9	0	0	0	0	111.4	C60 N66 D94 R253	C60-C68 WeakPolarHBondContact CA-SG 3.48Å; C60-C68 HydrophobicContact CB-CB 3.73Å; C60-C68 WeakPolarHBondContact CB-SG 3.34Å; C60-C68 PolarHBondContact N-SG 3.06Å; C60-C68 VanDerWaalsContact N-SG 3.35Å; C60-C68 WeakPolarHBondContact SG-CB 3.26Å; C60-C68 CovalentContact SG-SG 2.03Å; C60-C68 PolarHBondContact SG-SG 3.14Å; N66-C68 WeakPolarHBondContact OD1-CA 3.32Å; N66-C68 VanDerWaalsContact OD1-CB 3.23Å; N66-C68 WeakPolarHBondContact OD1-CB 3.44Å; N66-C68 PolarHBondContact OD1-N 2.95Å; C68-D94 WeakPolarHBondContact CA-OD1 3.48Å; C68-R253 PolarHBondContact SG-NH2 2.88Å
69	S	98.3	Very high	97.8	Very high	6 Å²	6	61.4 Å²	61.4	4%	0.042	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-67.1	161.2	169.1	58.4	0	0	0	0	111	D94 R253	S69-D94 WeakPolarHBondContact CB-OD1 3.41Å; S69-D94 PolarHBondContact N-OD1 3.4Å; S69-D94 PolarHBondContact OG-OD1 2.87Å; S69-R253 PolarHBondContact OG-NH1 2.83Å; S69-R253 VanDerWaalsContact OG-NH1 3.14Å
70	P	97.8	Very high	97.8	Very high	76 Å²	76	60.2 Å²	60.2	49%	0.494	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-55.1	144.1	-176.5	-27.7	35.2	0	0	0	114.2	Y108	P70-Y108 HydrophobicContact CB-CE2 4.2Å; P70-Y108 HydrophobicContact CG-CD2 4.21Å; P70-Y108 HydrophobicContact CG-CE2 4.31Å
71	T	98.3	Very high	97.8	Very high	47 Å²	47	59.5 Å²	59.5	29%	0.288	33%	0.331	S	S	.	.	P	Polyproline II helix	trans	-59.2	138.1	169.8	-58.3	0	0	0	0	110.6	H263	T71-H263 PolarHBondContact OG1-O 3.24Å
72	R	98.3	Very high	97.9	Very high	10 Å²	10	55.1 Å²	55.1	4%	0.038	31%	0.307	C	S	.	.			trans	-116.9	161	-175.5	-59.4	176.5	178.3	-157.2	-26.4	111.4	M86 T89 Y108 L109 S255 G257	R72-M86 HydrophobicContact CB-CE 4.49Å; R72-M86 HydrophobicContact CB-SD 3.66Å; R72-M86 VanDerWaalsContact CD-SD 3.57Å; R72-M86 HydrophobicContact CG-SD 4.21Å; R72-T89 PolarHBondContact NH1-OG1 3.37Å; R72-Y108 HydrophobicContact CG-CE2 4.13Å; R72-L109 PolarHBondContact NH1-O 3.36Å; R72-L109 VanDerWaalsContact NH1-O 3.11Å; R72-L109 PolarHBondContact NH2-O 3.11Å; R72-S255 CarbonylContact O-C 3.09Å; R72-S255 VanDerWaalsContact O-C 3.26Å; R72-S255 WeakPolarHBondContact O-CA 3.32Å; R72-G257 WeakPolarHBondContact O-CA 3.27Å; R72-G257 PolarHBondContact O-N 2.65Å
73	N	98.6	Very high	97.9	Very high	44 Å²	44	55.1 Å²	55.1	24%	0.235	31%	0.306	C	S	.	.	B	Isolated β-bridge	trans	-130.7	116.1	172.6	-171	-18	0	0	0	110.2	H75 I76 Y148 S255 W256	N73-H75 PolarHBondContact OD1-N 3.16Å; N73-I76 HydrophobicContact CB-CD1 4.27Å; N73-I76 HydrophobicContact CB-CG1 4.03Å; N73-Y148 WeakPolarHBondContact O-CE1 3.4Å; N73-S255 CarbonylContact C-O 3.55Å; N73-S255 VanDerWaalsContact CA-O 3.31Å; N73-S255 WeakPolarHBondContact CA-O 3.42Å; N73-W256 PolarHBondContact ND2-O 3.47Å
74	Q	98.5	Very high	98.1	Very high	3 Å²	3	51.8 Å²	51.8	1%	0.014	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-19.6	-178.8	79	-177.6	72.2	0	0	113.7	C80 M86 Y148 H232 S255	Q74-C80 PolarHBondContact NE2-O 3Å; Q74-C80 VanDerWaalsContact NE2-O 3.09Å; Q74-M86 HydrophobicContact CB-CE 4.13Å; Q74-M86 HydrophobicContact CB-CG 4.02Å; Q74-Y148 WeakPolarHBondContact CA-OH 3.46Å; Q74-Y148 PolarHBondContact O-OH 3.46Å; Q74-H232 PolarHBondContact OE1-CE1 3Å; Q74-S255 PolarHBondContact N-O 3.4Å; Q74-S255 PolarHBondContact OE1-OG 2.65Å
75	H	98.2	Very high	98.3	Very high	62 Å²	62	44.8 Å²	44.8	29%	0.287	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-0.5	-171	-61.8	155.5	0	0	0	114.3	N73 Q78 Y79 W256	N73-H75 PolarHBondContact OD1-N 3.16Å; H75-Q78 CarbonylContact C-O 3.54Å; H75-Q78 CarbonylContact O-C 3.26Å; H75-Y79 AromaticContact CD2-CD2 3.59Å; H75-Y79 AromaticContact CD2-CE2 3.59Å; H75-Y79 AromaticContact NE2-CE2 3.63Å; H75-Y79 PolarHBondContact O-N 3.35Å; H75-W256 AromaticContact CE1-CD1 3.2Å; H75-W256 AromaticContact CE1-CE2 3.96Å; H75-W256 AromaticContact CE1-CG 3.9Å; H75-W256 AromaticContact CE1-NE1 3.24Å; H75-W256 PolarHBondContact CE1-NE1 3.25Å; H75-W256 AromaticContact ND1-CD1 3.66Å; H75-W256 AromaticContact NE2-CD1 3.77Å; H75-W256 AromaticContact NE2-NE1 3.61Å
76	I	98.1	Very high	98.4	Very high	98 Å²	98	41.2 Å²	41.2	50%	0.503	22%	0.216	S	C	.	.	S	Bend	trans	-130.1	149.1	179.4	63.1	172.8	0	0	0	110.6	N73 Q78 Y148	N73-I76 HydrophobicContact CB-CD1 4.27Å; N73-I76 HydrophobicContact CB-CG1 4.03Å; I76-Q78 VanDerWaalsContact C-N 3.33Å; I76-Y148 VanDerWaalsContact O-CE1 3.26Å; I76-Y148 WeakPolarHBondContact O-CE1 3.35Å
77	P	97.6	Very high	98.4	Very high	96 Å²	96	36.6 Å²	36.6	62%	0.623	19%	0.192	S	C	*	.	S	Bend	cis	-71	-15	5.5	25.1	-31.9	0	0	0	115.8
78	Q	98.1	Very high	98.4	Very high	83 Å²	83	35.2 Å²	35.2	39%	0.388	19%	0.187	S	C	.	.	S	Bend	trans	-140.2	168.9	168.6	62.9	-79.8	-18.7	0	0	110.3	H75 I76 C80 Q149 A150	H75-Q78 CarbonylContact C-O 3.54Å; H75-Q78 CarbonylContact O-C 3.26Å; I76-Q78 VanDerWaalsContact C-N 3.33Å; Q78-C80 PolarHBondContact O-N 3.14Å; Q78-Q149 PolarHBondContact NE2-O 2.71Å; Q78-A150 WeakPolarHBondContact CG-O 3.28Å; Q78-A150 PolarHBondContact NE2-O 3.45Å; Q78-A150 WeakPolarHBondContact O-CB 3.46Å
79	Y	98.3	Very high	98.4	Very high	168 Å²	168	34.5 Å²	34.5	66%	0.659	18%	0.182	S	C	*	.			trans	-62.4	130.3	-179.6	-177.7	-91.6	0	0	0	111.8	H75	H75-Y79 AromaticContact CD2-CD2 3.59Å; H75-Y79 AromaticContact CD2-CE2 3.59Å; H75-Y79 AromaticContact NE2-CE2 3.63Å; H75-Y79 PolarHBondContact O-N 3.35Å
80	C	98.7	Very high	98.5	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.182	C	C	.	.			trans	-145.8	126.8	172.4	177.2	0	0	0	0	109.1	Q74 Q78 S82 C123 Y148 A150	Q74-C80 PolarHBondContact NE2-O 3Å; Q74-C80 VanDerWaalsContact NE2-O 3.09Å; Q78-C80 PolarHBondContact O-N 3.14Å; C80-S82 PolarHBondContact O-N 2.76Å; C80-S82 VanDerWaalsContact SG-CB 3.57Å; C80-C123 HydrophobicContact CB-CB 3.83Å; C80-C123 WeakPolarHBondContact CB-SG 3.08Å; C80-C123 WeakPolarHBondContact SG-CA 3.2Å; C80-C123 WeakPolarHBondContact SG-CB 3.35Å; C80-C123 CovalentContact SG-SG 2.04Å; C80-C123 PolarHBondContact SG-SG 3.48Å; C80-Y148 WeakPolarHBondContact CB-OH 3.44Å; C80-A150 HydrophobicContact CB-CB 3.91Å; C80-A150 WeakPolarHBondContact CB-O 3.34Å
81	G	98.5	Very high	98.5	Very high	9 Å²	9	30.9 Å²	30.9	9%	0.093	16%	0.158	C	C	.	.			trans	-76.1	47.3	175.7	0	0	0	0	0	113.2	C83 W84 C123	G81-C83 VanDerWaalsContact C-N 3.31Å; G81-C83 PolarHBondContact O-N 2.94Å; G81-W84 VanDerWaalsContact O-CD1 3.3Å; G81-W84 PolarHBondContact O-NE1 3.17Å; G81-C123 WeakPolarHBondContact CA-O 3.19Å; G81-C123 PolarHBondContact N-O 2.97Å
82	S	98.7	Very high	98.6	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.145	C	C	.	.			trans	-90.1	21.5	-175	59.8	0	0	0	0	114.3	C80 W84 A85 M86 Y148	C80-S82 PolarHBondContact O-N 2.76Å; C80-S82 VanDerWaalsContact SG-CB 3.57Å; S82-W84 PolarHBondContact O-N 2.9Å; S82-A85 PolarHBondContact O-N 3.18Å; S82-M86 WeakPolarHBondContact O-CG 3.17Å; S82-M86 PolarHBondContact O-N 3.42Å; S82-Y148 PolarHBondContact OG-OH 3.08Å
83	C	98.8	Very high	98.6	Very high	14 Å²	14	28.2 Å²	28.2	10%	0.095	14%	0.143	C	C	.	.	H	α-helix	trans	-55.4	-38.8	-178.4	57.3	0	0	0	0	113	G81 A85 M86 G87 H232 V233	G81-C83 VanDerWaalsContact C-N 3.31Å; G81-C83 PolarHBondContact O-N 2.94Å; C83-A85 VanDerWaalsContact C-N 3.29Å; C83-A85 PolarHBondContact O-N 2.79Å; C83-M86 PolarHBondContact O-N 3.05Å; C83-G87 PolarHBondContact O-N 2.97Å; C83-H232 WeakPolarHBondContact CB-CE1 3.41Å; C83-H232 WeakPolarHBondContact CB-ND1 3.11Å; C83-H232 PolarHBondContact SG-ND1 3.19Å; C83-V233 HydrophobicContact CB-CB 4.44Å
84	W	98.7	Very high	98.6	Very high	1 Å²	1	26.1 Å²	26.1	0%	0.004	13%	0.132	C	C	.	.	H	α-helix	trans	-56	-40.9	174.8	59.3	-89.5	0	0	0	112.5	G81 S82 S88 V114 I115 A120 G121 T122 G126 V131 V233	G81-W84 VanDerWaalsContact O-CD1 3.3Å; G81-W84 PolarHBondContact O-NE1 3.17Å; S82-W84 PolarHBondContact O-N 2.9Å; W84-S88 WeakPolarHBondContact O-CB 3.45Å; W84-S88 PolarHBondContact O-OG 3.11Å; W84-V114 HydrophobicContact CH2-CG1 4.15Å; W84-V114 HydrophobicContact CZ3-CG1 3.74Å; W84-I115 HydrophobicContact CH2-CG1 4.3Å; W84-I115 HydrophobicContact CZ2-CG1 4.11Å; W84-A120 HydrophobicContact CE3-CB 4.29Å; W84-A120 HydrophobicContact CH2-CB 4.44Å; W84-A120 HydrophobicContact CZ3-CB 3.7Å; W84-G121 VanDerWaalsContact CZ2-CA 3.47Å; W84-T122 PolarHBondContact NE1-O 2.86Å; W84-G126 WeakPolarHBondContact CB-O 3.45Å; W84-G126 VanDerWaalsContact CD1-CA 3.48Å; W84-G126 VanDerWaalsContact CG-C 3.5Å; W84-G126 VanDerWaalsContact CG-CA 3.49Å; W84-V131 HydrophobicContact CE3-CG2 3.47Å; W84-V131 VanDerWaalsContact CE3-CG2 3.47Å; W84-V131 HydrophobicContact CZ3-CG2 3.55Å; W84-V233 HydrophobicContact CB-CG2 4.4Å
85	A	98.8	Very high	98.6	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-78.6	-40.8	176.7	0	0	0	0	0	111.3	S82 C83 S88 T89 V111 V114 I115	S82-A85 PolarHBondContact O-N 3.18Å; C83-A85 VanDerWaalsContact C-N 3.29Å; C83-A85 PolarHBondContact O-N 2.79Å; A85-S88 PolarHBondContact O-OG 3.26Å; A85-S88 VanDerWaalsContact O-OG 3.12Å; A85-T89 VanDerWaalsContact O-CB 3.27Å; A85-T89 WeakPolarHBondContact O-CB 3.23Å; A85-T89 VanDerWaalsContact O-CG2 3.23Å; A85-T89 WeakPolarHBondContact O-CG2 3.5Å; A85-T89 PolarHBondContact O-N 2.89Å; A85-T89 PolarHBondContact O-OG1 3.01Å; A85-V111 HydrophobicContact CB-CG1 3.69Å; A85-V114 HydrophobicContact CB-CG1 4.01Å; A85-I115 HydrophobicContact CB-CG1 4.46Å
86	M	98.8	Very high	98.6	Very high	4 Å²	4	23.3 Å²	23.3	2%	0.02	12%	0.119	C	C	.	.	H	α-helix	trans	-65	-49	-179.6	-72.8	-76.3	-179.2	0	0	112.9	R72 Q74 S82 C83 T89 S90 V111 Y148	R72-M86 HydrophobicContact CB-CE 4.49Å; R72-M86 HydrophobicContact CB-SD 3.66Å; R72-M86 VanDerWaalsContact CD-SD 3.57Å; R72-M86 HydrophobicContact CG-SD 4.21Å; Q74-M86 HydrophobicContact CB-CE 4.13Å; Q74-M86 HydrophobicContact CB-CG 4.02Å; S82-M86 WeakPolarHBondContact O-CG 3.17Å; S82-M86 PolarHBondContact O-N 3.42Å; C83-M86 PolarHBondContact O-N 3.05Å; M86-T89 PolarHBondContact O-OG1 2.73Å; M86-S90 WeakPolarHBondContact O-CB 3.28Å; M86-S90 PolarHBondContact O-N 3.14Å; M86-S90 PolarHBondContact O-OG 2.67Å; M86-V111 HydrophobicContact CE-CB 4.18Å; M86-V111 HydrophobicContact CE-CG1 3.91Å; M86-V111 HydrophobicContact CE-CG2 4.13Å; M86-V111 HydrophobicContact CG-CG1 4.23Å; M86-V111 HydrophobicContact SD-CB 4.35Å; M86-V111 HydrophobicContact SD-CG1 4.15Å; M86-V111 HydrophobicContact SD-CG2 3.7Å; M86-Y148 HydrophobicContact CE-CD1 3.83Å; M86-Y148 HydrophobicContact CE-CD2 3.62Å; M86-Y148 HydrophobicContact CE-CE1 3.61Å; M86-Y148 HydrophobicContact CE-CE2 3.42Å; M86-Y148 VanDerWaalsContact CE-CE2 3.42Å; M86-Y148 HydrophobicContact CE-CG 3.83Å; M86-Y148 VanDerWaalsContact CE-CZ 3.41Å
87	G	98.8	Very high	98.6	Very high	4 Å²	4	19.2 Å²	19.2	4%	0.041	10%	0.098	C	C	.	.	H	α-helix	trans	-65.3	-46.2	-179	0	0	0	0	0	112.3	C83 A91	C83-G87 PolarHBondContact O-N 2.97Å; G87-A91 WeakPolarHBondContact O-CB 3.06Å; G87-A91 PolarHBondContact O-N 2.76Å
88	S	98.8	Very high	98.6	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-66	-48.1	178.8	57.1	0	0	0	0	113	W84 A85 S90 A91 L92 V131 Y132	W84-S88 WeakPolarHBondContact O-CB 3.45Å; W84-S88 PolarHBondContact O-OG 3.11Å; A85-S88 PolarHBondContact O-OG 3.26Å; A85-S88 VanDerWaalsContact O-OG 3.12Å; S88-S90 VanDerWaalsContact C-N 3.34Å; S88-S90 PolarHBondContact O-N 2.99Å; S88-A91 PolarHBondContact O-N 3.11Å; S88-L92 WeakPolarHBondContact O-CB 3.49Å; S88-L92 PolarHBondContact O-N 3.21Å; S88-V131 WeakPolarHBondContact OG-CB 3.3Å; S88-V131 WeakPolarHBondContact OG-CG1 3.48Å; S88-V131 WeakPolarHBondContact OG-CG2 3.42Å; S88-Y132 PolarHBondContact O-OH 3.23Å
89	T	98.8	Very high	98.5	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-67.5	-33.4	178.3	55.6	0	0	0	0	112.7	R72 A85 M86 A93 L109 V111 V114 V131 I140	R72-T89 PolarHBondContact NH1-OG1 3.37Å; A85-T89 VanDerWaalsContact O-CB 3.27Å; A85-T89 WeakPolarHBondContact O-CB 3.23Å; A85-T89 VanDerWaalsContact O-CG2 3.23Å; A85-T89 WeakPolarHBondContact O-CG2 3.5Å; A85-T89 PolarHBondContact O-N 2.89Å; A85-T89 PolarHBondContact O-OG1 3.01Å; M86-T89 PolarHBondContact O-OG1 2.73Å; T89-A93 WeakPolarHBondContact O-CB 3.34Å; T89-A93 PolarHBondContact O-N 3Å; T89-L109 HydrophobicContact CG2-CB 4.38Å; T89-V111 WeakPolarHBondContact OG1-CG2 3.37Å; T89-V114 HydrophobicContact CG2-CG2 3.97Å; T89-V131 HydrophobicContact CG2-CG1 4.16Å; T89-I140 HydrophobicContact CG2-CD1 4.18Å
90	S	98.9	Very high	98.4	Very high	5 Å²	5	10.4 Å²	10.4	4%	0.035	5%	0.053	C	C	.	.	H	α-helix	trans	-64.9	-49.6	173	-65.9	0	0	0	0	111.4	M86 S88 L92 A93 D94	M86-S90 WeakPolarHBondContact O-CB 3.28Å; M86-S90 PolarHBondContact O-N 3.14Å; M86-S90 PolarHBondContact O-OG 2.67Å; S88-S90 VanDerWaalsContact C-N 3.34Å; S88-S90 PolarHBondContact O-N 2.99Å; S90-L92 VanDerWaalsContact C-N 3.33Å; S90-L92 PolarHBondContact O-N 3.34Å; S90-A93 PolarHBondContact O-N 2.92Å; S90-D94 PolarHBondContact O-N 2.79Å
91	A	98.9	Very high	98.2	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-59.2	-44.8	177.4	0	0	0	0	0	111.4	G87 S88 D94 R95 P202 A204	G87-A91 WeakPolarHBondContact O-CB 3.06Å; G87-A91 PolarHBondContact O-N 2.76Å; S88-A91 PolarHBondContact O-N 3.11Å; A91-D94 PolarHBondContact O-N 3.2Å; A91-R95 WeakPolarHBondContact O-CG 3.31Å; A91-R95 PolarHBondContact O-N 3.2Å; A91-P202 HydrophobicContact CB-CB 4.39Å; A91-A204 HydrophobicContact CB-CB 4.44Å
92	L	98.8	Very high	98.1	Very high	1 Å²	1	20.2 Å²	20.2	1%	0.005	11%	0.105	C	C	.	.	H	α-helix	trans	-66	-43.2	178.2	-179	59	0	0	0	112.7	S88 S90 D94 R95 I96 L109 Y132 A135 I140 V181 A292 P294	S88-L92 WeakPolarHBondContact O-CB 3.49Å; S88-L92 PolarHBondContact O-N 3.21Å; S90-L92 VanDerWaalsContact C-N 3.33Å; S90-L92 PolarHBondContact O-N 3.34Å; L92-D94 VanDerWaalsContact C-N 3.31Å; L92-D94 PolarHBondContact O-N 2.99Å; L92-R95 PolarHBondContact O-N 2.65Å; L92-I96 HydrophobicContact CD1-CD1 4.41Å; L92-I96 HydrophobicContact CG-CD1 4.1Å; L92-I96 WeakPolarHBondContact O-CD1 3.43Å; L92-I96 VanDerWaalsContact O-CG1 3.29Å; L92-I96 WeakPolarHBondContact O-CG1 3.42Å; L92-I96 PolarHBondContact O-N 2.81Å; L92-L109 HydrophobicContact CB-CD1 3.94Å; L92-L109 HydrophobicContact CD2-CD1 3.62Å; L92-L109 HydrophobicContact CG-CD1 3.68Å; L92-Y132 HydrophobicContact CB-CE1 4.15Å; L92-A135 HydrophobicContact CD2-CB 4.18Å; L92-I140 HydrophobicContact CD2-CD1 4.22Å; L92-V181 HydrophobicContact CD1-CG2 3.63Å; L92-V181 HydrophobicContact CD2-CG2 3.67Å; L92-V181 HydrophobicContact CG-CG2 4.33Å; L92-A292 HydrophobicContact CD1-CB 4.13Å; L92-P294 HydrophobicContact CD1-CB 4.04Å
93	A	98.7	Very high	97.9	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-58.8	-44.1	175.9	0	0	0	0	0	111.5	T89 S90 I96 N97 A107 L109	T89-A93 WeakPolarHBondContact O-CB 3.34Å; T89-A93 PolarHBondContact O-N 3Å; S90-A93 PolarHBondContact O-N 2.92Å; A93-I96 WeakPolarHBondContact O-CB 3.34Å; A93-I96 PolarHBondContact O-N 3.33Å; A93-N97 PolarHBondContact O-N 3.34Å; A93-N97 PolarHBondContact O-ND2 3.46Å; A93-A107 HydrophobicContact CB-CB 4.29Å; A93-L109 HydrophobicContact CB-CD1 4.4Å; A93-L109 HydrophobicContact CB-CG 4.11Å
94	D	98.8	Very high	97.6	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-63	-43.9	177.4	-62.4	0.7	0	0	0	111	C68 S69 S90 A91 L92 I96 N97 I98 P202 R253	C68-D94 WeakPolarHBondContact CA-OD1 3.48Å; S69-D94 WeakPolarHBondContact CB-OD1 3.41Å; S69-D94 PolarHBondContact N-OD1 3.4Å; S69-D94 PolarHBondContact OG-OD1 2.87Å; S90-D94 PolarHBondContact O-N 2.79Å; A91-D94 PolarHBondContact O-N 3.2Å; L92-D94 VanDerWaalsContact C-N 3.31Å; L92-D94 PolarHBondContact O-N 2.99Å; D94-I96 VanDerWaalsContact C-N 3.31Å; D94-I96 PolarHBondContact O-N 2.98Å; D94-N97 WeakPolarHBondContact O-CB 3.39Å; D94-N97 PolarHBondContact O-N 3.26Å; D94-N97 VanDerWaalsContact O-N 3.14Å; D94-I98 VanDerWaalsContact O-CG1 3.26Å; D94-I98 WeakPolarHBondContact O-CG1 3.41Å; D94-I98 PolarHBondContact O-N 3.17Å; D94-P202 HydrophobicContact CB-CB 4.38Å; D94-P202 HydrophobicContact CB-CG 3.72Å; D94-R253 IonicContact OD1-CZ 3.81Å; D94-R253 IonicContact OD1-NH1 3.05Å; D94-R253 PolarHBondContact OD1-NH1 3.24Å; D94-R253 IonicContact OD1-NH2 3.63Å; D94-R253 IonicContact OD2-CZ 3.28Å; D94-R253 VanDerWaalsContact OD2-CZ 3.28Å; D94-R253 IonicContact OD2-NH1 3.36Å; D94-R253 PolarHBondContact OD2-NH1 2.84Å; D94-R253 IonicContact OD2-NH2 2.69Å; D94-R253 PolarHBondContact OD2-NH2 2.89Å
95	R	98.7	Very high	97.3	Very high	3 Å²	3	42 Å²	42	1%	0.011	19%	0.193	C	C	.	.	H	α-helix	trans	-59.5	-39.7	174.3	-73.2	-176.2	172.1	-122.9	-11.9	112.8	A91 L92 N97 I98 Q99 E196 G201 P202 I203 A292 D293 P294	A91-R95 WeakPolarHBondContact O-CG 3.31Å; A91-R95 PolarHBondContact O-N 3.2Å; L92-R95 PolarHBondContact O-N 2.65Å; R95-N97 VanDerWaalsContact C-N 3.35Å; R95-I98 PolarHBondContact O-N 3.44Å; R95-Q99 WeakPolarHBondContact O-CB 3.36Å; R95-Q99 PolarHBondContact O-N 2.9Å; R95-E196 IonicContact CZ-OE1 3.72Å; R95-E196 IonicContact NH1-OE1 3.25Å; R95-E196 PolarHBondContact NH1-OE1 2.95Å; R95-E196 IonicContact NH2-OE1 2.65Å; R95-E196 PolarHBondContact NH2-OE1 3.39Å; R95-G201 PolarHBondContact NE-O 3.32Å; R95-G201 PolarHBondContact NH2-O 2.97Å; R95-P202 PolarHBondContact NE-O 3.12Å; R95-P202 PolarHBondContact NH2-O 3.21Å; R95-I203 VanDerWaalsContact NH2-CG2 3.34Å; R95-A292 WeakPolarHBondContact CD-O 3.21Å; R95-A292 PolarHBondContact NH1-O 3.45Å; R95-A292 VanDerWaalsContact NH1-O 3.17Å; R95-D293 IonicContact NH1-OD1 3.68Å; R95-D293 PolarHBondContact NH1-OD1 3Å; R95-P294 HydrophobicContact CB-CG 4Å
96	I	98.1	Very high	97.1	Very high	4 Å²	4	44.1 Å²	44.1	2%	0.021	22%	0.215	C	C	.	.	H	α-helix	trans	-62.9	-43.9	174.9	-67.3	159.5	0	0	0	110.2	L92 A93 D94 I98 Q99 R100 A107 L109 Y179 P294	L92-I96 HydrophobicContact CD1-CD1 4.41Å; L92-I96 HydrophobicContact CG-CD1 4.1Å; L92-I96 WeakPolarHBondContact O-CD1 3.43Å; L92-I96 VanDerWaalsContact O-CG1 3.29Å; L92-I96 WeakPolarHBondContact O-CG1 3.42Å; L92-I96 PolarHBondContact O-N 2.81Å; A93-I96 WeakPolarHBondContact O-CB 3.34Å; A93-I96 PolarHBondContact O-N 3.33Å; D94-I96 VanDerWaalsContact C-N 3.31Å; D94-I96 PolarHBondContact O-N 2.98Å; I96-I98 VanDerWaalsContact C-N 3.33Å; I96-I98 PolarHBondContact O-N 3.26Å; I96-Q99 PolarHBondContact O-N 3.43Å; I96-R100 HydrophobicContact CG2-CG 4.41Å; I96-R100 VanDerWaalsContact O-CB 3.3Å; I96-R100 WeakPolarHBondContact O-CB 2.95Å; I96-R100 VanDerWaalsContact O-CG 3.25Å; I96-R100 WeakPolarHBondContact O-CG 3.32Å; I96-R100 PolarHBondContact O-N 3.42Å; I96-A107 HydrophobicContact CB-CB 3.83Å; I96-A107 HydrophobicContact CD1-CB 4.26Å; I96-A107 HydrophobicContact CG2-CB 3.62Å; I96-L109 HydrophobicContact CD1-CD1 4.17Å; I96-L109 HydrophobicContact CD1-CD2 4.22Å; I96-Y179 HydrophobicContact CD1-CD1 3.77Å; I96-Y179 HydrophobicContact CD1-CG 4.03Å; I96-Y179 HydrophobicContact CG2-CD1 4.28Å; I96-Y179 HydrophobicContact CG2-CE1 4.27Å; I96-P294 HydrophobicContact CD1-CB 4.42Å; I96-P294 HydrophobicContact CG1-CB 3.46Å; I96-P294 VanDerWaalsContact CG1-CB 3.46Å; I96-P294 HydrophobicContact CG1-CG 4Å
97	N	98	Very high	96.9	Very high	11 Å²	11	44 Å²	44	6%	0.059	21%	0.214	C	C	.	.	H	α-helix	trans	-61.5	-42.1	176.9	-68	-28.6	0	0	0	111.7	Y67 A93 D94 R95 R100 K101 G102 G106 A107	Y67-N97 HydrophobicContact CD1-CB 4.38Å; Y67-N97 WeakPolarHBondContact CD1-O 3.49Å; Y67-N97 WeakPolarHBondContact O-CB 3.47Å; Y67-N97 PolarHBondContact O-ND2 2.94Å; A93-N97 PolarHBondContact O-N 3.34Å; A93-N97 PolarHBondContact O-ND2 3.46Å; D94-N97 WeakPolarHBondContact O-CB 3.39Å; D94-N97 PolarHBondContact O-N 3.26Å; D94-N97 VanDerWaalsContact O-N 3.14Å; R95-N97 VanDerWaalsContact C-N 3.35Å; N97-R100 CarbonylContact O-C 3.48Å; N97-R100 PolarHBondContact O-N 3.01Å; N97-K101 PolarHBondContact O-N 3.5Å; N97-G102 PolarHBondContact O-N 2.83Å; N97-G106 WeakPolarHBondContact OD1-CA 3.29Å; N97-A107 PolarHBondContact OD1-N 3.17Å
98	I	98.1	Very high	96.9	Very high	26 Å²	26	47.1 Å²	47.1	13%	0.133	23%	0.225	C	C	.	.	H	α-helix	trans	-61	-52.3	175.8	-66.5	162.4	0	0	0	110.6	W59 Y67 D94 R95 I96 R100 K101 P202	W59-I98 HydrophobicContact CB-CD1 4.13Å; W59-I98 HydrophobicContact CD2-CD1 3.3Å; W59-I98 HydrophobicContact CD2-CG1 3.91Å; W59-I98 HydrophobicContact CE3-CD1 3.49Å; W59-I98 VanDerWaalsContact CE3-CD1 3.49Å; W59-I98 HydrophobicContact CE3-CG1 3.52Å; W59-I98 HydrophobicContact CE3-CG2 4.2Å; W59-I98 HydrophobicContact CG-CD1 3.62Å; W59-I98 HydrophobicContact CH2-CD1 4.3Å; W59-I98 HydrophobicContact CH2-CG1 4.37Å; W59-I98 HydrophobicContact CH2-CG2 3.52Å; W59-I98 HydrophobicContact CZ2-CD1 4.15Å; W59-I98 HydrophobicContact CZ2-CG2 4.14Å; W59-I98 HydrophobicContact CZ3-CB 4.3Å; W59-I98 HydrophobicContact CZ3-CD1 4Å; W59-I98 HydrophobicContact CZ3-CG1 3.78Å; W59-I98 HydrophobicContact CZ3-CG2 3.56Å; Y67-I98 HydrophobicContact CD1-CB 4.47Å; Y67-I98 HydrophobicContact CD1-CG1 4.06Å; Y67-I98 HydrophobicContact CD2-CG1 4.44Å; Y67-I98 HydrophobicContact CG-CG1 3.8Å; D94-I98 VanDerWaalsContact O-CG1 3.26Å; D94-I98 WeakPolarHBondContact O-CG1 3.41Å; D94-I98 PolarHBondContact O-N 3.17Å; R95-I98 PolarHBondContact O-N 3.44Å; I96-I98 VanDerWaalsContact C-N 3.33Å; I96-I98 PolarHBondContact O-N 3.26Å; I98-R100 PolarHBondContact O-N 3.34Å; I98-K101 PolarHBondContact O-N 2.89Å; I98-P202 VanDerWaalsContact CD1-CD 3.5Å
99	Q	96.5	Very high	96.9	Very high	91 Å²	91	47.1 Å²	47.1	43%	0.425	23%	0.225	S	C	.	.	H	α-helix	trans	-57.6	-36.5	178.9	-175.5	-176.2	66	0	0	111.6	R95 I96 K101 P294	R95-Q99 WeakPolarHBondContact O-CB 3.36Å; R95-Q99 PolarHBondContact O-N 2.9Å; I96-Q99 PolarHBondContact O-N 3.43Å; Q99-K101 VanDerWaalsContact C-N 3.3Å; Q99-K101 PolarHBondContact O-N 2.05Å; Q99-P294 PolarHBondContact NE2-O 3.01Å
100	R	95.4	Very high	96.9	Very high	46 Å²	46	47.1 Å²	47.1	17%	0.174	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	3.4	178.6	-67.6	174	63.5	-155.1	-7.2	113.7	I96 N97 I98 G102 R103 W104 P105	I96-R100 HydrophobicContact CG2-CG 4.41Å; I96-R100 VanDerWaalsContact O-CB 3.3Å; I96-R100 WeakPolarHBondContact O-CB 2.95Å; I96-R100 VanDerWaalsContact O-CG 3.25Å; I96-R100 WeakPolarHBondContact O-CG 3.32Å; I96-R100 PolarHBondContact O-N 3.42Å; N97-R100 CarbonylContact O-C 3.48Å; N97-R100 PolarHBondContact O-N 3.01Å; I98-R100 PolarHBondContact O-N 3.34Å; R100-G102 PolarHBondContact O-N 2.88Å; R100-R103 HydrophobicContact CB-CB 4.48Å; R100-R103 PolarHBondContact NH2-O 2.98Å; R100-R103 VanDerWaalsContact O-CB 3.3Å; R100-R103 WeakPolarHBondContact O-CB 3.36Å; R100-R103 WeakPolarHBondContact O-CG 3.45Å; R100-R103 PolarHBondContact O-N 3.42Å; R100-R103 VanDerWaalsContact O-N 3.12Å; R100-W104 PolarHBondContact NH2-O 3.38Å; R100-P105 PolarHBondContact NH1-O 2.93Å; R100-P105 PolarHBondContact NH2-O 3.01Å
101	K	95.8	Very high	96.9	Very high	171 Å²	171	46.9 Å²	46.9	74%	0.743	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	53	39.2	-177.6	-55.3	-178.9	-179.9	-178.4	0	112.5	N97 I98 Q99 R103	N97-K101 PolarHBondContact O-N 3.5Å; I98-K101 PolarHBondContact O-N 2.89Å; Q99-K101 VanDerWaalsContact C-N 3.3Å; Q99-K101 PolarHBondContact O-N 2.05Å; K101-R103 PolarHBondContact O-N 3.46Å
102	G	95.1	Very high	96.9	Very high	43 Å²	43	46.9 Å²	46.9	44%	0.443	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.9	14.5	177.8	0	0	0	0	0	114.2	N97 R100 W104	N97-G102 PolarHBondContact O-N 2.83Å; R100-G102 PolarHBondContact O-N 2.88Å; G102-W104 PolarHBondContact O-N 2.85Å
103	R	94	Very high	96.9	Very high	187 Å²	187	47.4 Å²	47.4	71%	0.706	23%	0.226	S	C	*	.	P	Polyproline II helix	trans	-62.7	132.8	179.4	-76	177.2	67.7	-179.7	2.2	111.6	R100 K101	R100-R103 HydrophobicContact CB-CB 4.48Å; R100-R103 PolarHBondContact NH2-O 2.98Å; R100-R103 VanDerWaalsContact O-CB 3.3Å; R100-R103 WeakPolarHBondContact O-CB 3.36Å; R100-R103 WeakPolarHBondContact O-CG 3.45Å; R100-R103 PolarHBondContact O-N 3.42Å; R100-R103 VanDerWaalsContact O-N 3.12Å; K101-R103 PolarHBondContact O-N 3.46Å
104	W	92.6	Very high	96.9	Very high	228 Å²	228	47.4 Å²	47.4	86%	0.864	23%	0.226	S	C	*	.	S	Bend	trans	-61.9	145.7	173.6	-175.2	92	0	0	0	112.7	R100 G102	R100-W104 PolarHBondContact NH2-O 3.38Å; G102-W104 PolarHBondContact O-N 2.85Å
105	P	92.4	Very high	96.9	Very high	59 Å²	59	47.9 Å²	47.9	38%	0.383	23%	0.228	S	C	.	.	S	Bend	cis	-75.1	149.1	-10.3	31.9	-34.8	0	0	0	111.4	R100	R100-P105 PolarHBondContact NH1-O 2.93Å; R100-P105 PolarHBondContact NH2-O 3.01Å
106	G	94.4	Very high	96.9	Very high	43 Å²	43	48.5 Å²	48.5	44%	0.443	23%	0.231	S	C	.	.	P	Polyproline II helix	trans	-65.3	149.8	173.1	0	0	0	0	0	111.5	N97	N97-G106 WeakPolarHBondContact OD1-CA 3.29Å
107	A	96.6	Very high	96.9	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.008	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-75.7	132.2	175.1	0	0	0	0	0	110.8	A93 I96 N97	A93-A107 HydrophobicContact CB-CB 4.29Å; I96-A107 HydrophobicContact CB-CB 3.83Å; I96-A107 HydrophobicContact CD1-CB 4.26Å; I96-A107 HydrophobicContact CG2-CB 3.62Å; N97-A107 PolarHBondContact OD1-N 3.17Å
108	Y	97.7	Very high	96.9	Very high	70 Å²	70	49.1 Å²	49.1	28%	0.275	24%	0.239	S	C	.	.			trans	-143.2	99.6	173.2	-172.8	-134.7	0	0	0	107.4	P70 R72 D142 E143	P70-Y108 HydrophobicContact CB-CE2 4.2Å; P70-Y108 HydrophobicContact CG-CD2 4.21Å; P70-Y108 HydrophobicContact CG-CE2 4.31Å; R72-Y108 HydrophobicContact CG-CE2 4.13Å; Y108-D142 CarbonylContact O-C 3.09Å; Y108-D142 WeakPolarHBondContact O-CA 3.3Å; Y108-E143 HydrophobicContact CD1-CB 3.29Å; Y108-E143 HydrophobicContact CD1-CG 3.76Å; Y108-E143 HydrophobicContact CE1-CB 3.5Å; Y108-E143 VanDerWaalsContact CE1-CB 3.5Å; Y108-E143 HydrophobicContact CE1-CG 3.36Å; Y108-E143 HydrophobicContact CG-CB 4.01Å; Y108-E143 PolarHBondContact O-N 2.93Å
109	L	98.5	Very high	96.8	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	27%	0.274	C	S	.	.	B	Isolated β-bridge	trans	-86.4	137.3	-167.4	-63.1	-176.7	0	0	0	112.5	R72 T89 L92 A93 I96 V111 I140 Y179	R72-L109 PolarHBondContact NH1-O 3.36Å; R72-L109 VanDerWaalsContact NH1-O 3.11Å; R72-L109 PolarHBondContact NH2-O 3.11Å; T89-L109 HydrophobicContact CG2-CB 4.38Å; L92-L109 HydrophobicContact CB-CD1 3.94Å; L92-L109 HydrophobicContact CD2-CD1 3.62Å; L92-L109 HydrophobicContact CG-CD1 3.68Å; A93-L109 HydrophobicContact CB-CD1 4.4Å; A93-L109 HydrophobicContact CB-CG 4.11Å; I96-L109 HydrophobicContact CD1-CD1 4.17Å; I96-L109 HydrophobicContact CD1-CD2 4.22Å; L109-V111 PolarHBondContact O-N 2.87Å; L109-I140 HydrophobicContact CB-CG2 3.83Å; L109-I140 HydrophobicContact CD1-CG2 4.43Å; L109-I140 HydrophobicContact CD2-CG2 4.25Å; L109-I140 HydrophobicContact CG-CG2 4.39Å; L109-Y179 HydrophobicContact CD2-CD1 4.42Å; L109-Y179 HydrophobicContact CD2-CD2 3.2Å; L109-Y179 HydrophobicContact CD2-CE2 3.84Å; L109-Y179 HydrophobicContact CD2-CG 3.54Å
110	S	98.7	Very high	96.8	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.259	C	S	.	.			trans	-65.6	113	-178.9	176.3	0	0	0	0	112.5	Y113 V114 V141 D142 E143 N146	S110-Y113 WeakPolarHBondContact OG-CB 3.23Å; S110-Y113 PolarHBondContact OG-N 3.28Å; S110-V114 WeakPolarHBondContact O-CG2 3.42Å; S110-V114 PolarHBondContact O-N 2.76Å; S110-V141 PolarHBondContact N-O 2.84Å; S110-D142 WeakPolarHBondContact CB-O 3.26Å; S110-E143 VanDerWaalsContact CA-OE2 3.31Å; S110-E143 WeakPolarHBondContact CA-OE2 3.28Å; S110-N146 PolarHBondContact OG-O 2.03Å
111	V	98.8	Very high	96.9	Very high	1 Å²	1	50.9 Å²	50.9	1%	0.006	26%	0.262	C	S	.	.	H	α-helix	trans	-73	-38.8	172.7	-179.2	0	0	0	0	111.2	A85 M86 T89 L109 Y113 V114 I115 E143 Y148	A85-V111 HydrophobicContact CB-CG1 3.69Å; M86-V111 HydrophobicContact CE-CB 4.18Å; M86-V111 HydrophobicContact CE-CG1 3.91Å; M86-V111 HydrophobicContact CE-CG2 4.13Å; M86-V111 HydrophobicContact CG-CG1 4.23Å; M86-V111 HydrophobicContact SD-CB 4.35Å; M86-V111 HydrophobicContact SD-CG1 4.15Å; M86-V111 HydrophobicContact SD-CG2 3.7Å; T89-V111 WeakPolarHBondContact OG1-CG2 3.37Å; L109-V111 PolarHBondContact O-N 2.87Å; V111-Y113 VanDerWaalsContact C-N 3.33Å; V111-Y113 PolarHBondContact O-N 2.88Å; V111-V114 WeakPolarHBondContact O-CB 3.27Å; V111-V114 PolarHBondContact O-N 3.15Å; V111-V114 VanDerWaalsContact O-N 3.11Å; V111-I115 HydrophobicContact CG1-CD1 3.95Å; V111-I115 HydrophobicContact CG1-CG1 4.37Å; V111-I115 WeakPolarHBondContact O-CG1 3.01Å; V111-I115 PolarHBondContact O-N 3.02Å; V111-E143 PolarHBondContact N-OE2 2.91Å; V111-Y148 HydrophobicContact CB-CD2 4Å; V111-Y148 HydrophobicContact CB-CE2 4.46Å; V111-Y148 HydrophobicContact CG1-CD2 3.99Å; V111-Y148 HydrophobicContact CG1-CE2 3.95Å
112	Q	98.8	Very high	97.1	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-64.7	-39.8	-179.1	-166.5	59.4	55.7	0	0	111.7	V114 I115 D116 N146 N147 Q149 K151	Q112-V114 VanDerWaalsContact C-N 3.27Å; Q112-V114 PolarHBondContact O-N 3.05Å; Q112-I115 PolarHBondContact O-N 2.69Å; Q112-I115 VanDerWaalsContact O-N 3.17Å; Q112-D116 PolarHBondContact NE2-OD1 3.35Å; Q112-D116 WeakPolarHBondContact O-CB 3.45Å; Q112-D116 PolarHBondContact O-N 3Å; Q112-N146 HydrophobicContact CB-CB 4.46Å; Q112-N146 WeakPolarHBondContact CG-OD1 3.46Å; Q112-N147 WeakPolarHBondContact CB-O 3.3Å; Q112-Q149 HydrophobicContact CG-CB 4.27Å; Q112-Q149 HydrophobicContact CG-CG 4.25Å; Q112-K151 PolarHBondContact NE2-O 3.2Å
113	Y	98.7	Very high	97.2	Very high	12 Å²	12	44 Å²	44	5%	0.047	23%	0.226	C	C	.	.	H	α-helix	trans	-58.3	-40.6	172.6	175.3	-117.2	0	0	0	112.4	S110 V111 D116 C117 F134 G139 I140 V141 Q160	S110-Y113 WeakPolarHBondContact OG-CB 3.23Å; S110-Y113 PolarHBondContact OG-N 3.28Å; V111-Y113 VanDerWaalsContact C-N 3.33Å; V111-Y113 PolarHBondContact O-N 2.88Å; Y113-D116 PolarHBondContact O-N 2.8Å; Y113-C117 HydrophobicContact CD2-CB 3.98Å; Y113-C117 HydrophobicContact CE2-CB 3.68Å; Y113-C117 VanDerWaalsContact O-CB 3.3Å; Y113-C117 WeakPolarHBondContact O-CB 3.05Å; Y113-C117 PolarHBondContact O-N 2.69Å; Y113-F134 AromaticContact CD1-CE1 3.89Å; Y113-F134 HydrophobicContact CD1-CE1 3.89Å; Y113-F134 HydrophobicContact CD1-CZ 4.22Å; Y113-F134 AromaticContact CE1-CE1 3.43Å; Y113-F134 HydrophobicContact CE1-CE1 3.43Å; Y113-F134 VanDerWaalsContact CE1-CE1 3.43Å; Y113-F134 AromaticContact CE1-CZ 3.46Å; Y113-F134 HydrophobicContact CE1-CZ 3.46Å; Y113-F134 VanDerWaalsContact CE1-CZ 3.46Å; Y113-F134 HydrophobicContact CE2-CZ 4.34Å; Y113-F134 AromaticContact CZ-CZ 3.55Å; Y113-G139 WeakPolarHBondContact CE1-O 3.46Å; Y113-I140 HydrophobicContact CD1-CG2 4.27Å; Y113-V141 HydrophobicContact CD1-CB 4.44Å; Y113-V141 HydrophobicContact CD1-CG1 4.37Å; Y113-V141 HydrophobicContact CD1-CG2 3.69Å; Y113-V141 HydrophobicContact CD2-CG2 4.26Å; Y113-V141 HydrophobicContact CE1-CG1 4.17Å; Y113-V141 HydrophobicContact CE1-CG2 4.33Å; Y113-V141 HydrophobicContact CG-CG2 3.62Å; Y113-Q160 HydrophobicContact CD2-CB 4.47Å; Y113-Q160 HydrophobicContact CE2-CB 3.96Å; Y113-Q160 HydrophobicContact CE2-CG 3.91Å
114	V	98.8	Very high	97.4	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-67.1	-39.2	176.6	171.7	0	0	0	0	111.5	W84 A85 T89 S110 V111 Q112 G118 V131 F134 I140	W84-V114 HydrophobicContact CH2-CG1 4.15Å; W84-V114 HydrophobicContact CZ3-CG1 3.74Å; A85-V114 HydrophobicContact CB-CG1 4.01Å; T89-V114 HydrophobicContact CG2-CG2 3.97Å; S110-V114 WeakPolarHBondContact O-CG2 3.42Å; S110-V114 PolarHBondContact O-N 2.76Å; V111-V114 WeakPolarHBondContact O-CB 3.27Å; V111-V114 PolarHBondContact O-N 3.15Å; V111-V114 VanDerWaalsContact O-N 3.11Å; Q112-V114 VanDerWaalsContact C-N 3.27Å; Q112-V114 PolarHBondContact O-N 3.05Å; V114-G118 WeakPolarHBondContact O-CA 3.34Å; V114-G118 PolarHBondContact O-N 2.57Å; V114-V131 HydrophobicContact CG1-CB 4.34Å; V114-V131 HydrophobicContact CG1-CG1 3.85Å; V114-V131 HydrophobicContact CG1-CG2 3.74Å; V114-V131 HydrophobicContact CG2-CG1 4.32Å; V114-F134 HydrophobicContact CG2-CD1 4.37Å; V114-F134 HydrophobicContact CG2-CE1 4.35Å; V114-I140 HydrophobicContact CG2-CD1 3.7Å; V114-I140 HydrophobicContact CG2-CG1 3.9Å; V114-I140 HydrophobicContact CG2-CG2 3.99Å
115	I	98.7	Very high	97.6	Very high	10 Å²	10	33.8 Å²	33.8	5%	0.051	20%	0.204	C	C	.	.	H	α-helix	trans	-63.2	-48.5	174.3	-67.4	166.6	0	0	0	110.4	W84 A85 V111 Q112 Y148	W84-I115 HydrophobicContact CH2-CG1 4.3Å; W84-I115 HydrophobicContact CZ2-CG1 4.11Å; A85-I115 HydrophobicContact CB-CG1 4.46Å; V111-I115 HydrophobicContact CG1-CD1 3.95Å; V111-I115 HydrophobicContact CG1-CG1 4.37Å; V111-I115 WeakPolarHBondContact O-CG1 3.01Å; V111-I115 PolarHBondContact O-N 3.02Å; Q112-I115 PolarHBondContact O-N 2.69Å; Q112-I115 VanDerWaalsContact O-N 3.17Å; I115-Y148 HydrophobicContact CD1-CE2 3.88Å
116	D	98.6	Very high	97.9	Very high	15 Å²	15	32.9 Å²	32.9	8%	0.08	21%	0.206	C	C	.	.	H	α-helix	trans	-73.8	-40.8	-172.5	-64.2	-13.4	0	0	0	112.4	Q112 Y113 N146 G153 C155	Q112-D116 PolarHBondContact NE2-OD1 3.35Å; Q112-D116 WeakPolarHBondContact O-CB 3.45Å; Q112-D116 PolarHBondContact O-N 3Å; Y113-D116 PolarHBondContact O-N 2.8Å; D116-N146 PolarHBondContact OD2-ND2 2.6Å; D116-G153 WeakPolarHBondContact OD1-CA 3.17Å; D116-G153 PolarHBondContact OD1-N 3.47Å; D116-C155 WeakPolarHBondContact O-CB 3.31Å
117	C	98.4	Very high	98	Very high	19 Å²	19	34 Å²	34	13%	0.128	20%	0.202	C	C	.	.	H	α-helix	trans	-116.6	-13.9	-168.4	-68.4	0	0	0	0	114.8	Y113 N119 F134 C155	Y113-C117 HydrophobicContact CD2-CB 3.98Å; Y113-C117 HydrophobicContact CE2-CB 3.68Å; Y113-C117 VanDerWaalsContact O-CB 3.3Å; Y113-C117 WeakPolarHBondContact O-CB 3.05Å; Y113-C117 PolarHBondContact O-N 2.69Å; C117-N119 VanDerWaalsContact C-N 3.33Å; C117-N119 PolarHBondContact O-N 3.33Å; C117-F134 HydrophobicContact CB-CE2 4.41Å; C117-F134 HydrophobicContact CB-CZ 3.98Å; C117-F134 VanDerWaalsContact O-CE2 3.29Å; C117-F134 WeakPolarHBondContact O-CE2 3.22Å; C117-C155 VanDerWaalsContact CA-SG 3.55Å; C117-C155 HydrophobicContact CB-CB 3.91Å; C117-C155 WeakPolarHBondContact CB-SG 3.47Å; C117-C155 VanDerWaalsContact SG-CA 3.51Å; C117-C155 WeakPolarHBondContact SG-CB 3.34Å; C117-C155 CovalentContact SG-SG 2.05Å; C117-C155 PolarHBondContact SG-SG 3.02Å
118	G	97.7	Very high	98.1	Very high	10 Å²	10	34.1 Å²	34.1	10%	0.103	20%	0.202	C	C	.	.	S	Bend	trans	-73.2	-23.5	-171	0	0	0	0	0	114.7	V114 A120	V114-G118 WeakPolarHBondContact O-CA 3.34Å; V114-G118 PolarHBondContact O-N 2.57Å; G118-A120 PolarHBondContact O-N 3.44Å; G118-A120 VanDerWaalsContact O-N 3.12Å
119	N	96.7	Very high	98	Very high	165 Å²	165	31.1 Å²	31.1	88%	0.882	19%	0.19	S	C	*	.			trans	49.1	32.7	-171.5	-165.9	49.4	0	0	0	113	C117	C117-N119 VanDerWaalsContact C-N 3.33Å; C117-N119 PolarHBondContact O-N 3.33Å
120	A	96.8	Very high	98	Very high	12 Å²	12	31.5 Å²	31.5	10%	0.099	20%	0.195	C	C	.	.	S	Bend	trans	-111.4	-0	-178.9	0	0	0	0	0	112.4	W84 G118 G126 D127 G130 V131	W84-A120 HydrophobicContact CE3-CB 4.29Å; W84-A120 HydrophobicContact CH2-CB 4.44Å; W84-A120 HydrophobicContact CZ3-CB 3.7Å; G118-A120 PolarHBondContact O-N 3.44Å; G118-A120 VanDerWaalsContact O-N 3.12Å; A120-G126 CarbonylContact O-C 3.54Å; A120-G126 VanDerWaalsContact O-CA 3.23Å; A120-G126 WeakPolarHBondContact O-CA 3.14Å; A120-D127 PolarHBondContact O-N 2.69Å; A120-G130 VanDerWaalsContact CB-C 3.49Å; A120-V131 HydrophobicContact CB-CG2 4.23Å
121	G	97.9	Very high	98	Very high	23 Å²	23	31.5 Å²	31.5	24%	0.237	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	159.7	-171.4	-179.5	0	0	0	0	0	112.8	W84 G125	W84-G121 VanDerWaalsContact CZ2-CA 3.47Å; G121-G125 CarbonylContact C-O 3.2Å; G121-G125 VanDerWaalsContact CA-O 3.25Å; G121-G125 WeakPolarHBondContact CA-O 3.43Å
122	T	98.4	Very high	98	Very high	57 Å²	57	31.5 Å²	31.5	35%	0.35	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	-174.5	177.3	65.7	0	0	0	0	109.7	W84 H124 G125 D152	W84-T122 PolarHBondContact NE1-O 2.86Å; T122-H124 PolarHBondContact O-N 2.8Å; T122-H124 VanDerWaalsContact O-N 3.12Å; T122-H124 PolarHBondContact OG1-N 2.77Å; T122-G125 PolarHBondContact N-O 3.42Å; T122-G125 PolarHBondContact O-N 3.45Å; T122-D152 VanDerWaalsContact CA-OD1 3.27Å; T122-D152 WeakPolarHBondContact CA-OD1 3.3Å; T122-D152 WeakPolarHBondContact CB-OD1 3.4Å
123	C	98.4	Very high	97.9	Very high	11 Å²	11	33.2 Å²	33.2	7%	0.074	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-1.9	166.7	-77.1	0	0	0	0	114.3	C80 G81 K151 D152	C80-C123 HydrophobicContact CB-CB 3.83Å; C80-C123 WeakPolarHBondContact CB-SG 3.08Å; C80-C123 WeakPolarHBondContact SG-CA 3.2Å; C80-C123 WeakPolarHBondContact SG-CB 3.35Å; C80-C123 CovalentContact SG-SG 2.04Å; C80-C123 PolarHBondContact SG-SG 3.48Å; G81-C123 WeakPolarHBondContact CA-O 3.19Å; G81-C123 PolarHBondContact N-O 2.97Å; C123-K151 WeakPolarHBondContact SG-CA 3.28Å; C123-D152 PolarHBondContact N-OD1 2.81Å
124	H	97.8	Very high	97.9	Very high	169 Å²	169	33.3 Å²	33.3	78%	0.782	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.6	6.9	175	-59.6	-66.3	0	0	0	113.5	T122 D152	T122-H124 PolarHBondContact O-N 2.8Å; T122-H124 VanDerWaalsContact O-N 3.12Å; T122-H124 PolarHBondContact OG1-N 2.77Å; H124-D152 IonicContact CD2-OD2 3.36Å
125	G	97.8	Very high	97.9	Very high	33 Å²	33	33.3 Å²	33.3	34%	0.34	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	128.2	167.5	179.3	0	0	0	0	0	112.3	G121 T122	G121-G125 CarbonylContact C-O 3.2Å; G121-G125 VanDerWaalsContact CA-O 3.25Å; G121-G125 WeakPolarHBondContact CA-O 3.43Å; T122-G125 PolarHBondContact N-O 3.42Å; T122-G125 PolarHBondContact O-N 3.45Å
126	G	97.7	Very high	97.8	Very high	40 Å²	40	35.4 Å²	35.4	41%	0.412	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	178.9	-174.6	-174.9	0	0	0	0	0	112.3	W84 A120	W84-G126 WeakPolarHBondContact CB-O 3.45Å; W84-G126 VanDerWaalsContact CD1-CA 3.48Å; W84-G126 VanDerWaalsContact CG-C 3.5Å; W84-G126 VanDerWaalsContact CG-CA 3.49Å; A120-G126 CarbonylContact O-C 3.54Å; A120-G126 VanDerWaalsContact O-CA 3.23Å; A120-G126 WeakPolarHBondContact O-CA 3.14Å
127	D	96.7	Very high	97.6	Very high	67 Å²	67	40.1 Å²	40.1	36%	0.358	23%	0.232	S	C	.	.			trans	-122.4	129.7	-172.9	177.5	52.3	0	0	0	111.8	A120 L129 G130 V131	A120-D127 PolarHBondContact O-N 2.69Å; D127-L129 WeakPolarHBondContact OD2-CA 3.42Å; D127-L129 WeakPolarHBondContact OD2-CB 3.38Å; D127-L129 PolarHBondContact OD2-N 3.32Å; D127-G130 PolarHBondContact OD2-N 2.81Å; D127-V131 PolarHBondContact O-N 3.28Å
128	M	97.7	Very high	97.5	Very high	3 Å²	3	44.1 Å²	44.1	2%	0.015	25%	0.249	C	C	.	.	H	α-helix	trans	-70.9	-29.6	-179.2	60.2	-172	168.9	0	0	112.9	V131 A204 V233 M288 T290	M128-V131 PolarHBondContact O-N 3Å; M128-A204 HydrophobicContact CB-CB 4.48Å; M128-A204 HydrophobicContact SD-CB 4.06Å; M128-V233 HydrophobicContact CB-CG1 4.12Å; M128-V233 HydrophobicContact SD-CG1 3.71Å; M128-V233 HydrophobicContact SD-CG2 4.15Å; M128-M288 HydrophobicContact CE-CB 4.47Å; M128-M288 HydrophobicContact CE-CE 3.69Å; M128-M288 HydrophobicContact CE-CG 3.67Å; M128-M288 WeakPolarHBondContact CE-O 3.22Å; M128-M288 HydrophobicContact CE-SD 4.29Å; M128-T290 HydrophobicContact CE-CG2 4.03Å; M128-T290 HydrophobicContact CG-CG2 4.03Å; M128-T290 HydrophobicContact SD-CG2 4.37Å
129	L	97.2	Very high	97.5	Very high	6 Å²	6	43.6 Å²	43.6	3%	0.031	24%	0.244	C	C	.	.	H	α-helix	trans	-73.2	-37.3	177.9	-169.5	64.6	0	0	0	111.1	L35 I36 D127 V131 Y132 E133 Y184 T290	L35-L129 HydrophobicContact CB-CD2 3.71Å; L35-L129 WeakPolarHBondContact O-CD2 2.93Å; I36-L129 HydrophobicContact CG1-CD2 3.95Å; D127-L129 WeakPolarHBondContact OD2-CA 3.42Å; D127-L129 WeakPolarHBondContact OD2-CB 3.38Å; D127-L129 PolarHBondContact OD2-N 3.32Å; L129-V131 PolarHBondContact O-N 3.39Å; L129-Y132 PolarHBondContact O-N 2.92Å; L129-E133 PolarHBondContact O-N 2.65Å; L129-Y184 HydrophobicContact CD1-CD2 3.67Å; L129-Y184 HydrophobicContact CD1-CE2 4.17Å; L129-Y184 HydrophobicContact CG-CD2 4.39Å; L129-Y184 HydrophobicContact CG-CE2 4.42Å; L129-T290 HydrophobicContact CB-CG2 4.11Å; L129-T290 HydrophobicContact CD1-CG2 3.88Å
130	G	97.9	Very high	97.5	Very high	9 Å²	9	35.8 Å²	35.8	9%	0.093	20%	0.202	C	C	.	.	H	α-helix	trans	-57.2	-33.6	171.7	0	0	0	0	0	113.3	A120 D127 Y132 E133 F134	A120-G130 VanDerWaalsContact CB-C 3.49Å; D127-G130 PolarHBondContact OD2-N 2.81Å; G130-Y132 VanDerWaalsContact C-N 3.33Å; G130-Y132 PolarHBondContact O-N 3.46Å; G130-E133 PolarHBondContact O-N 2.84Å; G130-F134 WeakPolarHBondContact O-CB 3.45Å; G130-F134 PolarHBondContact O-N 3.14Å
131	V	98.6	Very high	97.6	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-63.6	-40.7	173.3	-179.3	0	0	0	0	111.5	W84 S88 T89 V114 A120 D127 M128 L129 F134 A135 I140	W84-V131 HydrophobicContact CE3-CG2 3.47Å; W84-V131 VanDerWaalsContact CE3-CG2 3.47Å; W84-V131 HydrophobicContact CZ3-CG2 3.55Å; S88-V131 WeakPolarHBondContact OG-CB 3.3Å; S88-V131 WeakPolarHBondContact OG-CG1 3.48Å; S88-V131 WeakPolarHBondContact OG-CG2 3.42Å; T89-V131 HydrophobicContact CG2-CG1 4.16Å; V114-V131 HydrophobicContact CG1-CB 4.34Å; V114-V131 HydrophobicContact CG1-CG1 3.85Å; V114-V131 HydrophobicContact CG1-CG2 3.74Å; V114-V131 HydrophobicContact CG2-CG1 4.32Å; A120-V131 HydrophobicContact CB-CG2 4.23Å; D127-V131 PolarHBondContact O-N 3.28Å; M128-V131 PolarHBondContact O-N 3Å; L129-V131 PolarHBondContact O-N 3.39Å; V131-F134 PolarHBondContact O-N 2.94Å; V131-A135 WeakPolarHBondContact O-CB 3.48Å; V131-A135 PolarHBondContact O-N 2.82Å; V131-I140 HydrophobicContact CG1-CD1 3.9Å
132	Y	98.5	Very high	97.5	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-74	-35.4	178.4	-60.6	-30.9	0	0	0	112.5	S88 L92 L129 G130 F134 A135 H136 T290 A292	S88-Y132 PolarHBondContact O-OH 3.23Å; L92-Y132 HydrophobicContact CB-CE1 4.15Å; L129-Y132 PolarHBondContact O-N 2.92Å; G130-Y132 VanDerWaalsContact C-N 3.33Å; G130-Y132 PolarHBondContact O-N 3.46Å; Y132-F134 VanDerWaalsContact C-N 3.32Å; Y132-F134 PolarHBondContact O-N 3.4Å; Y132-A135 PolarHBondContact O-N 2.97Å; Y132-H136 WeakPolarHBondContact O-CB 3.1Å; Y132-H136 PolarHBondContact O-N 2.87Å; Y132-T290 VanDerWaalsContact CE2-OG1 3.3Å; Y132-T290 WeakPolarHBondContact CE2-OG1 3.26Å; Y132-A292 HydrophobicContact CD1-CB 3.5Å; Y132-A292 VanDerWaalsContact CD1-CB 3.5Å; Y132-A292 HydrophobicContact CD2-CB 3.77Å; Y132-A292 HydrophobicContact CE1-CB 3.67Å; Y132-A292 HydrophobicContact CE2-CB 3.92Å; Y132-A292 HydrophobicContact CG-CB 3.56Å
133	E	97.9	Very high	97.5	Very high	36 Å²	36	33.8 Å²	33.8	17%	0.168	18%	0.182	C	C	.	.	H	α-helix	trans	-59.5	-44.1	169.4	-179.8	174.4	-154.5	0	0	111.3	L129 G130 H136 K137 Y184	L129-E133 PolarHBondContact O-N 2.65Å; G130-E133 PolarHBondContact O-N 2.84Å; E133-H136 WeakPolarHBondContact O-CB 3.46Å; E133-H136 PolarHBondContact O-N 3.04Å; E133-K137 HydrophobicContact CG-CD 4.13Å; E133-K137 WeakPolarHBondContact O-CG 3.27Å; E133-K137 PolarHBondContact O-N 2.9Å; E133-K137 VanDerWaalsContact OE1-CE 3.31Å; E133-K137 WeakPolarHBondContact OE1-CE 3.42Å; E133-K137 IonicContact OE1-NZ 3.29Å; E133-K137 PolarHBondContact OE1-NZ 3.04Å; E133-Y184 HydrophobicContact CB-CE2 3.79Å; E133-Y184 WeakPolarHBondContact CB-OH 3.37Å; E133-Y184 WeakPolarHBondContact CG-OH 3.29Å
134	F	97.8	Very high	97.4	Very high	14 Å²	14	38.3 Å²	38.3	6%	0.061	21%	0.209	C	C	.	.	H	α-helix	trans	-61.9	-45.9	174.6	175.6	-113.5	0	0	0	111.9	Y113 V114 C117 G130 V131 Y132 H136 K137 H138 G139 I140	Y113-F134 AromaticContact CD1-CE1 3.89Å; Y113-F134 HydrophobicContact CD1-CE1 3.89Å; Y113-F134 HydrophobicContact CD1-CZ 4.22Å; Y113-F134 AromaticContact CE1-CE1 3.43Å; Y113-F134 HydrophobicContact CE1-CE1 3.43Å; Y113-F134 VanDerWaalsContact CE1-CE1 3.43Å; Y113-F134 AromaticContact CE1-CZ 3.46Å; Y113-F134 HydrophobicContact CE1-CZ 3.46Å; Y113-F134 VanDerWaalsContact CE1-CZ 3.46Å; Y113-F134 HydrophobicContact CE2-CZ 4.34Å; Y113-F134 AromaticContact CZ-CZ 3.55Å; V114-F134 HydrophobicContact CG2-CD1 4.37Å; V114-F134 HydrophobicContact CG2-CE1 4.35Å; C117-F134 HydrophobicContact CB-CE2 4.41Å; C117-F134 HydrophobicContact CB-CZ 3.98Å; C117-F134 VanDerWaalsContact O-CE2 3.29Å; C117-F134 WeakPolarHBondContact O-CE2 3.22Å; G130-F134 WeakPolarHBondContact O-CB 3.45Å; G130-F134 PolarHBondContact O-N 3.14Å; V131-F134 PolarHBondContact O-N 2.94Å; Y132-F134 VanDerWaalsContact C-N 3.32Å; Y132-F134 PolarHBondContact O-N 3.4Å; F134-H136 VanDerWaalsContact C-N 3.26Å; F134-H136 PolarHBondContact O-N 3.29Å; F134-K137 PolarHBondContact O-N 3.2Å; F134-H138 HydrophobicContact CD2-CB 3.99Å; F134-H138 AromaticContact CD2-CD2 3.55Å; F134-H138 HydrophobicContact CE2-CB 3.67Å; F134-H138 AromaticContact CE2-CD2 3.75Å; F134-H138 AromaticContact CE2-CG 3.81Å; F134-H138 HydrophobicContact CZ-CB 4.19Å; F134-H138 WeakPolarHBondContact O-CB 3.31Å; F134-H138 PolarHBondContact O-N 3.09Å; F134-G139 PolarHBondContact O-N 3.33Å; F134-I140 HydrophobicContact CD1-CG1 4.07Å; F134-I140 HydrophobicContact CE1-CG1 4.19Å
135	A	97.9	Very high	97.4	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-62.8	-31.7	175.8	0	0	0	0	0	112.8	L92 V131 Y132 G139 I140 K180 V181	L92-A135 HydrophobicContact CD2-CB 4.18Å; V131-A135 WeakPolarHBondContact O-CB 3.48Å; V131-A135 PolarHBondContact O-N 2.82Å; Y132-A135 PolarHBondContact O-N 2.97Å; A135-G139 VanDerWaalsContact O-CA 3.23Å; A135-G139 WeakPolarHBondContact O-CA 3.21Å; A135-G139 PolarHBondContact O-N 2.75Å; A135-G139 VanDerWaalsContact O-N 3.12Å; A135-I140 HydrophobicContact CB-CD1 3.75Å; A135-I140 HydrophobicContact CB-CG1 3.91Å; A135-K180 WeakPolarHBondContact O-CA 3.32Å; A135-V181 HydrophobicContact CB-CB 4.07Å; A135-V181 HydrophobicContact CB-CG2 3.61Å; A135-V181 PolarHBondContact O-N 2.87Å
136	H	96.9	Very high	97.4	Very high	54 Å²	54	29.8 Å²	29.8	25%	0.25	16%	0.163	C	C	.	.	H	α-helix	trans	-69	-50.3	175.1	179	92.3	0	0	0	111.4	Y37 Y132 E133 F134 V181 G182 Y184	Y37-H136 AromaticContact CD1-CE1 3.53Å; Y37-H136 AromaticContact CE1-CE1 3.77Å; Y37-H136 AromaticContact CG-CE1 3.82Å; Y132-H136 WeakPolarHBondContact O-CB 3.1Å; Y132-H136 PolarHBondContact O-N 2.87Å; E133-H136 WeakPolarHBondContact O-CB 3.46Å; E133-H136 PolarHBondContact O-N 3.04Å; F134-H136 VanDerWaalsContact C-N 3.26Å; F134-H136 PolarHBondContact O-N 3.29Å; H136-V181 WeakPolarHBondContact CA-O 3.32Å; H136-V181 HydrophobicContact CB-CB 4.46Å; H136-V181 PolarHBondContact ND1-O 2.7Å; H136-G182 PolarHBondContact ND1-O 2.98Å; H136-Y184 HydrophobicContact CB-CD1 4.04Å; H136-Y184 HydrophobicContact CB-CE1 3.67Å; H136-Y184 AromaticContact CG-CE1 3.75Å; H136-Y184 AromaticContact ND1-CE1 3.97Å
137	K	96	Very high	97.4	Very high	114 Å²	114	32.7 Å²	32.7	50%	0.496	17%	0.169	S	C	.	.	H	α-helix	trans	-73.8	-46.7	-176.2	-68.6	176.8	-175.9	172	0	112.7	E133 F134	E133-K137 HydrophobicContact CG-CD 4.13Å; E133-K137 WeakPolarHBondContact O-CG 3.27Å; E133-K137 PolarHBondContact O-N 2.9Å; E133-K137 VanDerWaalsContact OE1-CE 3.31Å; E133-K137 WeakPolarHBondContact OE1-CE 3.42Å; E133-K137 IonicContact OE1-NZ 3.29Å; E133-K137 PolarHBondContact OE1-NZ 3.04Å; F134-K137 PolarHBondContact O-N 3.2Å
138	H	95.7	Very high	97.5	Very high	103 Å²	103	31.3 Å²	31.3	48%	0.477	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.9	-39.1	-170	-60.2	-77.4	0	0	0	112.2	F134 K180	F134-H138 HydrophobicContact CD2-CB 3.99Å; F134-H138 AromaticContact CD2-CD2 3.55Å; F134-H138 HydrophobicContact CE2-CB 3.67Å; F134-H138 AromaticContact CE2-CD2 3.75Å; F134-H138 AromaticContact CE2-CG 3.81Å; F134-H138 HydrophobicContact CZ-CB 4.19Å; F134-H138 WeakPolarHBondContact O-CB 3.31Å; F134-H138 PolarHBondContact O-N 3.09Å; H138-K180 WeakPolarHBondContact O-CE 3.36Å
139	G	96.8	Very high	97.6	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.171	C	C	.	.			trans	89.2	163.3	-168.5	0	0	0	0	0	111.5	Y113 F134 A135 Y179	Y113-G139 WeakPolarHBondContact CE1-O 3.46Å; F134-G139 PolarHBondContact O-N 3.33Å; A135-G139 VanDerWaalsContact O-CA 3.23Å; A135-G139 WeakPolarHBondContact O-CA 3.21Å; A135-G139 PolarHBondContact O-N 2.75Å; A135-G139 VanDerWaalsContact O-N 3.12Å; G139-Y179 CarbonylContact C-O 3.54Å; G139-Y179 VanDerWaalsContact CA-O 3.23Å; G139-Y179 WeakPolarHBondContact CA-O 3.31Å
140	I	98.1	Very high	97.6	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.17	C	C	.	.	B	Isolated β-bridge	trans	-113.7	139	179	-62	172.4	0	0	0	108.8	T89 L92 L109 Y113 V114 V131 F134 A135 Y179	T89-I140 HydrophobicContact CG2-CD1 4.18Å; L92-I140 HydrophobicContact CD2-CD1 4.22Å; L109-I140 HydrophobicContact CB-CG2 3.83Å; L109-I140 HydrophobicContact CD1-CG2 4.43Å; L109-I140 HydrophobicContact CD2-CG2 4.25Å; L109-I140 HydrophobicContact CG-CG2 4.39Å; Y113-I140 HydrophobicContact CD1-CG2 4.27Å; V114-I140 HydrophobicContact CG2-CD1 3.7Å; V114-I140 HydrophobicContact CG2-CG1 3.9Å; V114-I140 HydrophobicContact CG2-CG2 3.99Å; V131-I140 HydrophobicContact CG1-CD1 3.9Å; F134-I140 HydrophobicContact CD1-CG1 4.07Å; F134-I140 HydrophobicContact CE1-CG1 4.19Å; A135-I140 HydrophobicContact CB-CD1 3.75Å; A135-I140 HydrophobicContact CB-CG1 3.91Å; I140-Y179 PolarHBondContact N-O 2.76Å; I140-Y179 VanDerWaalsContact O-CD2 3.32Å; I140-Y179 WeakPolarHBondContact O-CD2 3.44Å; I140-Y179 PolarHBondContact O-N 3.22Å
141	V	97.2	Very high	97.7	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.186	C	C	.	.			trans	-82.1	166.1	176.3	-59.4	0	0	0	0	111.7	S110 Y113 C145 Y176 L178	S110-V141 PolarHBondContact N-O 2.84Å; Y113-V141 HydrophobicContact CD1-CB 4.44Å; Y113-V141 HydrophobicContact CD1-CG1 4.37Å; Y113-V141 HydrophobicContact CD1-CG2 3.69Å; Y113-V141 HydrophobicContact CD2-CG2 4.26Å; Y113-V141 HydrophobicContact CE1-CG1 4.17Å; Y113-V141 HydrophobicContact CE1-CG2 4.33Å; Y113-V141 HydrophobicContact CG-CG2 3.62Å; V141-C145 HydrophobicContact CB-CB 3.83Å; V141-C145 HydrophobicContact CG2-CB 3.52Å; V141-Y176 HydrophobicContact CB-CD2 4.49Å; V141-Y176 HydrophobicContact CG1-CD2 3.48Å; V141-Y176 VanDerWaalsContact CG1-CD2 3.48Å; V141-Y176 HydrophobicContact CG1-CE2 3.46Å; V141-Y176 VanDerWaalsContact CG1-CE2 3.46Å; V141-Y176 HydrophobicContact CG1-CG 4.43Å; V141-L178 HydrophobicContact CG1-CD2 3.85Å
142	D	97	Very high	97.7	Very high	37 Å²	37	41.5 Å²	41.5	20%	0.198	21%	0.205	C	C	.	.	B	Isolated β-bridge	trans	-64.7	149.1	169.6	-164.3	-87.8	0	0	0	111	Y108 S110 T144 C145 Y179	Y108-D142 CarbonylContact O-C 3.09Å; Y108-D142 WeakPolarHBondContact O-CA 3.3Å; S110-D142 WeakPolarHBondContact CB-O 3.26Å; D142-T144 PolarHBondContact O-N 2.94Å; D142-T144 PolarHBondContact OD1-N 2.78Å; D142-T144 VanDerWaalsContact OD1-N 3.16Å; D142-T144 PolarHBondContact OD1-OG1 2.94Å; D142-C145 WeakPolarHBondContact O-CB 3.27Å; D142-C145 PolarHBondContact O-N 2.99Å; D142-Y179 HydrophobicContact CB-CE2 4.33Å
143	E	98.3	Very high	97.6	Very high	13 Å²	13	43 Å²	43	6%	0.061	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-47.8	-39	177.5	-178.5	80.1	-176.7	0	0	111.6	Y108 S110 V111 C145 N146 N147 Y148	Y108-E143 HydrophobicContact CD1-CB 3.29Å; Y108-E143 HydrophobicContact CD1-CG 3.76Å; Y108-E143 HydrophobicContact CE1-CB 3.5Å; Y108-E143 VanDerWaalsContact CE1-CB 3.5Å; Y108-E143 HydrophobicContact CE1-CG 3.36Å; Y108-E143 HydrophobicContact CG-CB 4.01Å; Y108-E143 PolarHBondContact O-N 2.93Å; S110-E143 VanDerWaalsContact CA-OE2 3.31Å; S110-E143 WeakPolarHBondContact CA-OE2 3.28Å; V111-E143 PolarHBondContact N-OE2 2.91Å; E143-C145 PolarHBondContact O-N 3.42Å; E143-N146 CarbonylContact O-C 3.48Å; E143-N146 PolarHBondContact O-N 3.29Å; E143-N146 VanDerWaalsContact O-N 3.11Å; E143-N146 VanDerWaalsContact O-O 3.12Å; E143-N147 PolarHBondContact O-N 3.49Å; E143-N147 PolarHBondContact O-OD1 3.42Å; E143-Y148 WeakPolarHBondContact OE1-CB 3.27Å; E143-Y148 PolarHBondContact OE1-N 3.29Å
144	T	96.6	Very high	97.6	Very high	106 Å²	106	45.7 Å²	45.7	65%	0.65	24%	0.239	S	C	*	.	G	3₁₀ helix	trans	-67.4	-10.8	-176.2	66.8	0	0	0	0	114.6	D142 N147	D142-T144 PolarHBondContact O-N 2.94Å; D142-T144 PolarHBondContact OD1-N 2.78Å; D142-T144 VanDerWaalsContact OD1-N 3.16Å; D142-T144 PolarHBondContact OD1-OG1 2.94Å; T144-N147 WeakPolarHBondContact CA-OD1 3.28Å
145	C	97.7	Very high	97.6	Very high	14 Å²	14	48.1 Å²	48.1	10%	0.095	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-76.1	-36.6	173.2	-91.4	0	0	0	0	112.6	V141 D142 E143 C161 G162	V141-C145 HydrophobicContact CB-CB 3.83Å; V141-C145 HydrophobicContact CG2-CB 3.52Å; D142-C145 WeakPolarHBondContact O-CB 3.27Å; D142-C145 PolarHBondContact O-N 2.99Å; E143-C145 PolarHBondContact O-N 3.42Å; C145-C161 VanDerWaalsContact CA-SG 3.51Å; C145-C161 HydrophobicContact CB-CB 3.56Å; C145-C161 WeakPolarHBondContact CB-SG 3.35Å; C145-C161 WeakPolarHBondContact O-CA 3.36Å; C145-C161 WeakPolarHBondContact SG-CB 3.43Å; C145-C161 CovalentContact SG-SG 2.05Å; C145-C161 PolarHBondContact SG-SG 2.83Å; C145-G162 PolarHBondContact O-N 3.49Å
146	N	98.2	Very high	97.6	Very high	10 Å²	10	51.2 Å²	51.2	5%	0.053	27%	0.274	C	S	.	.	S	Bend	trans	-150.6	93.9	176.3	-175.4	-0.3	0	0	0	107.3	S110 Q112 D116 E143 Q149 N159	S110-N146 PolarHBondContact OG-O 2.03Å; Q112-N146 HydrophobicContact CB-CB 4.46Å; Q112-N146 WeakPolarHBondContact CG-OD1 3.46Å; D116-N146 PolarHBondContact OD2-ND2 2.6Å; E143-N146 CarbonylContact O-C 3.48Å; E143-N146 PolarHBondContact O-N 3.29Å; E143-N146 VanDerWaalsContact O-N 3.11Å; E143-N146 VanDerWaalsContact O-O 3.12Å; N146-Q149 PolarHBondContact OD1-NE2 2.91Å; N146-N159 WeakPolarHBondContact CB-O 3.39Å; N146-N159 PolarHBondContact ND2-O 2.63Å
147	N	97.9	Very high	97.6	Very high	100 Å²	100	54.6 Å²	54.6	54%	0.535	29%	0.29	S	S	.	.			trans	-61.5	150.8	-178.1	-68	-13.2	0	0	0	110.4	Q112 E143 T144 Q149	Q112-N147 WeakPolarHBondContact CB-O 3.3Å; E143-N147 PolarHBondContact O-N 3.49Å; E143-N147 PolarHBondContact O-OD1 3.42Å; T144-N147 WeakPolarHBondContact CA-OD1 3.28Å; N147-Q149 WeakPolarHBondContact O-CG 3.47Å; N147-Q149 PolarHBondContact O-N 2.87Å
148	Y	98.6	Very high	97.6	Very high	38 Å²	38	52.6 Å²	52.6	15%	0.149	28%	0.281	C	S	.	.			trans	-56.3	121.8	176	-169.8	-118	0	0	0	112.6	N73 Q74 I76 C80 S82 M86 V111 I115 E143 A150	N73-Y148 WeakPolarHBondContact O-CE1 3.4Å; Q74-Y148 WeakPolarHBondContact CA-OH 3.46Å; Q74-Y148 PolarHBondContact O-OH 3.46Å; I76-Y148 VanDerWaalsContact O-CE1 3.26Å; I76-Y148 WeakPolarHBondContact O-CE1 3.35Å; C80-Y148 WeakPolarHBondContact CB-OH 3.44Å; S82-Y148 PolarHBondContact OG-OH 3.08Å; M86-Y148 HydrophobicContact CE-CD1 3.83Å; M86-Y148 HydrophobicContact CE-CD2 3.62Å; M86-Y148 HydrophobicContact CE-CE1 3.61Å; M86-Y148 HydrophobicContact CE-CE2 3.42Å; M86-Y148 VanDerWaalsContact CE-CE2 3.42Å; M86-Y148 HydrophobicContact CE-CG 3.83Å; M86-Y148 VanDerWaalsContact CE-CZ 3.41Å; V111-Y148 HydrophobicContact CB-CD2 4Å; V111-Y148 HydrophobicContact CB-CE2 4.46Å; V111-Y148 HydrophobicContact CG1-CD2 3.99Å; V111-Y148 HydrophobicContact CG1-CE2 3.95Å; I115-Y148 HydrophobicContact CD1-CE2 3.88Å; E143-Y148 WeakPolarHBondContact OE1-CB 3.27Å; E143-Y148 PolarHBondContact OE1-N 3.29Å; Y148-A150 HydrophobicContact CD1-CB 4.27Å; Y148-A150 HydrophobicContact CE1-CB 3.49Å; Y148-A150 VanDerWaalsContact CE1-CB 3.49Å; Y148-A150 HydrophobicContact CE2-CB 4.41Å
149	Q	98.3	Very high	97.7	Very high	60 Å²	60	48.6 Å²	48.6	28%	0.28	26%	0.263	S	S	.	.			trans	-112.2	-10	179.3	-62.5	172.3	61	0	0	112.6	Q78 Q112 N146 N147 K151	Q78-Q149 PolarHBondContact NE2-O 2.71Å; Q112-Q149 HydrophobicContact CG-CB 4.27Å; Q112-Q149 HydrophobicContact CG-CG 4.25Å; N146-Q149 PolarHBondContact OD1-NE2 2.91Å; N147-Q149 WeakPolarHBondContact O-CG 3.47Å; N147-Q149 PolarHBondContact O-N 2.87Å; Q149-K151 HydrophobicContact CB-CG 4.09Å; Q149-K151 PolarHBondContact O-N 2.84Å
150	A	98.5	Very high	97.8	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.008	28%	0.277	C	S	.	.	S	Bend	trans	56.6	38.8	-178.5	0	0	0	0	0	114.9	Q78 C80 Y148	Q78-A150 WeakPolarHBondContact CG-O 3.28Å; Q78-A150 PolarHBondContact NE2-O 3.45Å; Q78-A150 WeakPolarHBondContact O-CB 3.46Å; C80-A150 HydrophobicContact CB-CB 3.91Å; C80-A150 WeakPolarHBondContact CB-O 3.34Å; Y148-A150 HydrophobicContact CD1-CB 4.27Å; Y148-A150 HydrophobicContact CE1-CB 3.49Å; Y148-A150 VanDerWaalsContact CE1-CB 3.49Å; Y148-A150 HydrophobicContact CE2-CB 4.41Å
151	K	98.6	Very high	97.8	Very high	100 Å²	100	51.8 Å²	51.8	44%	0.435	28%	0.279	S	S	.	.	S	Bend	trans	-147.1	164.2	176.8	63	178.9	-177.1	-173.2	0	110.3	Q112 C123 Q149 G153	Q112-K151 PolarHBondContact NE2-O 3.2Å; C123-K151 WeakPolarHBondContact SG-CA 3.28Å; Q149-K151 HydrophobicContact CB-CG 4.09Å; Q149-K151 PolarHBondContact O-N 2.84Å; K151-G153 PolarHBondContact O-N 3.41Å
152	D	98.5	Very high	97.8	Very high	71 Å²	71	52.5 Å²	52.5	38%	0.38	29%	0.286	S	S	.	.			trans	-75.5	121.3	168.3	-61.5	-43.8	0	0	0	110	T122 C123 H124	T122-D152 VanDerWaalsContact CA-OD1 3.27Å; T122-D152 WeakPolarHBondContact CA-OD1 3.3Å; T122-D152 WeakPolarHBondContact CB-OD1 3.4Å; C123-D152 PolarHBondContact N-OD1 2.81Å; H124-D152 IonicContact CD2-OD2 3.36Å
153	G	96.9	Very high	97.8	Very high	31 Å²	31	54.7 Å²	54.7	32%	0.32	30%	0.298	S	S	.	.			trans	-110.1	179.8	173.8	0	0	0	0	0	112.6	D116 K151	D116-G153 WeakPolarHBondContact OD1-CA 3.17Å; D116-G153 PolarHBondContact OD1-N 3.47Å; K151-G153 PolarHBondContact O-N 3.41Å
154	T	97.7	Very high	97.7	Very high	94 Å²	94	57 Å²	57	58%	0.577	31%	0.314	S	S	*	.			trans	-97.4	142.9	175.2	47	0	0	0	0	110.7	D156 N159	T154-D156 PolarHBondContact O-N 3.48Å; T154-D156 PolarHBondContact OG1-OD2 3.3Å; T154-N159 VanDerWaalsContact O-CB 3.3Å; T154-N159 WeakPolarHBondContact O-CB 3.27Å; T154-N159 PolarHBondContact O-ND2 2.72Å
155	C	98	Very high	97.7	Very high	65 Å²	65	55.4 Å²	55.4	44%	0.439	30%	0.304	S	S	.	.			trans	-80.1	87.5	170.2	-166.5	0	0	0	0	111.6	D116 C117	D116-C155 WeakPolarHBondContact O-CB 3.31Å; C117-C155 VanDerWaalsContact CA-SG 3.55Å; C117-C155 HydrophobicContact CB-CB 3.91Å; C117-C155 WeakPolarHBondContact CB-SG 3.47Å; C117-C155 VanDerWaalsContact SG-CA 3.51Å; C117-C155 WeakPolarHBondContact SG-CB 3.34Å; C117-C155 CovalentContact SG-SG 2.05Å; C117-C155 PolarHBondContact SG-SG 3.02Å
156	D	97.3	Very high	97.6	Very high	64 Å²	64	59.3 Å²	59.3	34%	0.342	33%	0.328	S	S	.	.			trans	-115.3	171.3	169.2	62.6	53.2	0	0	0	111.1	T154 F158 N159 Q160	T154-D156 PolarHBondContact O-N 3.48Å; T154-D156 PolarHBondContact OG1-OD2 3.3Å; D156-F158 PolarHBondContact O-N 3.42Å; D156-F158 VanDerWaalsContact O-N 3.17Å; D156-F158 WeakPolarHBondContact OD1-CA 3.32Å; D156-F158 WeakPolarHBondContact OD1-CB 3.16Å; D156-F158 PolarHBondContact OD1-N 3.12Å; D156-N159 PolarHBondContact O-N 2.82Å; D156-N159 VanDerWaalsContact O-N 3.17Å; D156-N159 PolarHBondContact OD1-N 3.42Å; D156-N159 PolarHBondContact OD2-ND2 3.47Å; D156-Q160 VanDerWaalsContact O-CG 3.3Å; D156-Q160 WeakPolarHBondContact O-CG 3.41Å; D156-Q160 PolarHBondContact O-N 3.12Å
157	Q	97.1	Very high	97.4	Very high	126 Å²	126	67 Å²	67	59%	0.589	36%	0.362	S	S	*	.	H	α-helix	trans	-58	-32	-176.8	-68.5	-176.6	-19.5	0	0	113.4	C161 P172	Q157-C161 PolarHBondContact O-N 3.45Å; Q157-P172 HydrophobicContact CB-CB 3.7Å; Q157-P172 HydrophobicContact CB-CG 4.27Å
158	F	97.3	Very high	97.2	Very high	71 Å²	71	69.9 Å²	69.9	31%	0.311	38%	0.377	S	S	.	.	H	α-helix	trans	-73.7	-42.3	178.9	178	-96.3	0	0	0	111	D156 Q160 C161 G162 C170	D156-F158 PolarHBondContact O-N 3.42Å; D156-F158 VanDerWaalsContact O-N 3.17Å; D156-F158 WeakPolarHBondContact OD1-CA 3.32Å; D156-F158 WeakPolarHBondContact OD1-CB 3.16Å; D156-F158 PolarHBondContact OD1-N 3.12Å; F158-Q160 VanDerWaalsContact C-N 3.26Å; F158-Q160 PolarHBondContact O-N 3.05Å; F158-C161 CarbonylContact O-C 3.15Å; F158-C161 PolarHBondContact O-N 2.92Å; F158-G162 VanDerWaalsContact CD2-CA 3.47Å; F158-G162 VanDerWaalsContact CE2-CA 3.5Å; F158-G162 VanDerWaalsContact O-CA 3.3Å; F158-G162 WeakPolarHBondContact O-CA 3.49Å; F158-G162 PolarHBondContact O-N 2.89Å; F158-C170 HydrophobicContact CD2-CB 4.14Å; F158-C170 HydrophobicContact CE2-CB 3.56Å; F158-C170 HydrophobicContact CZ-CB 3.97Å
159	N	97.6	Very high	97.1	Very high	20 Å²	20	73.9 Å²	73.9	11%	0.107	40%	0.397	C	S	.	.	H	α-helix	trans	-73.7	-15	175.6	-67.8	-18.5	0	0	0	113.2	N146 T154 D156	N146-N159 WeakPolarHBondContact CB-O 3.39Å; N146-N159 PolarHBondContact ND2-O 2.63Å; T154-N159 VanDerWaalsContact O-CB 3.3Å; T154-N159 WeakPolarHBondContact O-CB 3.27Å; T154-N159 PolarHBondContact O-ND2 2.72Å; D156-N159 PolarHBondContact O-N 2.82Å; D156-N159 VanDerWaalsContact O-N 3.17Å; D156-N159 PolarHBondContact OD1-N 3.42Å; D156-N159 PolarHBondContact OD2-ND2 3.47Å
160	Q	97.7	Very high	97.1	Very high	60 Å²	60	74.3 Å²	74.3	28%	0.28	41%	0.406	S	S	.	.	H	α-helix	trans	-71.1	-52	166	-65.1	179.5	23.2	0	0	111.4	Y113 D156 F158 Y176	Y113-Q160 HydrophobicContact CD2-CB 4.47Å; Y113-Q160 HydrophobicContact CE2-CB 3.96Å; Y113-Q160 HydrophobicContact CE2-CG 3.91Å; D156-Q160 VanDerWaalsContact O-CG 3.3Å; D156-Q160 WeakPolarHBondContact O-CG 3.41Å; D156-Q160 PolarHBondContact O-N 3.12Å; F158-Q160 VanDerWaalsContact C-N 3.26Å; F158-Q160 PolarHBondContact O-N 3.05Å; Q160-Y176 PolarHBondContact OE1-OH 2.99Å
161	C	98.2	Very high	97	Very high	6 Å²	6	78.7 Å²	78.7	4%	0.041	43%	0.425	C	S	.	.	S	Bend	trans	-160.5	121.6	167.9	-168.2	0	0	0	0	108.8	C145 Q157 F158 P172 V173 Y176	C145-C161 VanDerWaalsContact CA-SG 3.51Å; C145-C161 HydrophobicContact CB-CB 3.56Å; C145-C161 WeakPolarHBondContact CB-SG 3.35Å; C145-C161 WeakPolarHBondContact O-CA 3.36Å; C145-C161 WeakPolarHBondContact SG-CB 3.43Å; C145-C161 CovalentContact SG-SG 2.05Å; C145-C161 PolarHBondContact SG-SG 2.83Å; Q157-C161 PolarHBondContact O-N 3.45Å; F158-C161 CarbonylContact O-C 3.15Å; F158-C161 PolarHBondContact O-N 2.92Å; C161-P172 WeakPolarHBondContact O-CA 3.45Å; C161-V173 HydrophobicContact CB-CB 4.29Å; C161-V173 PolarHBondContact O-N 3.35Å; C161-Y176 HydrophobicContact CB-CD1 3.32Å; C161-Y176 HydrophobicContact CB-CE1 3.48Å; C161-Y176 VanDerWaalsContact CB-CE1 3.48Å; C161-Y176 HydrophobicContact CB-CG 3.88Å
162	G	97.5	Very high	97	Very high	15 Å²	15	76.1 Å²	76.1	16%	0.155	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	153.1	-171.6	0	0	0	0	0	112.3	C145 F158	C145-G162 PolarHBondContact O-N 3.49Å; F158-G162 VanDerWaalsContact CD2-CA 3.47Å; F158-G162 VanDerWaalsContact CE2-CA 3.5Å; F158-G162 VanDerWaalsContact O-CA 3.3Å; F158-G162 WeakPolarHBondContact O-CA 3.49Å; F158-G162 PolarHBondContact O-N 2.89Å
163	N	97.4	Very high	96.9	Very high	84 Å²	84	74.7 Å²	74.7	45%	0.449	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	151.6	168.1	-166.4	12.8	0	0	0	110.3	C170 F171 V173	N163-C170 CarbonylContact O-C 3.57Å; N163-C170 WeakPolarHBondContact O-CA 3Å; N163-F171 HydrophobicContact CB-CE2 4.08Å; N163-F171 HydrophobicContact CB-CZ 3.97Å; N163-F171 PolarHBondContact N-O 2.89Å; N163-F171 PolarHBondContact O-N 2.85Å; N163-V173 HydrophobicContact CB-CG2 3.83Å
164	C	96.7	Very high	96.7	Very high	60 Å²	60	79.2 Å²	79.2	41%	0.405	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	141.6	176.4	-56.4	0	0	0	0	110.2	Q169 C170	C164-Q169 CarbonylContact C-O 3.53Å; C164-Q169 VanDerWaalsContact CA-O 3.28Å; C164-Q169 WeakPolarHBondContact CA-O 3.41Å; C164-C170 HydrophobicContact CB-CB 4.12Å; C164-C170 WeakPolarHBondContact CB-SG 3.49Å; C164-C170 WeakPolarHBondContact SG-CB 3.36Å; C164-C170 CovalentContact SG-SG 2.05Å; C164-C170 PolarHBondContact SG-SG 2.75Å
165	V	96.1	Very high	96.4	Very high	73 Å²	73	78.9 Å²	78.9	44%	0.442	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	179.4	167.2	-64.4	0	0	0	0	109.3	Q169 F171	V165-Q169 HydrophobicContact CG2-CB 3.71Å; V165-Q169 PolarHBondContact N-O 3.23Å; V165-F171 HydrophobicContact CG1-CE1 4.04Å
166	T	95.3	Very high	96.1	Very high	97 Å²	97	78.1 Å²	78.1	60%	0.595	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	164.3	176.4	-173.1	0	0	0	0	112.1	N168	T166-N168 VanDerWaalsContact C-N 3.31Å; T166-N168 PolarHBondContact O-N 3.07Å
167	F	95	Very high	95.9	Very high	172 Å²	172	77.6 Å²	77.6	75%	0.754	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.2	32.3	-177.5	-45.1	-67.5	0	0	0	114.3	Q169	F167-Q169 PolarHBondContact O-N 2.83Å
168	N	93.1	Very high	95.9	Very high	160 Å²	160	73.9 Å²	73.9	86%	0.856	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.7	31	177	-62.5	-23.2	0	0	0	114	T166	T166-N168 VanDerWaalsContact C-N 3.31Å; T166-N168 PolarHBondContact O-N 3.07Å
169	Q	96.6	Very high	95.9	Very high	122 Å²	122	71.3 Å²	71.3	57%	0.57	38%	0.383	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.6	109.8	176.3	-66.4	-176.2	-16.3	0	0	109.4	C164 V165 F167	C164-Q169 CarbonylContact C-O 3.53Å; C164-Q169 VanDerWaalsContact CA-O 3.28Å; C164-Q169 WeakPolarHBondContact CA-O 3.41Å; V165-Q169 HydrophobicContact CG2-CB 3.71Å; V165-Q169 PolarHBondContact N-O 3.23Å; F167-Q169 PolarHBondContact O-N 2.83Å
170	C	97.3	Very high	95.8	Very high	69 Å²	69	73.5 Å²	73.5	47%	0.466	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	144.5	178.8	-61.5	0	0	0	0	110.5	F158 N163 C164	F158-C170 HydrophobicContact CD2-CB 4.14Å; F158-C170 HydrophobicContact CE2-CB 3.56Å; F158-C170 HydrophobicContact CZ-CB 3.97Å; N163-C170 CarbonylContact O-C 3.57Å; N163-C170 WeakPolarHBondContact O-CA 3Å; C164-C170 HydrophobicContact CB-CB 4.12Å; C164-C170 WeakPolarHBondContact CB-SG 3.49Å; C164-C170 WeakPolarHBondContact SG-CB 3.36Å; C164-C170 CovalentContact SG-SG 2.05Å; C164-C170 PolarHBondContact SG-SG 2.75Å
171	F	97.6	Very high	95.8	Very high	93 Å²	93	70.7 Å²	70.7	41%	0.408	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	149.7	-179	57.7	-91.1	0	0	0	111.4	N163 V165 V173	N163-F171 HydrophobicContact CB-CE2 4.08Å; N163-F171 HydrophobicContact CB-CZ 3.97Å; N163-F171 PolarHBondContact N-O 2.89Å; N163-F171 PolarHBondContact O-N 2.85Å; V165-F171 HydrophobicContact CG1-CE1 4.04Å; F171-V173 HydrophobicContact CE2-CG2 4.33Å
172	P	97.7	Very high	95.8	Very high	46 Å²	46	71 Å²	71	30%	0.299	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	139	173.5	29.7	-34.5	0	0	0	110.7	Q157 C161	Q157-P172 HydrophobicContact CB-CB 3.7Å; Q157-P172 HydrophobicContact CB-CG 4.27Å; C161-P172 WeakPolarHBondContact O-CA 3.45Å
173	V	96.5	Very high	95.8	Very high	41 Å²	41	70.8 Å²	70.8	25%	0.248	38%	0.378	C	S	.	.			trans	-94.4	121.4	170.6	176.5	0	0	0	0	107.2	C161 N163 F171 Y176	C161-V173 HydrophobicContact CB-CB 4.29Å; C161-V173 PolarHBondContact O-N 3.35Å; N163-V173 HydrophobicContact CB-CG2 3.83Å; F171-V173 HydrophobicContact CE2-CG2 4.33Å; V173-Y176 HydrophobicContact CG1-CD1 4.49Å; V173-Y176 WeakPolarHBondContact O-CD1 3.18Å; V173-Y176 WeakPolarHBondContact O-CE1 3.27Å
174	N	92.5	Very high	95.8	Very high	126 Å²	126	67.1 Å²	67.1	67%	0.674	36%	0.358	S	S	*	.			trans	-92.8	-16.5	-176.4	-65.6	-43	0	0	0	114.1
175	N	92.2	Very high	95.9	Very high	86 Å²	86	64.3 Å²	64.3	46%	0.46	34%	0.339	S	S	.	.			trans	-114.7	88.5	-173.8	-171.8	49	0	0	0	110.7	A300 K301	N175-A300 WeakPolarHBondContact OD1-CB 3.45Å; N175-K301 PolarHBondContact OD1-O 3.33Å
176	Y	92.3	Very high	96	Very high	49 Å²	49	65.7 Å²	65.7	19%	0.192	34%	0.34	C	S	.	.			trans	-136.4	162.8	-179.6	51.6	-98.5	0	0	0	111.2	V141 Q160 C161 V173 L178 A300	V141-Y176 HydrophobicContact CB-CD2 4.49Å; V141-Y176 HydrophobicContact CG1-CD2 3.48Å; V141-Y176 VanDerWaalsContact CG1-CD2 3.48Å; V141-Y176 HydrophobicContact CG1-CE2 3.46Å; V141-Y176 VanDerWaalsContact CG1-CE2 3.46Å; V141-Y176 HydrophobicContact CG1-CG 4.43Å; Q160-Y176 PolarHBondContact OE1-OH 2.99Å; C161-Y176 HydrophobicContact CB-CD1 3.32Å; C161-Y176 HydrophobicContact CB-CE1 3.48Å; C161-Y176 VanDerWaalsContact CB-CE1 3.48Å; C161-Y176 HydrophobicContact CB-CG 3.88Å; V173-Y176 HydrophobicContact CG1-CD1 4.49Å; V173-Y176 WeakPolarHBondContact O-CD1 3.18Å; V173-Y176 WeakPolarHBondContact O-CE1 3.27Å; Y176-L178 HydrophobicContact CD2-CD2 4.37Å; Y176-L178 HydrophobicContact CD2-CG 4.36Å; Y176-L178 HydrophobicContact CE2-CD2 3.94Å; Y176-L178 HydrophobicContact CE2-CG 4.15Å; Y176-A300 WeakPolarHBondContact O-CB 3.14Å
177	T	93	Very high	96.1	Very high	54 Å²	54	61.2 Å²	61.2	33%	0.331	31%	0.313	S	S	.	.			trans	-83	138.7	179.8	-59.4	0	0	0	0	110.2	Y179 P297	T177-Y179 HydrophobicContact CG2-CE1 4.43Å; T177-Y179 HydrophobicContact CG2-CE2 4.41Å; T177-P297 HydrophobicContact CG2-CB 4.17Å
178	L	95.6	Very high	96.2	Very high	47 Å²	47	56.1 Å²	56.1	25%	0.246	29%	0.294	C	S	.	.	B	Isolated β-bridge	trans	-111.4	124	171.8	-72.7	166.4	0	0	0	109.5	V141 Y176	V141-L178 HydrophobicContact CG1-CD2 3.85Å; Y176-L178 HydrophobicContact CD2-CD2 4.37Å; Y176-L178 HydrophobicContact CD2-CG 4.36Å; Y176-L178 HydrophobicContact CE2-CD2 3.94Å; Y176-L178 HydrophobicContact CE2-CG 4.15Å
179	Y	96.9	Very high	96.5	Very high	17 Å²	17	50 Å²	50	7%	0.067	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-90.7	111	172.8	-61.5	-81.5	0	0	0	109	I96 L109 G139 I140 D142 T177	I96-Y179 HydrophobicContact CD1-CD1 3.77Å; I96-Y179 HydrophobicContact CD1-CG 4.03Å; I96-Y179 HydrophobicContact CG2-CD1 4.28Å; I96-Y179 HydrophobicContact CG2-CE1 4.27Å; L109-Y179 HydrophobicContact CD2-CD1 4.42Å; L109-Y179 HydrophobicContact CD2-CD2 3.2Å; L109-Y179 HydrophobicContact CD2-CE2 3.84Å; L109-Y179 HydrophobicContact CD2-CG 3.54Å; G139-Y179 CarbonylContact C-O 3.54Å; G139-Y179 VanDerWaalsContact CA-O 3.23Å; G139-Y179 WeakPolarHBondContact CA-O 3.31Å; I140-Y179 PolarHBondContact N-O 2.76Å; I140-Y179 VanDerWaalsContact O-CD2 3.32Å; I140-Y179 WeakPolarHBondContact O-CD2 3.44Å; I140-Y179 PolarHBondContact O-N 3.22Å; D142-Y179 HydrophobicContact CB-CE2 4.33Å; T177-Y179 HydrophobicContact CG2-CE1 4.43Å; T177-Y179 HydrophobicContact CG2-CE2 4.41Å
180	K	97.5	Very high	96.5	Very high	67 Å²	67	46.2 Å²	46.2	29%	0.291	25%	0.249	S	C	.	.			trans	-104.6	156.6	-175.2	-67.7	-164.7	171.6	-154.8	0	112.5	A135 H138 L295	A135-K180 WeakPolarHBondContact O-CA 3.32Å; H138-K180 WeakPolarHBondContact O-CE 3.36Å; K180-L295 HydrophobicContact CB-CB 4.41Å; K180-L295 HydrophobicContact CB-CD1 4.08Å; K180-L295 PolarHBondContact O-N 2.7Å
181	V	97.5	Very high	96.6	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.006	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	139	176.6	169.1	0	0	0	0	110.1	L92 A135 H136 Y184 A292 D293	L92-V181 HydrophobicContact CD1-CG2 3.63Å; L92-V181 HydrophobicContact CD2-CG2 3.67Å; L92-V181 HydrophobicContact CG-CG2 4.33Å; A135-V181 HydrophobicContact CB-CB 4.07Å; A135-V181 HydrophobicContact CB-CG2 3.61Å; A135-V181 PolarHBondContact O-N 2.87Å; H136-V181 WeakPolarHBondContact CA-O 3.32Å; H136-V181 HydrophobicContact CB-CB 4.46Å; H136-V181 PolarHBondContact ND1-O 2.7Å; V181-Y184 HydrophobicContact CG1-CD1 4.14Å; V181-Y184 HydrophobicContact CG1-CG 4.32Å; V181-A292 HydrophobicContact CB-CB 4.5Å; V181-A292 HydrophobicContact CG1-CB 3.72Å; V181-A292 HydrophobicContact CG2-CB 3.88Å; V181-D293 WeakPolarHBondContact CA-O 3.44Å
182	G	97.1	Very high	96.6	Very high	12 Å²	12	45 Å²	45	12%	0.124	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	-102.5	170.5	0	0	0	0	0	109.7	H136 D293	H136-G182 PolarHBondContact ND1-O 2.98Å; G182-D293 PolarHBondContact N-O 3.47Å
183	D	97.9	Very high	96.7	Very high	11 Å²	11	42.8 Å²	42.8	6%	0.059	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	136.5	174.7	-78.4	19.9	0	0	0	110.9	Y37 T39 T40 Y291 D293	Y37-D183 CarbonylContact O-C 3.08Å; Y37-D183 WeakPolarHBondContact O-CA 3.16Å; T39-D183 WeakPolarHBondContact CB-OD1 3.02Å; T39-D183 WeakPolarHBondContact CG2-OD1 3.07Å; T39-D183 VanDerWaalsContact N-CG 3.26Å; T39-D183 PolarHBondContact N-OD1 2.86Å; T39-D183 VanDerWaalsContact N-OD1 3.14Å; T39-D183 PolarHBondContact N-OD2 2.83Å; T39-D183 PolarHBondContact OG1-OD1 2.05Å; T39-D183 PolarHBondContact OG1-OD2 3.49Å; T40-D183 PolarHBondContact N-OD2 3.22Å; T40-D183 PolarHBondContact OG1-OD2 2.93Å; D183-Y291 HydrophobicContact CB-CE2 4.47Å; D183-D293 HydrophobicContact CB-CB 4.37Å; D183-D293 PolarHBondContact O-N 2.98Å
184	Y	98.3	Very high	96.8	Very high	7 Å²	7	41.2 Å²	41.2	3%	0.027	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	150	171.6	67.7	-78.9	0	0	0	110.6	L35 I36 Y37 L129 E133 H136 V181 Y291	L35-Y184 WeakPolarHBondContact O-CE2 3.43Å; I36-Y184 WeakPolarHBondContact CG2-O 3.14Å; Y37-Y184 CarbonylContact C-O 3.44Å; Y37-Y184 HydrophobicContact CG-CE1 4.48Å; Y37-Y184 PolarHBondContact N-O 2.82Å; Y37-Y184 VanDerWaalsContact N-O 3.12Å; Y37-Y184 PolarHBondContact O-N 2.99Å; L129-Y184 HydrophobicContact CD1-CD2 3.67Å; L129-Y184 HydrophobicContact CD1-CE2 4.17Å; L129-Y184 HydrophobicContact CG-CD2 4.39Å; L129-Y184 HydrophobicContact CG-CE2 4.42Å; E133-Y184 HydrophobicContact CB-CE2 3.79Å; E133-Y184 WeakPolarHBondContact CB-OH 3.37Å; E133-Y184 WeakPolarHBondContact CG-OH 3.29Å; H136-Y184 HydrophobicContact CB-CD1 4.04Å; H136-Y184 HydrophobicContact CB-CE1 3.67Å; H136-Y184 AromaticContact CG-CE1 3.75Å; H136-Y184 AromaticContact ND1-CE1 3.97Å; V181-Y184 HydrophobicContact CG1-CD1 4.14Å; V181-Y184 HydrophobicContact CG1-CG 4.32Å; Y184-Y291 VanDerWaalsContact CA-O 3.27Å; Y184-Y291 WeakPolarHBondContact CA-O 3.49Å; Y184-Y291 WeakPolarHBondContact CB-O 3.42Å
185	G	98.2	Very high	97.1	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	172.5	-164.6	-177	0	0	0	0	0	113.3	T290 Y291	G185-T290 CarbonylContact O-C 3.57Å; G185-T290 WeakPolarHBondContact O-CA 3.49Å; G185-T290 WeakPolarHBondContact O-CB 3.34Å; G185-Y291 VanDerWaalsContact C-CE1 3.43Å; G185-Y291 PolarHBondContact N-O 2.9Å; G185-Y291 VanDerWaalsContact N-O 3.11Å; G185-Y291 VanDerWaalsContact O-CD1 3.29Å; G185-Y291 WeakPolarHBondContact O-CD1 3.46Å; G185-Y291 PolarHBondContact O-N 3.32Å
186	E	97.7	Very high	97.4	Very high	102 Å²	102	31.1 Å²	31.1	48%	0.477	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	149.3	-176.8	-63.5	178.1	174.4	0	0	113.1	I36 C289 T290 Y291	I36-E186 HydrophobicContact CD1-CB 4.47Å; I36-E186 HydrophobicContact CD1-CG 4.03Å; E186-C289 CarbonylContact C-O 3.58Å; E186-C289 VanDerWaalsContact CA-O 3.27Å; E186-C289 WeakPolarHBondContact CA-O 3.27Å; E186-T290 HydrophobicContact CG-CG2 4.41Å; E186-Y291 WeakPolarHBondContact O-CE1 3.42Å
187	V	98.1	Very high	97.7	Very high	4 Å²	4	28.8 Å²	28.8	2%	0.024	15%	0.153	C	C	.	.			trans	-145.9	122.9	171.1	58.9	0	0	0	0	108.5	A192 M193 E196 I203 C289 Y291	V187-A192 HydrophobicContact CG2-CB 3.83Å; V187-A192 WeakPolarHBondContact CG2-O 3.21Å; V187-M193 HydrophobicContact CG2-CG 4.37Å; V187-E196 HydrophobicContact CG1-CB 4.49Å; V187-E196 HydrophobicContact CG1-CG 4.18Å; V187-E196 HydrophobicContact CG2-CB 4.04Å; V187-E196 HydrophobicContact CG2-CG 4.49Å; V187-I203 HydrophobicContact CG1-CD1 4.07Å; V187-I203 HydrophobicContact CG1-CG2 4.15Å; V187-C289 HydrophobicContact CG1-CB 4.19Å; V187-C289 PolarHBondContact N-O 3.13Å; V187-C289 WeakPolarHBondContact O-CB 3.49Å; V187-Y291 HydrophobicContact CB-CD1 4.11Å; V187-Y291 HydrophobicContact CG1-CD1 4.15Å
188	N	97.1	Very high	98	Very high	65 Å²	65	29.6 Å²	29.6	35%	0.348	15%	0.15	S	C	.	.			trans	-135.9	153.6	-173.4	-56.8	-50	0	0	0	110.9	A192 K287 M288 C289	N188-A192 WeakPolarHBondContact O-CB 3.39Å; N188-K287 VanDerWaalsContact CG-O 3.27Å; N188-K287 PolarHBondContact OD1-O 2.63Å; N188-M288 WeakPolarHBondContact OD1-CA 3.46Å; N188-M288 PolarHBondContact OD1-N 3.43Å; N188-C289 PolarHBondContact OD1-N 2.81Å
189	G	98.2	Very high	98.1	Very high	31 Å²	31	33.3 Å²	33.3	32%	0.32	16%	0.164	S	C	.	.	S	Bend	trans	81.4	142	-177.5	0	0	0	0	0	113	E191 A192 M193 E286	G189-E191 PolarHBondContact O-N 2.75Å; G189-A192 PolarHBondContact O-N 2.96Å; G189-A192 VanDerWaalsContact O-N 3.11Å; G189-M193 VanDerWaalsContact O-CG 3.32Å; G189-M193 WeakPolarHBondContact O-CG 3.09Å; G189-M193 PolarHBondContact O-N 3.23Å; G189-E286 PolarHBondContact N-O 2.69Å
190	R	98.4	Very high	98.1	Very high	42 Å²	42	34.7 Å²	34.7	16%	0.158	17%	0.173	C	C	.	.	H	α-helix	trans	-42.9	-58.9	-172.8	175	-177.3	169.8	-80.7	-3.7	115.3	A192 M193 M194 E248 W250 S271 E286	R190-A192 VanDerWaalsContact C-N 3.31Å; R190-A192 PolarHBondContact O-N 3.1Å; R190-M193 PolarHBondContact O-N 2.88Å; R190-M194 HydrophobicContact CG-CG 4.32Å; R190-M194 HydrophobicContact CG-SD 3.83Å; R190-M194 VanDerWaalsContact CZ-SD 3.5Å; R190-M194 VanDerWaalsContact O-CG 3.26Å; R190-M194 WeakPolarHBondContact O-CG 3.3Å; R190-M194 PolarHBondContact O-N 2.78Å; R190-E248 IonicContact CZ-OE1 3.37Å; R190-E248 IonicContact CZ-OE2 2.99Å; R190-E248 IonicContact NE-OE1 2.6Å; R190-E248 PolarHBondContact NE-OE1 3.09Å; R190-E248 IonicContact NE-OE2 3.92Å; R190-E248 VanDerWaalsContact NH2-CD 3.33Å; R190-E248 IonicContact NH2-OE1 2.94Å; R190-E248 PolarHBondContact NH2-OE1 2.78Å; R190-E248 IonicContact NH2-OE2 2.84Å; R190-E248 PolarHBondContact NH2-OE2 2.04Å; R190-W250 HydrophobicContact CB-CZ2 4.08Å; R190-W250 HydrophobicContact CG-CH2 4.33Å; R190-W250 HydrophobicContact CG-CZ2 3.87Å; R190-S271 WeakPolarHBondContact CB-OG 3.42Å; R190-E286 VanDerWaalsContact CB-OE2 3.3Å; R190-E286 WeakPolarHBondContact CB-OE2 3.06Å; R190-E286 PolarHBondContact N-OE2 2.95Å
191	E	98	Very high	98.2	Very high	122 Å²	122	31.5 Å²	31.5	57%	0.57	16%	0.159	S	C	*	.	H	α-helix	trans	-60.8	-40.8	-175	-78.9	-166.5	165	0	0	112.7	M50 G189 A195	M50-E191 HydrophobicContact CE-CB 3.56Å; M50-E191 HydrophobicContact CE-CG 3.98Å; G189-E191 PolarHBondContact O-N 2.75Å; E191-A195 PolarHBondContact O-N 2.79Å; E191-A195 VanDerWaalsContact O-N 3.12Å
192	A	98.5	Very high	98.3	Very high	14 Å²	14	31.4 Å²	31.4	12%	0.116	16%	0.159	C	C	.	.	H	α-helix	trans	-69	-41.2	-179.9	0	0	0	0	0	112	H44 V187 N188 G189 R190 A195 E196	H44-A192 HydrophobicContact CB-CB 3.92Å; V187-A192 HydrophobicContact CG2-CB 3.83Å; V187-A192 WeakPolarHBondContact CG2-O 3.21Å; N188-A192 WeakPolarHBondContact O-CB 3.39Å; G189-A192 PolarHBondContact O-N 2.96Å; G189-A192 VanDerWaalsContact O-N 3.11Å; R190-A192 VanDerWaalsContact C-N 3.31Å; R190-A192 PolarHBondContact O-N 3.1Å; A192-A195 PolarHBondContact O-N 2.94Å; A192-E196 WeakPolarHBondContact O-CB 3.48Å; A192-E196 PolarHBondContact O-N 3.36Å
193	M	98.8	Very high	98.3	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-64.4	-46.3	175.6	-67.2	163	60.7	0	0	111.5	V187 G189 R190 A195 E196 I197 I203 I236 W250 E286 C289	V187-M193 HydrophobicContact CG2-CG 4.37Å; G189-M193 VanDerWaalsContact O-CG 3.32Å; G189-M193 WeakPolarHBondContact O-CG 3.09Å; G189-M193 PolarHBondContact O-N 3.23Å; R190-M193 PolarHBondContact O-N 2.88Å; M193-A195 VanDerWaalsContact C-N 3.32Å; M193-A195 PolarHBondContact O-N 3.45Å; M193-E196 PolarHBondContact O-N 3.02Å; M193-I197 WeakPolarHBondContact O-CB 3.28Å; M193-I197 WeakPolarHBondContact O-CD1 3.25Å; M193-I197 VanDerWaalsContact O-CG1 3.24Å; M193-I197 WeakPolarHBondContact O-CG1 3.3Å; M193-I197 PolarHBondContact O-N 2.69Å; M193-I203 HydrophobicContact CB-CD1 3.83Å; M193-I203 HydrophobicContact CE-CD1 4.09Å; M193-I203 HydrophobicContact CG-CD1 3.78Å; M193-I236 HydrophobicContact CE-CD1 3.41Å; M193-I236 VanDerWaalsContact CE-CD1 3.41Å; M193-W250 HydrophobicContact CB-CH2 3.86Å; M193-W250 HydrophobicContact CB-CZ2 4.4Å; M193-W250 HydrophobicContact CE-CH2 4.3Å; M193-W250 HydrophobicContact CE-CZ2 4.03Å; M193-E286 HydrophobicContact CE-CB 4.35Å; M193-E286 HydrophobicContact CE-CG 4.03Å; M193-E286 VanDerWaalsContact SD-CA 3.55Å; M193-E286 HydrophobicContact SD-CB 3.77Å; M193-E286 HydrophobicContact SD-CG 3.93Å; M193-C289 VanDerWaalsContact CE-SG 3.57Å
194	M	98.8	Very high	98.4	Very high	8 Å²	8	30.3 Å²	30.3	4%	0.039	15%	0.15	C	C	.	.	H	α-helix	trans	-57.2	-46.4	176.8	-69.8	174.3	90.6	0	0	111.1	L53 R190 I197 Y198 W239 W250	L53-M194 HydrophobicContact CD1-CB 3.86Å; R190-M194 HydrophobicContact CG-CG 4.32Å; R190-M194 HydrophobicContact CG-SD 3.83Å; R190-M194 VanDerWaalsContact CZ-SD 3.5Å; R190-M194 VanDerWaalsContact O-CG 3.26Å; R190-M194 WeakPolarHBondContact O-CG 3.3Å; R190-M194 PolarHBondContact O-N 2.78Å; M194-I197 PolarHBondContact O-N 2.65Å; M194-Y198 VanDerWaalsContact O-CB 3.28Å; M194-Y198 WeakPolarHBondContact O-CB 3.39Å; M194-Y198 PolarHBondContact O-N 3.34Å; M194-W239 HydrophobicContact CB-CE3 4.41Å; M194-W239 HydrophobicContact CB-CH2 3.75Å; M194-W239 HydrophobicContact CB-CZ2 4.23Å; M194-W239 HydrophobicContact CB-CZ3 3.91Å; M194-W239 HydrophobicContact CE-CD2 3.89Å; M194-W239 HydrophobicContact CE-CG 4.09Å; M194-W239 HydrophobicContact CE-CH2 4.36Å; M194-W239 HydrophobicContact CE-CZ2 3.62Å; M194-W239 VanDerWaalsContact CE-NE1 3.27Å; M194-W239 HydrophobicContact CG-CD2 4.26Å; M194-W239 HydrophobicContact CG-CE3 4.21Å; M194-W239 HydrophobicContact CG-CH2 4.25Å; M194-W239 HydrophobicContact CG-CZ2 4.41Å; M194-W239 HydrophobicContact CG-CZ3 4.21Å; M194-W239 VanDerWaalsContact O-CH2 3.28Å; M194-W239 WeakPolarHBondContact O-CH2 3.16Å; M194-W239 WeakPolarHBondContact O-CZ3 3.49Å; M194-W250 HydrophobicContact CB-CH2 4.45Å; M194-W250 HydrophobicContact CG-CH2 3.47Å; M194-W250 VanDerWaalsContact CG-CH2 3.47Å; M194-W250 HydrophobicContact CG-CZ2 4.46Å; M194-W250 HydrophobicContact CG-CZ3 3.88Å
195	A	98.7	Very high	98.4	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-65.8	-41.3	-179.8	0	0	0	0	0	112.8	P43 H44 I49 M50 L53 E191 A192 M193 K199	P43-A195 HydrophobicContact CB-CB 3.96Å; P43-A195 VanDerWaalsContact CB-O 3.28Å; P43-A195 WeakPolarHBondContact CB-O 3.11Å; H44-A195 HydrophobicContact CB-CB 3.93Å; I49-A195 HydrophobicContact CG2-CB 4.29Å; M50-A195 HydrophobicContact SD-CB 3.65Å; L53-A195 HydrophobicContact CD1-CB 4.48Å; L53-A195 HydrophobicContact CD2-CB 4.25Å; E191-A195 PolarHBondContact O-N 2.79Å; E191-A195 VanDerWaalsContact O-N 3.12Å; A192-A195 PolarHBondContact O-N 2.94Å; M193-A195 VanDerWaalsContact C-N 3.32Å; M193-A195 PolarHBondContact O-N 3.45Å; A195-K199 VanDerWaalsContact O-CB 3.26Å; A195-K199 WeakPolarHBondContact O-CB 3.1Å; A195-K199 PolarHBondContact O-N 3.12Å; A195-K199 VanDerWaalsContact O-N 3.08Å
196	E	98.8	Very high	98.4	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-63.3	-48.1	175.6	-178.7	60.2	-140.9	0	0	111.3	R42 P43 R95 V187 A192 M193 K199 N200 G201 I203 Y291	R42-E196 IonicContact CZ-OE1 2.78Å; R42-E196 IonicContact CZ-OE2 3.02Å; R42-E196 IonicContact NE-OE2 3.58Å; R42-E196 PolarHBondContact NE-OE2 3.17Å; R42-E196 IonicContact NH2-OE1 2.97Å; R42-E196 PolarHBondContact NH2-OE1 3.41Å; R42-E196 IonicContact NH2-OE2 3.47Å; R42-E196 PolarHBondContact NH2-OE2 3.12Å; P43-E196 WeakPolarHBondContact CD-OE2 3.3Å; R95-E196 IonicContact CZ-OE1 3.72Å; R95-E196 IonicContact NH1-OE1 3.25Å; R95-E196 PolarHBondContact NH1-OE1 2.95Å; R95-E196 IonicContact NH2-OE1 2.65Å; R95-E196 PolarHBondContact NH2-OE1 3.39Å; V187-E196 HydrophobicContact CG1-CB 4.49Å; V187-E196 HydrophobicContact CG1-CG 4.18Å; V187-E196 HydrophobicContact CG2-CB 4.04Å; V187-E196 HydrophobicContact CG2-CG 4.49Å; A192-E196 WeakPolarHBondContact O-CB 3.48Å; A192-E196 PolarHBondContact O-N 3.36Å; M193-E196 PolarHBondContact O-N 3.02Å; E196-K199 PolarHBondContact O-N 2.9Å; E196-N200 WeakPolarHBondContact O-CB 3.48Å; E196-N200 PolarHBondContact O-N 3.12Å; E196-N200 VanDerWaalsContact OE1-CB 3.28Å; E196-N200 WeakPolarHBondContact OE1-CB 3.45Å; E196-N200 PolarHBondContact OE1-ND2 2.89Å; E196-N200 PolarHBondContact OE2-ND2 3.23Å; E196-G201 PolarHBondContact O-N 3.25Å; E196-I203 HydrophobicContact CG-CG2 3.7Å; E196-Y291 HydrophobicContact CG-CG 4.5Å
197	I	98.8	Very high	98.5	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-59.9	-54.2	178	-68	162.9	0	0	0	110.1	W59 M193 M194 K199 G201 I203 I236 W239 W250	W59-I197 PolarHBondContact NE1-O 3.04Å; M193-I197 WeakPolarHBondContact O-CB 3.28Å; M193-I197 WeakPolarHBondContact O-CD1 3.25Å; M193-I197 VanDerWaalsContact O-CG1 3.24Å; M193-I197 WeakPolarHBondContact O-CG1 3.3Å; M193-I197 PolarHBondContact O-N 2.69Å; M194-I197 PolarHBondContact O-N 2.65Å; I197-K199 VanDerWaalsContact C-N 3.3Å; I197-K199 PolarHBondContact O-N 2.78Å; I197-G201 WeakPolarHBondContact CA-O 3.4Å; I197-G201 WeakPolarHBondContact O-CA 3.36Å; I197-G201 PolarHBondContact O-N 3.23Å; I197-I203 HydrophobicContact CD1-CD1 3.87Å; I197-I203 HydrophobicContact CD1-CG1 3.93Å; I197-I203 HydrophobicContact CG1-CD1 3.99Å; I197-I203 HydrophobicContact CG1-CG1 3.85Å; I197-I203 HydrophobicContact CG1-CG2 4.26Å; I197-I236 HydrophobicContact CD1-CB 4.11Å; I197-I236 HydrophobicContact CD1-CG2 3.65Å; I197-W239 HydrophobicContact CB-CZ3 4.05Å; I197-W239 HydrophobicContact CG2-CE3 4.39Å; I197-W239 HydrophobicContact CG2-CZ3 3.95Å; I197-W250 HydrophobicContact CD1-CE3 4.44Å; I197-W250 HydrophobicContact CD1-CZ3 3.91Å
198	Y	98.5	Very high	98.5	Very high	71 Å²	71	25.3 Å²	25.3	28%	0.278	13%	0.126	S	C	.	.	H	α-helix	trans	-58.9	-40.5	-177.3	176.9	-116.6	0	0	0	113.3	L53 P54 W57 W59 M194	L53-Y198 HydrophobicContact CD2-CD1 3.87Å; L53-Y198 HydrophobicContact CD2-CG 4.11Å; P54-Y198 HydrophobicContact CG-CD2 3.91Å; P54-Y198 HydrophobicContact CG-CE2 3.84Å; W57-Y198 AromaticContact CD2-CD2 3.55Å; W57-Y198 HydrophobicContact CD2-CD2 3.55Å; W57-Y198 AromaticContact CD2-CE2 3.93Å; W57-Y198 HydrophobicContact CD2-CE2 3.93Å; W57-Y198 AromaticContact CE2-CD2 3.63Å; W57-Y198 AromaticContact CE3-CD2 3.78Å; W57-Y198 HydrophobicContact CE3-CD2 3.78Å; W57-Y198 AromaticContact CE3-CE2 3.67Å; W57-Y198 HydrophobicContact CE3-CE2 3.67Å; W57-Y198 HydrophobicContact CG-CD2 4.03Å; W57-Y198 HydrophobicContact CH2-CD2 4.11Å; W57-Y198 AromaticContact CH2-CE2 3.69Å; W57-Y198 HydrophobicContact CH2-CE2 3.69Å; W57-Y198 AromaticContact CZ2-CD2 3.91Å; W57-Y198 HydrophobicContact CZ2-CD2 3.91Å; W57-Y198 AromaticContact CZ2-CE2 3.96Å; W57-Y198 HydrophobicContact CZ2-CE2 3.96Å; W57-Y198 HydrophobicContact CZ3-CD2 4.06Å; W57-Y198 AromaticContact CZ3-CE2 3.55Å; W57-Y198 HydrophobicContact CZ3-CE2 3.55Å; W59-Y198 WeakPolarHBondContact CZ2-O 3.48Å; M194-Y198 VanDerWaalsContact O-CB 3.28Å; M194-Y198 WeakPolarHBondContact O-CB 3.39Å; M194-Y198 PolarHBondContact O-N 3.34Å
199	K	97.9	Very high	98.6	Very high	125 Å²	125	23 Å²	23	54%	0.543	12%	0.115	S	C	.	.	H	α-helix	trans	-85.8	-38.1	-172.8	-173.4	57.1	-177.2	169.9	0	113.2	P43 I49 A195 E196 I197	P43-K199 HydrophobicContact CB-CB 3.77Å; P43-K199 HydrophobicContact CB-CG 4.15Å; P43-K199 HydrophobicContact CG-CB 3.58Å; P43-K199 HydrophobicContact CG-CG 3.8Å; I49-K199 HydrophobicContact CD1-CG 4.39Å; A195-K199 VanDerWaalsContact O-CB 3.26Å; A195-K199 WeakPolarHBondContact O-CB 3.1Å; A195-K199 PolarHBondContact O-N 3.12Å; A195-K199 VanDerWaalsContact O-N 3.08Å; E196-K199 PolarHBondContact O-N 2.9Å; I197-K199 VanDerWaalsContact C-N 3.3Å; I197-K199 PolarHBondContact O-N 2.78Å
200	N	98	Very high	98.6	Very high	46 Å²	46	22.3 Å²	22.3	25%	0.246	10%	0.104	C	C	.	.	H	α-helix	trans	-123.2	-17.6	-166.6	-62.6	-30.1	0	0	0	114.2	R42 P43 E196	R42-N200 PolarHBondContact NH2-ND2 3.23Å; P43-N200 VanDerWaalsContact CG-ND2 3.27Å; P43-N200 WeakPolarHBondContact CG-ND2 3.25Å; E196-N200 WeakPolarHBondContact O-CB 3.48Å; E196-N200 PolarHBondContact O-N 3.12Å; E196-N200 VanDerWaalsContact OE1-CB 3.28Å; E196-N200 WeakPolarHBondContact OE1-CB 3.45Å; E196-N200 PolarHBondContact OE1-ND2 2.89Å; E196-N200 PolarHBondContact OE2-ND2 3.23Å
201	G	98.7	Very high	98.6	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.131	C	C	.	.			trans	115.8	179.8	177.3	0	0	0	0	0	114.9	R95 E196 I197	R95-G201 PolarHBondContact NE-O 3.32Å; R95-G201 PolarHBondContact NH2-O 2.97Å; E196-G201 PolarHBondContact O-N 3.25Å; I197-G201 WeakPolarHBondContact CA-O 3.4Å; I197-G201 WeakPolarHBondContact O-CA 3.36Å; I197-G201 PolarHBondContact O-N 3.23Å
202	P	98.9	Very high	98.6	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.13	C	C	.	.			trans	-51.8	151.7	-175.4	-30	38.2	0	0	0	114.8	W59 A91 D94 R95 I98 I236 V237	W59-P202 HydrophobicContact CB-CG 4.11Å; W59-P202 HydrophobicContact CG-CG 4.31Å; A91-P202 HydrophobicContact CB-CB 4.39Å; D94-P202 HydrophobicContact CB-CB 4.38Å; D94-P202 HydrophobicContact CB-CG 3.72Å; R95-P202 PolarHBondContact NE-O 3.12Å; R95-P202 PolarHBondContact NH2-O 3.21Å; I98-P202 VanDerWaalsContact CD1-CD 3.5Å; P202-I236 CarbonylContact C-O 3.52Å; P202-I236 WeakPolarHBondContact CA-O 3.32Å; P202-I236 WeakPolarHBondContact CB-O 3.19Å; P202-V237 HydrophobicContact CB-CB 4.4Å; P202-V237 HydrophobicContact CB-CG1 3.99Å; P202-V237 HydrophobicContact CG-CB 4.07Å; P202-V237 HydrophobicContact CG-CG1 3.91Å
203	I	98.9	Very high	98.6	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	152	-179.6	56.5	177.4	0	0	0	110.4	R95 V187 M193 E196 I197 S235 I236 C289 T290	R95-I203 VanDerWaalsContact NH2-CG2 3.34Å; V187-I203 HydrophobicContact CG1-CD1 4.07Å; V187-I203 HydrophobicContact CG1-CG2 4.15Å; M193-I203 HydrophobicContact CB-CD1 3.83Å; M193-I203 HydrophobicContact CE-CD1 4.09Å; M193-I203 HydrophobicContact CG-CD1 3.78Å; E196-I203 HydrophobicContact CG-CG2 3.7Å; I197-I203 HydrophobicContact CD1-CD1 3.87Å; I197-I203 HydrophobicContact CD1-CG1 3.93Å; I197-I203 HydrophobicContact CG1-CD1 3.99Å; I197-I203 HydrophobicContact CG1-CG1 3.85Å; I197-I203 HydrophobicContact CG1-CG2 4.26Å; I203-S235 CarbonylContact O-C 3.27Å; I203-S235 VanDerWaalsContact O-CA 3.27Å; I203-S235 WeakPolarHBondContact O-CA 3.29Å; I203-I236 HydrophobicContact CG1-CB 4.13Å; I203-I236 PolarHBondContact N-O 2.79Å; I203-I236 PolarHBondContact O-N 3.11Å; I203-C289 HydrophobicContact CD1-CB 3.9Å; I203-C289 HydrophobicContact CG1-CB 4.47Å; I203-T290 WeakPolarHBondContact CB-O 3.42Å
204	A	98.9	Very high	98.6	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	132.8	172.6	0	0	0	0	0	109.6	A91 M128 V233 I234 C289 T290	A91-A204 HydrophobicContact CB-CB 4.44Å; M128-A204 HydrophobicContact CB-CB 4.48Å; M128-A204 HydrophobicContact SD-CB 4.06Å; A204-V233 HydrophobicContact CB-CG1 4.33Å; A204-I234 CarbonylContact C-O 3.57Å; A204-I234 VanDerWaalsContact CA-O 3.27Å; A204-I234 WeakPolarHBondContact CA-O 2.95Å; A204-C289 CarbonylContact O-C 3.56Å; A204-C289 WeakPolarHBondContact O-CA 3.49Å; A204-C289 VanDerWaalsContact O-CB 3.28Å; A204-C289 WeakPolarHBondContact O-CB 3.17Å; A204-T290 PolarHBondContact N-O 2.7Å; A204-T290 PolarHBondContact O-N 2.91Å; A204-T290 PolarHBondContact O-OG1 2.94Å
205	C	98.8	Very high	98.6	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	144.7	-176.8	-64.5	0	0	0	0	111.5	V233 I234 I236 I285 M288 C289	C205-V233 CarbonylContact O-C 3.48Å; C205-V233 WeakPolarHBondContact O-CA 3.28Å; C205-I234 HydrophobicContact CB-CD1 3.78Å; C205-I234 PolarHBondContact N-O 3.5Å; C205-I234 PolarHBondContact O-N 2.87Å; C205-I236 HydrophobicContact CB-CD1 4.09Å; C205-I236 HydrophobicContact CB-CG1 4.21Å; C205-I236 WeakPolarHBondContact SG-CD1 3.48Å; C205-I285 HydrophobicContact CB-CG1 4.4Å; C205-M288 CarbonylContact C-O 3.46Å; C205-M288 WeakPolarHBondContact CA-O 3.4Å; C205-C289 HydrophobicContact CB-CB 3.92Å; C205-C289 WeakPolarHBondContact CB-SG 3.36Å; C205-C289 WeakPolarHBondContact SG-CB 3.31Å; C205-C289 CovalentContact SG-SG 2.02Å; C205-C289 PolarHBondContact SG-SG 3.28Å
206	G	98.7	Very high	98.6	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	145.9	165.7	0	0	0	0	0	111.5	H232 I285 M288	G206-H232 CarbonylContact C-O 3.59Å; G206-H232 VanDerWaalsContact CA-O 3.29Å; G206-H232 WeakPolarHBondContact CA-O 3.24Å; G206-I285 WeakPolarHBondContact O-CA 3.38Å; G206-M288 PolarHBondContact N-O 3.06Å
207	I	98.8	Very high	98.5	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	152.6	173	-164.7	176.7	0	0	0	109.3	V209 F213 N231 H232 I234 F266 I268 L283 I285	I207-V209 HydrophobicContact CG2-CG2 4.41Å; I207-F213 HydrophobicContact CD1-CE2 4.09Å; I207-F213 HydrophobicContact CD1-CZ 4.1Å; I207-N231 PolarHBondContact O-N 3.38Å; I207-N231 VanDerWaalsContact O-N 3.1Å; I207-N231 PolarHBondContact O-OD1 3.48Å; I207-H232 HydrophobicContact CG2-CB 3.97Å; I207-H232 PolarHBondContact N-O 3.02Å; I207-H232 PolarHBondContact O-N 3.12Å; I207-H232 VanDerWaalsContact O-N 3.08Å; I207-I234 HydrophobicContact CB-CG1 4.43Å; I207-I234 HydrophobicContact CG2-CG1 4.15Å; I207-I234 HydrophobicContact CG2-CG2 3.97Å; I207-F266 HydrophobicContact CD1-CE2 3.97Å; I207-F266 HydrophobicContact CD1-CZ 3.93Å; I207-I268 HydrophobicContact CD1-CD1 4.19Å; I207-L283 HydrophobicContact CD1-CB 4.12Å; I207-L283 HydrophobicContact CD1-CD1 4.33Å; I207-L283 HydrophobicContact CG1-CB 3.62Å; I207-L283 HydrophobicContact CG1-CD1 4.48Å; I207-L283 WeakPolarHBondContact CG1-O 3.39Å; I207-I285 HydrophobicContact CB-CG1 4.41Å; I207-I285 HydrophobicContact CD1-CB 4.41Å; I207-I285 HydrophobicContact CD1-CD1 4.03Å; I207-I285 HydrophobicContact CD1-CG1 4.23Å; I207-I285 HydrophobicContact CG1-CB 4.28Å; I207-I285 HydrophobicContact CG1-CG1 4.34Å
208	E	98.7	Very high	98.5	Very high	7 Å²	7	41.8 Å²	41.8	3%	0.033	23%	0.232	C	C	.	.			trans	-79.4	124.1	162.8	180	175	-138.7	0	0	109.3	T210 R225 P228 M229 L283	E208-T210 HydrophobicContact CG-CG2 3.94Å; E208-R225 IonicContact OE1-CZ 2.73Å; E208-R225 IonicContact OE1-NE 2.7Å; E208-R225 IonicContact OE1-NH2 3.5Å; E208-R225 PolarHBondContact OE1-NH2 2.87Å; E208-R225 IonicContact OE2-CZ 3.71Å; E208-R225 IonicContact OE2-NE 3.53Å; E208-R225 PolarHBondContact OE2-NE 3.07Å; E208-R225 IonicContact OE2-NH2 2.98Å; E208-P228 HydrophobicContact CB-CB 4.13Å; E208-P228 WeakPolarHBondContact OE2-CA 3.15Å; E208-P228 WeakPolarHBondContact OE2-CB 3.34Å; E208-M229 WeakPolarHBondContact CA-O 3.47Å; E208-M229 VanDerWaalsContact CB-O 3.27Å; E208-M229 WeakPolarHBondContact CB-O 3.4Å; E208-M229 VanDerWaalsContact CG-O 3.31Å; E208-M229 WeakPolarHBondContact CG-O 3.47Å; E208-M229 PolarHBondContact OE1-N 3.48Å; E208-L283 HydrophobicContact CB-CB 4.22Å; E208-L283 PolarHBondContact N-O 2.85Å; E208-L283 VanDerWaalsContact O-CD1 3.23Å; E208-L283 WeakPolarHBondContact O-CD1 3.34Å
209	V	98.4	Very high	98.5	Very high	18 Å²	18	39.8 Å²	39.8	11%	0.109	23%	0.233	C	C	.	.			trans	-93.3	125.5	165.8	169.1	0	0	0	0	108.4	I207 F213 E214 N231 H232 W256	I207-V209 HydrophobicContact CG2-CG2 4.41Å; V209-F213 HydrophobicContact CB-CD1 4.4Å; V209-F213 HydrophobicContact CG1-CD1 4.26Å; V209-F213 HydrophobicContact CG2-CD1 3.89Å; V209-F213 HydrophobicContact CG2-CE1 4.08Å; V209-E214 HydrophobicContact CG1-CG 3.62Å; V209-N231 WeakPolarHBondContact CB-OD1 3.25Å; V209-N231 PolarHBondContact N-OD1 2.76Å; V209-N231 PolarHBondContact O-ND2 2.94Å; V209-H232 HydrophobicContact CB-CB 4.25Å; V209-H232 HydrophobicContact CG2-CB 3.36Å; V209-H232 VanDerWaalsContact CG2-CD2 3.48Å; V209-H232 WeakPolarHBondContact CG2-CD2 3.21Å; V209-W256 HydrophobicContact CB-CH2 4.47Å; V209-W256 HydrophobicContact CG1-CH2 3.7Å; V209-W256 HydrophobicContact CG1-CZ2 4.09Å; V209-W256 HydrophobicContact CG2-CH2 3.86Å; V209-W256 HydrophobicContact CG2-CZ2 3.92Å
210	T	98.5	Very high	98.5	Very high	16 Å²	16	35.9 Å²	35.9	10%	0.098	22%	0.218	C	C	.	.			trans	-116.4	163.5	174.6	67.5	0	0	0	0	109.8	E208 N212 F213 E214 E223 L283	E208-T210 HydrophobicContact CG-CG2 3.94Å; T210-N212 PolarHBondContact O-N 3.21Å; T210-N212 PolarHBondContact OG1-N 3.11Å; T210-F213 WeakPolarHBondContact O-CA 3.26Å; T210-F213 WeakPolarHBondContact O-CB 2.94Å; T210-F213 PolarHBondContact O-N 2.78Å; T210-F213 PolarHBondContact OG1-N 3.07Å; T210-E214 PolarHBondContact O-N 3.34Å; T210-E223 WeakPolarHBondContact CB-OE2 3.27Å; T210-E223 WeakPolarHBondContact CG2-OE2 3.49Å; T210-E223 PolarHBondContact OG1-OE2 3.46Å; T210-L283 HydrophobicContact CG2-CD2 4.26Å
211	D	98.3	Very high	98.6	Very high	135 Å²	135	34.9 Å²	34.9	72%	0.722	21%	0.211	S	C	*	.	H	α-helix	trans	-55.1	-36.1	173.5	-59.2	-6.5	0	0	0	112.1	E214 A215	D211-E214 PolarHBondContact O-N 2.82Å; D211-A215 WeakPolarHBondContact O-CB 3.5Å; D211-A215 PolarHBondContact O-N 2.93Å; D211-A215 VanDerWaalsContact O-N 3.09Å
212	N	98.5	Very high	98.6	Very high	101 Å²	101	37 Å²	37	54%	0.54	23%	0.229	S	C	.	.	H	α-helix	trans	-67.4	-37.3	176.3	-69.4	-34.2	0	0	0	112	T210 A215 Y221 E223	T210-N212 PolarHBondContact O-N 3.21Å; T210-N212 PolarHBondContact OG1-N 3.11Å; N212-A215 PolarHBondContact O-N 2.02Å; N212-Y221 WeakPolarHBondContact CB-OH 3.38Å; N212-E223 PolarHBondContact ND2-OE1 3.06Å
213	F	98.7	Very high	98.5	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-70.8	-40.2	175.6	-175.2	-97.9	0	0	0	111.4	I207 V209 T210 A215 Y216 Y221 W256 W260 F266 L283	I207-F213 HydrophobicContact CD1-CE2 4.09Å; I207-F213 HydrophobicContact CD1-CZ 4.1Å; V209-F213 HydrophobicContact CB-CD1 4.4Å; V209-F213 HydrophobicContact CG1-CD1 4.26Å; V209-F213 HydrophobicContact CG2-CD1 3.89Å; V209-F213 HydrophobicContact CG2-CE1 4.08Å; T210-F213 WeakPolarHBondContact O-CA 3.26Å; T210-F213 WeakPolarHBondContact O-CB 2.94Å; T210-F213 PolarHBondContact O-N 2.78Å; T210-F213 PolarHBondContact OG1-N 3.07Å; F213-A215 PolarHBondContact O-N 2.92Å; F213-Y216 WeakPolarHBondContact O-CB 3.28Å; F213-Y216 PolarHBondContact O-N 2.9Å; F213-Y221 WeakPolarHBondContact CA-OH 3.12Å; F213-Y221 HydrophobicContact CB-CE2 4.34Å; F213-Y221 HydrophobicContact CD2-CD1 4.25Å; F213-Y221 HydrophobicContact CD2-CD2 4.32Å; F213-Y221 HydrophobicContact CD2-CE1 4.09Å; F213-Y221 HydrophobicContact CD2-CE2 4.12Å; F213-Y221 HydrophobicContact CD2-CG 4.36Å; F213-Y221 AromaticContact CD2-CZ 3.99Å; F213-Y221 PolarHBondContact N-OH 3.2Å; F213-Y221 VanDerWaalsContact N-OH 3.12Å; F213-W256 AromaticContact CD1-CH2 3.82Å; F213-W256 HydrophobicContact CD1-CH2 3.82Å; F213-W256 HydrophobicContact CD1-CZ3 4.1Å; F213-W256 AromaticContact CE1-CH2 3.83Å; F213-W256 HydrophobicContact CE1-CH2 3.83Å; F213-W256 HydrophobicContact CE1-CZ3 4.04Å; F213-W260 HydrophobicContact CD1-CZ2 4.24Å; F213-W260 AromaticContact CE1-CH2 3.85Å; F213-W260 HydrophobicContact CE1-CH2 3.85Å; F213-W260 AromaticContact CE1-CZ2 3.82Å; F213-W260 HydrophobicContact CE1-CZ2 3.82Å; F213-W260 HydrophobicContact CE2-CH2 4.31Å; F213-W260 AromaticContact CZ-CH2 3.64Å; F213-W260 HydrophobicContact CZ-CH2 3.64Å; F213-W260 HydrophobicContact CZ-CZ2 4Å; F213-W260 WeakPolarHBondContact O-CZ2 3.34Å; F213-F266 AromaticContact CE2-CD2 3.7Å; F213-F266 HydrophobicContact CE2-CD2 3.7Å; F213-F266 AromaticContact CE2-CE2 3.69Å; F213-F266 HydrophobicContact CE2-CE2 3.69Å; F213-F266 HydrophobicContact CE2-CG 4.15Å; F213-F266 HydrophobicContact CE2-CZ 4.14Å; F213-F266 HydrophobicContact CZ-CD1 4.06Å; F213-F266 AromaticContact CZ-CD2 3.96Å; F213-F266 HydrophobicContact CZ-CD2 3.96Å; F213-F266 AromaticContact CZ-CE1 3.89Å; F213-F266 HydrophobicContact CZ-CE1 3.89Å; F213-F266 AromaticContact CZ-CE2 3.78Å; F213-F266 HydrophobicContact CZ-CE2 3.78Å; F213-F266 HydrophobicContact CZ-CG 4.08Å; F213-F266 AromaticContact CZ-CZ 3.74Å; F213-F266 HydrophobicContact CZ-CZ 3.74Å; F213-L283 HydrophobicContact CB-CD1 4.07Å; F213-L283 HydrophobicContact CD2-CD1 3.74Å; F213-L283 HydrophobicContact CE2-CD1 4.49Å; F213-L283 HydrophobicContact CG-CD1 4.06Å
214	E	98.2	Very high	98.5	Very high	111 Å²	111	43 Å²	43	52%	0.519	26%	0.259	S	S	.	.	H	α-helix	trans	-57.9	-37.5	173.2	-68.7	-170.6	172.6	0	0	111.9	V209 T210 D211 Y216 W256 W260	V209-E214 HydrophobicContact CG1-CG 3.62Å; T210-E214 PolarHBondContact O-N 3.34Å; D211-E214 PolarHBondContact O-N 2.82Å; E214-Y216 VanDerWaalsContact C-N 3.25Å; E214-Y216 PolarHBondContact O-N 2.79Å; E214-W256 HydrophobicContact CG-CH2 4.04Å; E214-W256 HydrophobicContact CG-CZ3 4.28Å; E214-W260 PolarHBondContact O-NE1 2.8Å
215	A	98.4	Very high	98.5	Very high	74 Å²	74	47.5 Å²	47.5	61%	0.612	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	1.1	177.4	0	0	0	0	0	115.1	D211 N212 F213 T217	D211-A215 WeakPolarHBondContact O-CB 3.5Å; D211-A215 PolarHBondContact O-N 2.93Å; D211-A215 VanDerWaalsContact O-N 3.09Å; N212-A215 PolarHBondContact O-N 2.02Å; F213-A215 PolarHBondContact O-N 2.92Å; A215-T217 PolarHBondContact O-N 3.35Å
216	Y	98.7	Very high	98.3	Very high	14 Å²	14	54.4 Å²	54.4	6%	0.055	31%	0.307	C	S	.	.			trans	-62.2	132.2	-179.1	174.4	-100.5	0	0	0	112.8	F213 E214 G218 G219 Y221 W260 E262 F266 R267	F213-Y216 WeakPolarHBondContact O-CB 3.28Å; F213-Y216 PolarHBondContact O-N 2.9Å; E214-Y216 VanDerWaalsContact C-N 3.25Å; E214-Y216 PolarHBondContact O-N 2.79Å; Y216-G218 WeakPolarHBondContact CE2-O 3.33Å; Y216-G218 VanDerWaalsContact CZ-C 3.49Å; Y216-G218 VanDerWaalsContact CZ-CA 3.42Å; Y216-G219 WeakPolarHBondContact CE2-O 2.98Å; Y216-G219 PolarHBondContact OH-N 2.85Å; Y216-G219 PolarHBondContact OH-O 3.05Å; Y216-Y221 AromaticContact CD2-CD2 3.67Å; Y216-Y221 HydrophobicContact CD2-CD2 3.67Å; Y216-Y221 HydrophobicContact CD2-CG 4.45Å; Y216-Y221 HydrophobicContact CE2-CD2 4.33Å; Y216-Y221 HydrophobicContact CG-CD2 4.32Å; Y216-W260 AromaticContact CD1-CH2 3.92Å; Y216-W260 HydrophobicContact CD1-CH2 3.92Å; Y216-W260 AromaticContact CD1-CZ2 3.99Å; Y216-W260 HydrophobicContact CD1-CZ2 3.99Å; Y216-W260 HydrophobicContact CD1-CZ3 4.42Å; Y216-W260 HydrophobicContact CG-CZ2 4.44Å; Y216-E262 HydrophobicContact CE1-CG 4.28Å; Y216-E262 PolarHBondContact OH-OE1 3.32Å; Y216-F266 HydrophobicContact CD1-CB 3.83Å; Y216-F266 HydrophobicContact CE1-CB 3.29Å; Y216-R267 PolarHBondContact OH-N 3.25Å
217	T	98.1	Very high	98.2	Very high	123 Å²	123	62.4 Å²	62.4	76%	0.755	34%	0.343	S	S	*	.			trans	-121.9	-14.9	178	55.5	0	0	0	0	113.9	A215	A215-T217 PolarHBondContact O-N 3.35Å
218	G	98.2	Very high	98.1	Very high	36 Å²	36	64.1 Å²	64.1	37%	0.371	36%	0.355	S	S	.	.	S	Bend	trans	160	171	179.7	0	0	0	0	0	113.8	Y216	Y216-G218 WeakPolarHBondContact CE2-O 3.33Å; Y216-G218 VanDerWaalsContact CZ-C 3.49Å; Y216-G218 VanDerWaalsContact CZ-CA 3.42Å
219	G	98.2	Very high	98	Very high	29 Å²	29	70.4 Å²	70.4	30%	0.299	39%	0.386	S	S	.	.	S	Bend	trans	90.7	-177.1	-179.1	0	0	0	0	0	113.1	Y216 Y221 E262	Y216-G219 WeakPolarHBondContact CE2-O 2.98Å; Y216-G219 PolarHBondContact OH-N 2.85Å; Y216-G219 PolarHBondContact OH-O 3.05Å; G219-Y221 PolarHBondContact O-N 2.84Å; G219-E262 PolarHBondContact N-OE1 3.29Å
220	I	98.7	Very high	98	Very high	43 Å²	43	72.4 Å²	72.4	22%	0.221	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	107.1	177.8	-61.5	164.5	0	0	0	108.8	D242 I247 Y249 R267 V269	I220-D242 HydrophobicContact CD1-CB 3.62Å; I220-I247 HydrophobicContact CD1-CB 4.44Å; I220-I247 HydrophobicContact CD1-CG2 4.38Å; I220-I247 HydrophobicContact CG2-CG2 4Å; I220-Y249 HydrophobicContact CD1-CD1 3.39Å; I220-Y249 HydrophobicContact CD1-CE1 3.9Å; I220-Y249 HydrophobicContact CD1-CG 4.21Å; I220-Y249 HydrophobicContact CG1-CD1 3.74Å; I220-Y249 HydrophobicContact CG1-CE1 4.34Å; I220-Y249 HydrophobicContact CG1-CG 4.08Å; I220-R267 HydrophobicContact CG1-CB 4.26Å; I220-V269 HydrophobicContact CG2-CG1 3.7Å
221	Y	98.8	Very high	98	Very high	25 Å²	25	76.4 Å²	76.4	10%	0.098	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	138.7	-179.1	-167.8	-86.4	0	0	0	111.8	N212 F213 Y216 G219 E223 R267 I268 V269 L283	N212-Y221 WeakPolarHBondContact CB-OH 3.38Å; F213-Y221 WeakPolarHBondContact CA-OH 3.12Å; F213-Y221 HydrophobicContact CB-CE2 4.34Å; F213-Y221 HydrophobicContact CD2-CD1 4.25Å; F213-Y221 HydrophobicContact CD2-CD2 4.32Å; F213-Y221 HydrophobicContact CD2-CE1 4.09Å; F213-Y221 HydrophobicContact CD2-CE2 4.12Å; F213-Y221 HydrophobicContact CD2-CG 4.36Å; F213-Y221 AromaticContact CD2-CZ 3.99Å; F213-Y221 PolarHBondContact N-OH 3.2Å; F213-Y221 VanDerWaalsContact N-OH 3.12Å; Y216-Y221 AromaticContact CD2-CD2 3.67Å; Y216-Y221 HydrophobicContact CD2-CD2 3.67Å; Y216-Y221 HydrophobicContact CD2-CG 4.45Å; Y216-Y221 HydrophobicContact CE2-CD2 4.33Å; Y216-Y221 HydrophobicContact CG-CD2 4.32Å; G219-Y221 PolarHBondContact O-N 2.84Å; Y221-E223 HydrophobicContact CE1-CB 3.54Å; Y221-E223 PolarHBondContact OH-OE2 3.12Å; Y221-R267 WeakPolarHBondContact CB-O 3.42Å; Y221-R267 PolarHBondContact N-O 2.88Å; Y221-I268 HydrophobicContact CD1-CD1 3.87Å; Y221-I268 HydrophobicContact CD1-CG1 4.09Å; Y221-I268 WeakPolarHBondContact O-CA 3.29Å; Y221-I268 WeakPolarHBondContact O-CG1 3.39Å; Y221-V269 PolarHBondContact O-N 2.75Å; Y221-L283 HydrophobicContact CD1-CD1 4.24Å; Y221-L283 HydrophobicContact CE1-CD1 3.56Å; Y221-L283 HydrophobicContact CE1-CG 4.13Å
222	A	98.6	Very high	98	Very high	46 Å²	46	70.5 Å²	70.5	38%	0.38	38%	0.384	S	S	.	.			trans	-153.2	125.7	169.6	0	0	0	0	0	109.6	V269 F273	A222-V269 HydrophobicContact CB-CG1 3.86Å; A222-V269 HydrophobicContact CB-CG2 3.84Å; A222-F273 HydrophobicContact CB-CE1 3.95Å; A222-F273 HydrophobicContact CB-CZ 4.26Å
223	E	98.5	Very high	98	Very high	29 Å²	29	66.2 Å²	66.2	14%	0.136	36%	0.362	C	S	.	.			trans	-135.2	123.9	177.6	-177.5	-179.1	-167.4	0	0	110.7	T210 N212 Y221 R225 Y281 L283	T210-E223 WeakPolarHBondContact CB-OE2 3.27Å; T210-E223 WeakPolarHBondContact CG2-OE2 3.49Å; T210-E223 PolarHBondContact OG1-OE2 3.46Å; N212-E223 PolarHBondContact ND2-OE1 3.06Å; Y221-E223 HydrophobicContact CE1-CB 3.54Å; Y221-E223 PolarHBondContact OH-OE2 3.12Å; E223-R225 HydrophobicContact CG-CG 4.13Å; E223-R225 PolarHBondContact O-N 2.85Å; E223-Y281 PolarHBondContact N-O 3.31Å; E223-Y281 CarbonylContact O-C 3.58Å; E223-Y281 VanDerWaalsContact O-CA 3.24Å; E223-Y281 WeakPolarHBondContact O-CA 3.48Å; E223-L283 HydrophobicContact CB-CD2 4.14Å
224	L	98.4	Very high	98	Very high	96 Å²	96	66.2 Å²	66.2	50%	0.503	36%	0.362	S	S	.	.			trans	-66.9	107.6	179.3	179.4	61.6	0	0	0	111.4	K226 N280 Y281	L224-K226 HydrophobicContact CD1-CG 4.44Å; L224-N280 CarbonylContact C-O 3.53Å; L224-N280 VanDerWaalsContact CA-O 3.32Å; L224-N280 WeakPolarHBondContact CA-O 3.46Å; L224-N280 HydrophobicContact CD1-CB 4Å; L224-Y281 HydrophobicContact CB-CD1 4.15Å; L224-Y281 HydrophobicContact CB-CE1 3.73Å; L224-Y281 HydrophobicContact CD1-CD1 4.48Å; L224-Y281 HydrophobicContact CD1-CE1 3.87Å; L224-Y281 HydrophobicContact CD1-CE2 4.26Å; L224-Y281 HydrophobicContact CG-CE1 4.31Å
225	R	97.8	Very high	98.1	Very high	94 Å²	94	61 Å²	61	36%	0.355	34%	0.337	S	S	.	.			trans	-135.3	105.5	173.3	-59.8	-68.7	-72.2	175.5	-6.4	108.2	E208 E223 P228 N280 L283	E208-R225 IonicContact OE1-CZ 2.73Å; E208-R225 IonicContact OE1-NE 2.7Å; E208-R225 IonicContact OE1-NH2 3.5Å; E208-R225 PolarHBondContact OE1-NH2 2.87Å; E208-R225 IonicContact OE2-CZ 3.71Å; E208-R225 IonicContact OE2-NE 3.53Å; E208-R225 PolarHBondContact OE2-NE 3.07Å; E208-R225 IonicContact OE2-NH2 2.98Å; E223-R225 HydrophobicContact CG-CG 4.13Å; E223-R225 PolarHBondContact O-N 2.85Å; R225-P228 HydrophobicContact CB-CB 4.16Å; R225-P228 WeakPolarHBondContact O-CD 3.23Å; R225-N280 CarbonylContact C-O 3.39Å; R225-N280 PolarHBondContact N-O 3.02Å; R225-N280 WeakPolarHBondContact O-CA 3.44Å; R225-L283 HydrophobicContact CB-CD2 4.34Å; R225-L283 HydrophobicContact CG-CD2 3.6Å
226	K	95	Very high	98.1	Very high	146 Å²	146	57.5 Å²	57.5	64%	0.635	31%	0.308	S	S	*	.	S	Bend	trans	-73.8	-27.6	179.8	-69	-176.3	178.6	-179.8	0	113.4	L224 P228	L224-K226 HydrophobicContact CD1-CG 4.44Å; K226-P228 VanDerWaalsContact C-CD 3.44Å
227	H	96.5	Very high	98.1	Very high	167 Å²	167	56.8 Å²	56.8	77%	0.773	31%	0.305	S	S	*	.	S	Bend	trans	-132	64.7	-178.8	-56.4	-56.2	0	0	0	109.4
228	P	97.1	Very high	98.2	Very high	36 Å²	36	51 Å²	51	23%	0.234	27%	0.27	C	S	.	.			trans	-65.1	139.6	-179.9	28.7	-35.1	0	0	0	110.7	E208 R225 K226 A284	E208-P228 HydrophobicContact CB-CB 4.13Å; E208-P228 WeakPolarHBondContact OE2-CA 3.15Å; E208-P228 WeakPolarHBondContact OE2-CB 3.34Å; R225-P228 HydrophobicContact CB-CB 4.16Å; R225-P228 WeakPolarHBondContact O-CD 3.23Å; K226-P228 VanDerWaalsContact C-CD 3.44Å; P228-A284 HydrophobicContact CB-CB 3.97Å; P228-A284 HydrophobicContact CG-CB 3.64Å
229	M	97.5	Very high	98.2	Very high	139 Å²	139	49.3 Å²	49.3	69%	0.685	25%	0.252	S	S	*	.			trans	-108	111.8	173.4	-65.7	-170	-59.4	0	0	109.8	E208 N231	E208-M229 WeakPolarHBondContact CA-O 3.47Å; E208-M229 VanDerWaalsContact CB-O 3.27Å; E208-M229 WeakPolarHBondContact CB-O 3.4Å; E208-M229 VanDerWaalsContact CG-O 3.31Å; E208-M229 WeakPolarHBondContact CG-O 3.47Å; E208-M229 PolarHBondContact OE1-N 3.48Å; M229-N231 PolarHBondContact O-N 3.26Å
230	I	98.2	Very high	98.2	Very high	61 Å²	61	48 Å²	48	31%	0.313	24%	0.238	S	C	.	.			trans	-60.9	123.9	175.4	-69.2	164.5	0	0	0	109.2	A284 K287 M288	I230-A284 HydrophobicContact CD1-CB 4.08Å; I230-A284 HydrophobicContact CG1-CB 3.84Å; I230-K287 HydrophobicContact CD1-CB 4.42Å; I230-M288 HydrophobicContact CD1-CB 3.84Å; I230-M288 HydrophobicContact CD1-CE 4.25Å; I230-M288 HydrophobicContact CG2-CE 3.74Å
231	N	98	Very high	98.2	Very high	100 Å²	100	48 Å²	48	54%	0.535	24%	0.239	S	C	.	.			trans	-136.1	2.2	179.9	64.9	5.7	0	0	0	112.4	I207 V209 M229	I207-N231 PolarHBondContact O-N 3.38Å; I207-N231 VanDerWaalsContact O-N 3.1Å; I207-N231 PolarHBondContact O-OD1 3.48Å; V209-N231 WeakPolarHBondContact CB-OD1 3.25Å; V209-N231 PolarHBondContact N-OD1 2.76Å; V209-N231 PolarHBondContact O-ND2 2.94Å; M229-N231 PolarHBondContact O-N 3.26Å
232	H	98.7	Very high	98.1	Very high	11 Å²	11	48.8 Å²	48.8	5%	0.051	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	158.7	-176	-167.7	55.7	0	0	0	111.4	Q74 C83 G206 I207 V209 N254 W256	Q74-H232 PolarHBondContact OE1-CE1 3Å; C83-H232 WeakPolarHBondContact CB-CE1 3.41Å; C83-H232 WeakPolarHBondContact CB-ND1 3.11Å; C83-H232 PolarHBondContact SG-ND1 3.19Å; G206-H232 CarbonylContact C-O 3.59Å; G206-H232 VanDerWaalsContact CA-O 3.29Å; G206-H232 WeakPolarHBondContact CA-O 3.24Å; I207-H232 HydrophobicContact CG2-CB 3.97Å; I207-H232 PolarHBondContact N-O 3.02Å; I207-H232 PolarHBondContact O-N 3.12Å; I207-H232 VanDerWaalsContact O-N 3.08Å; V209-H232 HydrophobicContact CB-CB 4.25Å; V209-H232 HydrophobicContact CG2-CB 3.36Å; V209-H232 VanDerWaalsContact CG2-CD2 3.48Å; V209-H232 WeakPolarHBondContact CG2-CD2 3.21Å; H232-N254 PolarHBondContact NE2-OD1 2.83Å; H232-W256 AromaticContact CE1-NE1 3.65Å; H232-W256 AromaticContact NE2-CE2 3.88Å; H232-W256 AromaticContact NE2-CZ2 3.71Å; H232-W256 AromaticContact NE2-NE1 3.85Å
233	V	98.8	Very high	98	Very high	11 Å²	11	53.7 Å²	53.7	7%	0.067	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	133.8	178.1	177.4	0	0	0	0	110.3	C83 W84 M128 A204 C205	C83-V233 HydrophobicContact CB-CB 4.44Å; W84-V233 HydrophobicContact CB-CG2 4.4Å; M128-V233 HydrophobicContact CB-CG1 4.12Å; M128-V233 HydrophobicContact SD-CG1 3.71Å; M128-V233 HydrophobicContact SD-CG2 4.15Å; A204-V233 HydrophobicContact CB-CG1 4.33Å; C205-V233 CarbonylContact O-C 3.48Å; C205-V233 WeakPolarHBondContact O-CA 3.28Å
234	I	98.9	Very high	97.8	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	178.7	-178.8	57.9	72.7	0	0	0	110.6	A204 C205 I207 I236 A252 R253 F266 I285	A204-I234 CarbonylContact C-O 3.57Å; A204-I234 VanDerWaalsContact CA-O 3.27Å; A204-I234 WeakPolarHBondContact CA-O 2.95Å; C205-I234 HydrophobicContact CB-CD1 3.78Å; C205-I234 PolarHBondContact N-O 3.5Å; C205-I234 PolarHBondContact O-N 2.87Å; I207-I234 HydrophobicContact CB-CG1 4.43Å; I207-I234 HydrophobicContact CG2-CG1 4.15Å; I207-I234 HydrophobicContact CG2-CG2 3.97Å; I234-I236 HydrophobicContact CD1-CD1 4.38Å; I234-I236 HydrophobicContact CD1-CG1 3.5Å; I234-A252 HydrophobicContact CD1-CB 4.05Å; I234-R253 WeakPolarHBondContact CB-O 3.33Å; I234-F266 HydrophobicContact CB-CE1 4.41Å; I234-F266 HydrophobicContact CG1-CZ 4.19Å; I234-F266 HydrophobicContact CG2-CE1 4.17Å; I234-F266 HydrophobicContact CG2-CZ 4.39Å; I234-I285 HydrophobicContact CD1-CD1 3.98Å; I234-I285 HydrophobicContact CD1-CG1 4.17Å; I234-I285 HydrophobicContact CG1-CD1 4.39Å
235	S	98.9	Very high	97.7	Very high	1 Å²	1	60.2 Å²	60.2	1%	0.007	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	120.9	171.1	170.2	0	0	0	0	111.3	I203 A252 R253	I203-S235 CarbonylContact O-C 3.27Å; I203-S235 VanDerWaalsContact O-CA 3.27Å; I203-S235 WeakPolarHBondContact O-CA 3.29Å; S235-A252 CarbonylContact O-C 3.5Å; S235-A252 WeakPolarHBondContact O-CA 3.36Å; S235-R253 PolarHBondContact N-O 3.45Å; S235-R253 VanDerWaalsContact N-O 3.07Å; S235-R253 PolarHBondContact O-N 3.4Å
236	I	98.9	Very high	97.7	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	122.8	173.8	-52.1	-177.1	0	0	0	109.5	M193 I197 P202 I203 C205 I234 W250 I251 A252 I285	M193-I236 HydrophobicContact CE-CD1 3.41Å; M193-I236 VanDerWaalsContact CE-CD1 3.41Å; I197-I236 HydrophobicContact CD1-CB 4.11Å; I197-I236 HydrophobicContact CD1-CG2 3.65Å; P202-I236 CarbonylContact C-O 3.52Å; P202-I236 WeakPolarHBondContact CA-O 3.32Å; P202-I236 WeakPolarHBondContact CB-O 3.19Å; I203-I236 HydrophobicContact CG1-CB 4.13Å; I203-I236 PolarHBondContact N-O 2.79Å; I203-I236 PolarHBondContact O-N 3.11Å; C205-I236 HydrophobicContact CB-CD1 4.09Å; C205-I236 HydrophobicContact CB-CG1 4.21Å; C205-I236 WeakPolarHBondContact SG-CD1 3.48Å; I234-I236 HydrophobicContact CD1-CD1 4.38Å; I234-I236 HydrophobicContact CD1-CG1 3.5Å; I236-W250 HydrophobicContact CD1-CD2 4.46Å; I236-W250 HydrophobicContact CD1-CG 4.45Å; I236-W250 HydrophobicContact CG2-CB 4.23Å; I236-W250 HydrophobicContact CG2-CD2 4.24Å; I236-W250 HydrophobicContact CG2-CE3 3.69Å; I236-W250 HydrophobicContact CG2-CG 4.5Å; I236-W250 HydrophobicContact CG2-CZ3 4.39Å; I236-I251 WeakPolarHBondContact CG2-O 3.25Å; I236-A252 HydrophobicContact CG1-CB 4.31Å; I236-I285 HydrophobicContact CD1-CD1 3.95Å; I236-I285 HydrophobicContact CD1-CG1 3.92Å; I236-I285 HydrophobicContact CG1-CD1 4.23Å
237	V	98.9	Very high	97.8	Very high	0 Å²	0	59 Å²	59	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	-8.9	-173.5	-58.3	0	0	0	0	113.7	W59 P202 I251 F265	W59-V237 VanDerWaalsContact CD1-O 3.32Å; W59-V237 PolarHBondContact N-O 3.17Å; P202-V237 HydrophobicContact CB-CB 4.4Å; P202-V237 HydrophobicContact CB-CG1 3.99Å; P202-V237 HydrophobicContact CG-CB 4.07Å; P202-V237 HydrophobicContact CG-CG1 3.91Å; V237-I251 HydrophobicContact CG2-CB 4.08Å; V237-I251 HydrophobicContact CG2-CG2 3.64Å; V237-I251 WeakPolarHBondContact CG2-O 3.18Å; V237-I251 PolarHBondContact N-O 3.01Å; V237-F265 HydrophobicContact CG1-CE1 4.26Å; V237-F265 HydrophobicContact CG2-CD1 4.4Å; V237-F265 HydrophobicContact CG2-CE1 4.07Å
238	G	98.8	Very high	97.9	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	169.6	-170	-170.6	0	0	0	0	0	113.5	W57 I251	W57-G238 CarbonylContact O-C 3.48Å; W57-G238 WeakPolarHBondContact O-CA 3.46Å; G238-I251 PolarHBondContact N-O 3.28Å; G238-I251 PolarHBondContact O-N 3.31Å
239	W	98.9	Very high	98	Very high	2 Å²	2	51.6 Å²	51.6	1%	0.008	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	164	175.5	64.6	93.4	0	0	0	110.1	L53 P54 K55 E56 W57 M194 I197 Y249 W250	L53-W239 HydrophobicContact CD2-CH2 4.49Å; P54-W239 HydrophobicContact CG-CZ2 4.04Å; P54-W239 WeakPolarHBondContact O-CZ2 3.35Å; P54-W239 PolarHBondContact O-NE1 3.39Å; P54-W239 VanDerWaalsContact O-NE1 3.11Å; K55-W239 PolarHBondContact O-NE1 2.78Å; K55-W239 VanDerWaalsContact O-NE1 3.07Å; E56-W239 WeakPolarHBondContact CA-O 3.3Å; W57-W239 HydrophobicContact CB-CD2 4.09Å; W57-W239 HydrophobicContact CB-CE3 4.06Å; W57-W239 HydrophobicContact CB-CH2 3.94Å; W57-W239 HydrophobicContact CB-CZ2 3.86Å; W57-W239 HydrophobicContact CB-CZ3 3.98Å; W57-W239 HydrophobicContact CG-CH2 4.49Å; W57-W239 PolarHBondContact N-O 2.83Å; W57-W239 PolarHBondContact O-N 2.67Å; M194-W239 HydrophobicContact CB-CE3 4.41Å; M194-W239 HydrophobicContact CB-CH2 3.75Å; M194-W239 HydrophobicContact CB-CZ2 4.23Å; M194-W239 HydrophobicContact CB-CZ3 3.91Å; M194-W239 HydrophobicContact CE-CD2 3.89Å; M194-W239 HydrophobicContact CE-CG 4.09Å; M194-W239 HydrophobicContact CE-CH2 4.36Å; M194-W239 HydrophobicContact CE-CZ2 3.62Å; M194-W239 VanDerWaalsContact CE-NE1 3.27Å; M194-W239 HydrophobicContact CG-CD2 4.26Å; M194-W239 HydrophobicContact CG-CE3 4.21Å; M194-W239 HydrophobicContact CG-CH2 4.25Å; M194-W239 HydrophobicContact CG-CZ2 4.41Å; M194-W239 HydrophobicContact CG-CZ3 4.21Å; M194-W239 VanDerWaalsContact O-CH2 3.28Å; M194-W239 WeakPolarHBondContact O-CH2 3.16Å; M194-W239 WeakPolarHBondContact O-CZ3 3.49Å; I197-W239 HydrophobicContact CB-CZ3 4.05Å; I197-W239 HydrophobicContact CG2-CE3 4.39Å; I197-W239 HydrophobicContact CG2-CZ3 3.95Å; W239-Y249 CarbonylContact C-O 3.52Å; W239-Y249 WeakPolarHBondContact CA-O 3.18Å; W239-Y249 WeakPolarHBondContact CB-O 3.45Å; W239-W250 HydrophobicContact CB-CE3 3.93Å; W239-W250 HydrophobicContact CB-CZ3 4.21Å; W239-W250 HydrophobicContact CE3-CZ3 4.1Å
240	G	98.5	Very high	98.1	Very high	1 Å²	1	45 Å²	45	1%	0.01	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	176.6	172	0	0	0	0	0	111.9	E248 Y249	G240-E248 WeakPolarHBondContact O-CA 3.15Å; G240-E248 WeakPolarHBondContact O-CG 3.26Å; G240-Y249 PolarHBondContact N-O 2.93Å; G240-Y249 PolarHBondContact O-N 3.18Å
241	I	98.3	Very high	98.1	Very high	44 Å²	44	43.2 Å²	43.2	23%	0.226	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	133.1	171.2	-60.2	177	0	0	0	106.4	K55 D243 E248	K55-I241 HydrophobicContact CB-CD1 4.14Å; K55-I241 HydrophobicContact CD-CD1 4.47Å; K55-I241 HydrophobicContact CG-CD1 4.42Å; I241-D243 PolarHBondContact O-N 3.32Å; I241-E248 HydrophobicContact CG1-CB 4.21Å; I241-E248 HydrophobicContact CG1-CG 4.13Å
242	D	97.7	Very high	98.1	Very high	41 Å²	41	38.5 Å²	38.5	22%	0.219	19%	0.194	C	C	.	.			trans	-72.8	122.3	171.6	-174.1	-98.8	0	0	0	110	I220 E244 T245 E246 I247 Y249	I220-D242 HydrophobicContact CD1-CB 3.62Å; D242-E244 PolarHBondContact O-N 3.4Å; D242-E244 PolarHBondContact OD1-N 3.06Å; D242-T245 VanDerWaalsContact CB-OG1 3.29Å; D242-T245 WeakPolarHBondContact CB-OG1 3.22Å; D242-T245 VanDerWaalsContact CG-OG1 3.25Å; D242-T245 WeakPolarHBondContact OD1-CB 3.48Å; D242-T245 WeakPolarHBondContact OD1-CG2 3.35Å; D242-T245 PolarHBondContact OD1-N 3.24Å; D242-T245 PolarHBondContact OD1-OG1 3.46Å; D242-E246 WeakPolarHBondContact O-CA 3.11Å; D242-E246 PolarHBondContact O-N 3.4Å; D242-I247 PolarHBondContact N-O 2.61Å; D242-Y249 HydrophobicContact CB-CE1 4.45Å
243	D	94.8	Very high	98.1	Very high	149 Å²	149	38.1 Å²	38.1	80%	0.797	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-27.4	-174.9	-75.7	-36.5	0	0	0	113.4	I241	I241-D243 PolarHBondContact O-N 3.32Å
244	E	96	Very high	98.1	Very high	184 Å²	184	37.8 Å²	37.8	86%	0.86	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-43.1	-176.7	-63	-175	177.6	0	0	112.2	D242	D242-E244 PolarHBondContact O-N 3.4Å; D242-E244 PolarHBondContact OD1-N 3.06Å
245	T	96.3	Very high	98.1	Very high	78 Å²	78	38 Å²	38	48%	0.479	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.9	-9.7	-174.1	62.5	0	0	0	0	113.7	D242 I247	D242-T245 VanDerWaalsContact CB-OG1 3.29Å; D242-T245 WeakPolarHBondContact CB-OG1 3.22Å; D242-T245 VanDerWaalsContact CG-OG1 3.25Å; D242-T245 WeakPolarHBondContact OD1-CB 3.48Å; D242-T245 WeakPolarHBondContact OD1-CG2 3.35Å; D242-T245 PolarHBondContact OD1-N 3.24Å; D242-T245 PolarHBondContact OD1-OG1 3.46Å; T245-I247 HydrophobicContact CG2-CD1 4.42Å; T245-I247 PolarHBondContact O-N 2.93Å; T245-I247 VanDerWaalsContact O-N 3.12Å; T245-I247 WeakPolarHBondContact OG1-CB 3.44Å; T245-I247 WeakPolarHBondContact OG1-CD1 3.29Å; T245-I247 WeakPolarHBondContact OG1-CG1 3.37Å; T245-I247 PolarHBondContact OG1-N 3.3Å
246	E	96.1	Very high	98.1	Very high	168 Å²	168	39.3 Å²	39.3	79%	0.785	20%	0.196	S	C	*	.			trans	55.5	19.7	-171	-56.9	-171	139.6	0	0	113.5	D242 E248	D242-E246 WeakPolarHBondContact O-CA 3.11Å; D242-E246 PolarHBondContact O-N 3.4Å; E246-E248 PolarHBondContact O-N 2.93Å
247	I	98.3	Very high	98.1	Very high	46 Å²	46	39.7 Å²	39.7	24%	0.236	20%	0.2	C	C	.	.			trans	-80.3	119.8	179.5	-65.2	170.7	0	0	0	108.9	I220 D242 T245 V269 F273	I220-I247 HydrophobicContact CD1-CB 4.44Å; I220-I247 HydrophobicContact CD1-CG2 4.38Å; I220-I247 HydrophobicContact CG2-CG2 4Å; D242-I247 PolarHBondContact N-O 2.61Å; T245-I247 HydrophobicContact CG2-CD1 4.42Å; T245-I247 PolarHBondContact O-N 2.93Å; T245-I247 VanDerWaalsContact O-N 3.12Å; T245-I247 WeakPolarHBondContact OG1-CB 3.44Å; T245-I247 WeakPolarHBondContact OG1-CD1 3.29Å; T245-I247 WeakPolarHBondContact OG1-CG1 3.37Å; T245-I247 PolarHBondContact OG1-N 3.3Å; I247-V269 HydrophobicContact CG2-CG1 3.9Å; I247-F273 HydrophobicContact CD1-CE2 3.96Å; I247-F273 HydrophobicContact CG1-CD2 4.45Å; I247-F273 HydrophobicContact CG1-CE2 4.34Å; I247-F273 HydrophobicContact CG2-CD2 4.12Å; I247-F273 HydrophobicContact CG2-CE2 4.45Å
248	E	98.5	Very high	98	Very high	19 Å²	19	43 Å²	43	9%	0.089	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	138.7	169.8	-167.8	-171.6	62.7	0	0	111.4	R190 G240 I241 E246 T270	R190-E248 IonicContact CZ-OE1 3.37Å; R190-E248 IonicContact CZ-OE2 2.99Å; R190-E248 IonicContact NE-OE1 2.6Å; R190-E248 PolarHBondContact NE-OE1 3.09Å; R190-E248 IonicContact NE-OE2 3.92Å; R190-E248 VanDerWaalsContact NH2-CD 3.33Å; R190-E248 IonicContact NH2-OE1 2.94Å; R190-E248 PolarHBondContact NH2-OE1 2.78Å; R190-E248 IonicContact NH2-OE2 2.84Å; R190-E248 PolarHBondContact NH2-OE2 2.04Å; G240-E248 WeakPolarHBondContact O-CA 3.15Å; G240-E248 WeakPolarHBondContact O-CG 3.26Å; I241-E248 HydrophobicContact CG1-CB 4.21Å; I241-E248 HydrophobicContact CG1-CG 4.13Å; E246-E248 PolarHBondContact O-N 2.93Å; E248-T270 HydrophobicContact CB-CG2 4.24Å; E248-T270 HydrophobicContact CG-CG2 3.77Å; E248-T270 PolarHBondContact O-N 2.95Å; E248-T270 WeakPolarHBondContact OE1-CB 3.47Å; E248-T270 WeakPolarHBondContact OE1-CG2 3.48Å; E248-T270 PolarHBondContact OE1-OG1 3.08Å
249	Y	98.9	Very high	98	Very high	29 Å²	29	48.8 Å²	48.8	11%	0.114	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	150.3	179.3	58.7	-96	0	0	0	112.3	I220 W239 G240 D242 I251 R267 I268	I220-Y249 HydrophobicContact CD1-CD1 3.39Å; I220-Y249 HydrophobicContact CD1-CE1 3.9Å; I220-Y249 HydrophobicContact CD1-CG 4.21Å; I220-Y249 HydrophobicContact CG1-CD1 3.74Å; I220-Y249 HydrophobicContact CG1-CE1 4.34Å; I220-Y249 HydrophobicContact CG1-CG 4.08Å; W239-Y249 CarbonylContact C-O 3.52Å; W239-Y249 WeakPolarHBondContact CA-O 3.18Å; W239-Y249 WeakPolarHBondContact CB-O 3.45Å; G240-Y249 PolarHBondContact N-O 2.93Å; G240-Y249 PolarHBondContact O-N 3.18Å; D242-Y249 HydrophobicContact CB-CE1 4.45Å; Y249-I251 HydrophobicContact CD2-CG1 3.99Å; Y249-I251 HydrophobicContact CE2-CD1 4.17Å; Y249-I251 HydrophobicContact CE2-CG1 3.67Å; Y249-R267 HydrophobicContact CD2-CB 3.76Å; Y249-R267 HydrophobicContact CD2-CG 3.59Å; Y249-R267 HydrophobicContact CE2-CB 4.36Å; Y249-R267 HydrophobicContact CE2-CG 3.72Å; Y249-R267 HydrophobicContact CG-CB 4.1Å; Y249-R267 HydrophobicContact CG-CG 4.36Å; Y249-I268 CarbonylContact C-O 3.52Å; Y249-I268 WeakPolarHBondContact CA-O 3.21Å; Y249-I268 WeakPolarHBondContact CB-O 3.32Å
250	W	98.9	Very high	98	Very high	1 Å²	1	50.1 Å²	50.1	0%	0.004	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	146.3	162.9	-64.4	113	0	0	0	110.8	R190 M193 M194 I197 I236 W239 R267 I268 T270 E286	R190-W250 HydrophobicContact CB-CZ2 4.08Å; R190-W250 HydrophobicContact CG-CH2 4.33Å; R190-W250 HydrophobicContact CG-CZ2 3.87Å; M193-W250 HydrophobicContact CB-CH2 3.86Å; M193-W250 HydrophobicContact CB-CZ2 4.4Å; M193-W250 HydrophobicContact CE-CH2 4.3Å; M193-W250 HydrophobicContact CE-CZ2 4.03Å; M194-W250 HydrophobicContact CB-CH2 4.45Å; M194-W250 HydrophobicContact CG-CH2 3.47Å; M194-W250 VanDerWaalsContact CG-CH2 3.47Å; M194-W250 HydrophobicContact CG-CZ2 4.46Å; M194-W250 HydrophobicContact CG-CZ3 3.88Å; I197-W250 HydrophobicContact CD1-CE3 4.44Å; I197-W250 HydrophobicContact CD1-CZ3 3.91Å; I236-W250 HydrophobicContact CD1-CD2 4.46Å; I236-W250 HydrophobicContact CD1-CG 4.45Å; I236-W250 HydrophobicContact CG2-CB 4.23Å; I236-W250 HydrophobicContact CG2-CD2 4.24Å; I236-W250 HydrophobicContact CG2-CE3 3.69Å; I236-W250 HydrophobicContact CG2-CG 4.5Å; I236-W250 HydrophobicContact CG2-CZ3 4.39Å; W239-W250 HydrophobicContact CB-CE3 3.93Å; W239-W250 HydrophobicContact CB-CZ3 4.21Å; W239-W250 HydrophobicContact CE3-CZ3 4.1Å; W250-R267 VanDerWaalsContact O-CA 3.26Å; W250-R267 WeakPolarHBondContact O-CA 3.26Å; W250-I268 HydrophobicContact CB-CG2 3.98Å; W250-I268 PolarHBondContact N-O 3.01Å; W250-I268 PolarHBondContact O-N 2.98Å; W250-T270 HydrophobicContact CD2-CG2 4.13Å; W250-T270 HydrophobicContact CG-CG2 4.09Å; W250-T270 HydrophobicContact CZ2-CG2 4.42Å; W250-E286 HydrophobicContact CZ2-CG 4.28Å; W250-E286 PolarHBondContact NE1-OE1 3.07Å
251	I	98.9	Very high	98	Very high	23 Å²	23	50.8 Å²	50.8	12%	0.118	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	115.6	168.2	-55.8	166.9	0	0	0	106.9	N58 I236 V237 G238 Y249 F265	N58-I251 HydrophobicContact CB-CD1 4.02Å; I236-I251 WeakPolarHBondContact CG2-O 3.25Å; V237-I251 HydrophobicContact CG2-CB 4.08Å; V237-I251 HydrophobicContact CG2-CG2 3.64Å; V237-I251 WeakPolarHBondContact CG2-O 3.18Å; V237-I251 PolarHBondContact N-O 3.01Å; G238-I251 PolarHBondContact N-O 3.28Å; G238-I251 PolarHBondContact O-N 3.31Å; Y249-I251 HydrophobicContact CD2-CG1 3.99Å; Y249-I251 HydrophobicContact CE2-CD1 4.17Å; Y249-I251 HydrophobicContact CE2-CG1 3.67Å; I251-F265 HydrophobicContact CG2-CD1 4.45Å
252	A	98.9	Very high	98	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	140.7	-174.2	0	0	0	0	0	112	I234 S235 I236 F265 F266 I285	I234-A252 HydrophobicContact CD1-CB 4.05Å; S235-A252 CarbonylContact O-C 3.5Å; S235-A252 WeakPolarHBondContact O-CA 3.36Å; I236-A252 HydrophobicContact CG1-CB 4.31Å; A252-F265 CarbonylContact O-C 3.5Å; A252-F265 WeakPolarHBondContact O-CA 3.17Å; A252-F265 WeakPolarHBondContact O-CB 3.44Å; A252-F265 WeakPolarHBondContact O-CD1 3.29Å; A252-F266 HydrophobicContact CB-CD1 3.94Å; A252-F266 HydrophobicContact CB-CD2 4.35Å; A252-F266 HydrophobicContact CB-CE1 3.35Å; A252-F266 HydrophobicContact CB-CE2 3.82Å; A252-F266 HydrophobicContact CB-CG 4.41Å; A252-F266 HydrophobicContact CB-CZ 3.29Å; A252-F266 PolarHBondContact N-O 3.11Å; A252-F266 WeakPolarHBondContact O-CD1 3.38Å; A252-F266 PolarHBondContact O-N 3.35Å; A252-I285 HydrophobicContact CB-CD1 4.38Å
253	R	98.9	Very high	98	Very high	4 Å²	4	56.6 Å²	56.6	2%	0.015	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	130	172.7	-177.4	-178.2	-61.7	141	26.9	109.3	C68 S69 D94 I234 S235 F265	C68-R253 PolarHBondContact SG-NH2 2.88Å; S69-R253 PolarHBondContact OG-NH1 2.83Å; S69-R253 VanDerWaalsContact OG-NH1 3.14Å; D94-R253 IonicContact OD1-CZ 3.81Å; D94-R253 IonicContact OD1-NH1 3.05Å; D94-R253 PolarHBondContact OD1-NH1 3.24Å; D94-R253 IonicContact OD1-NH2 3.63Å; D94-R253 IonicContact OD2-CZ 3.28Å; D94-R253 VanDerWaalsContact OD2-CZ 3.28Å; D94-R253 IonicContact OD2-NH1 3.36Å; D94-R253 PolarHBondContact OD2-NH1 2.84Å; D94-R253 IonicContact OD2-NH2 2.69Å; D94-R253 PolarHBondContact OD2-NH2 2.89Å; I234-R253 WeakPolarHBondContact CB-O 3.33Å; S235-R253 PolarHBondContact N-O 3.45Å; S235-R253 VanDerWaalsContact N-O 3.07Å; S235-R253 PolarHBondContact O-N 3.4Å; R253-F265 HydrophobicContact CB-CD1 3.78Å; R253-F265 HydrophobicContact CB-CE1 3.52Å; R253-F265 HydrophobicContact CB-CG 4.45Å; R253-F265 HydrophobicContact CB-CZ 3.97Å; R253-F265 HydrophobicContact CG-CD1 4.43Å; R253-F265 HydrophobicContact CG-CE1 4.05Å; R253-F265 HydrophobicContact CG-CE2 4.27Å; R253-F265 HydrophobicContact CG-CZ 3.97Å
254	N	98.7	Very high	98.2	Very high	4 Å²	4	49.5 Å²	49.5	2%	0.021	26%	0.259	C	S	.	.			trans	-100	177.1	168.3	-159.3	-1.9	0	0	0	110.9	H232 W256 W260 G264 F266	H232-N254 PolarHBondContact NE2-OD1 2.83Å; N254-W256 WeakPolarHBondContact ND2-CZ3 3.19Å; N254-W260 HydrophobicContact CB-CE3 3.85Å; N254-W260 HydrophobicContact CB-CH2 4.1Å; N254-W260 HydrophobicContact CB-CZ3 3.42Å; N254-W260 VanDerWaalsContact CB-CZ3 3.42Å; N254-W260 VanDerWaalsContact ND2-CH2 3.25Å; N254-W260 WeakPolarHBondContact ND2-CH2 3.3Å; N254-W260 VanDerWaalsContact ND2-CZ3 3.28Å; N254-W260 WeakPolarHBondContact ND2-CZ3 3.36Å; N254-G264 PolarHBondContact N-O 3.14Å; N254-F266 HydrophobicContact CB-CD1 4.31Å; N254-F266 HydrophobicContact CB-CE1 4.31Å
255	S	98.6	Very high	98.3	Very high	5 Å²	5	42.2 Å²	42.2	4%	0.035	23%	0.225	C	C	.	.	S	Bend	trans	-121.1	36.6	-176.2	43	0	0	0	0	112.7	R72 N73 Q74	R72-S255 CarbonylContact O-C 3.09Å; R72-S255 VanDerWaalsContact O-C 3.26Å; R72-S255 WeakPolarHBondContact O-CA 3.32Å; N73-S255 CarbonylContact C-O 3.55Å; N73-S255 VanDerWaalsContact CA-O 3.31Å; N73-S255 WeakPolarHBondContact CA-O 3.42Å; Q74-S255 PolarHBondContact N-O 3.4Å; Q74-S255 PolarHBondContact OE1-OG 2.65Å
256	W	98.7	Very high	98.4	Very high	28 Å²	28	38.5 Å²	38.5	11%	0.106	20%	0.202	C	C	.	.	B	Isolated β-bridge	trans	-113.2	17.1	-179.9	-56.1	-23.4	0	0	0	113.6	N73 H75 V209 F213 E214 H232 N254 W260	N73-W256 PolarHBondContact ND2-O 3.47Å; H75-W256 AromaticContact CE1-CD1 3.2Å; H75-W256 AromaticContact CE1-CE2 3.96Å; H75-W256 AromaticContact CE1-CG 3.9Å; H75-W256 AromaticContact CE1-NE1 3.24Å; H75-W256 PolarHBondContact CE1-NE1 3.25Å; H75-W256 AromaticContact ND1-CD1 3.66Å; H75-W256 AromaticContact NE2-CD1 3.77Å; H75-W256 AromaticContact NE2-NE1 3.61Å; V209-W256 HydrophobicContact CB-CH2 4.47Å; V209-W256 HydrophobicContact CG1-CH2 3.7Å; V209-W256 HydrophobicContact CG1-CZ2 4.09Å; V209-W256 HydrophobicContact CG2-CH2 3.86Å; V209-W256 HydrophobicContact CG2-CZ2 3.92Å; F213-W256 AromaticContact CD1-CH2 3.82Å; F213-W256 HydrophobicContact CD1-CH2 3.82Å; F213-W256 HydrophobicContact CD1-CZ3 4.1Å; F213-W256 AromaticContact CE1-CH2 3.83Å; F213-W256 HydrophobicContact CE1-CH2 3.83Å; F213-W256 HydrophobicContact CE1-CZ3 4.04Å; E214-W256 HydrophobicContact CG-CH2 4.04Å; E214-W256 HydrophobicContact CG-CZ3 4.28Å; H232-W256 AromaticContact CE1-NE1 3.65Å; H232-W256 AromaticContact NE2-CE2 3.88Å; H232-W256 AromaticContact NE2-CZ2 3.71Å; H232-W256 AromaticContact NE2-NE1 3.85Å; N254-W256 WeakPolarHBondContact ND2-CZ3 3.19Å; W256-W260 HydrophobicContact CB-CB 4.14Å; W256-W260 HydrophobicContact CB-CG 4.26Å; W256-W260 AromaticContact CE3-CD1 3.66Å; W256-W260 AromaticContact CE3-CD2 3.6Å; W256-W260 HydrophobicContact CE3-CD2 3.6Å; W256-W260 AromaticContact CE3-CE2 3.34Å; W256-W260 HydrophobicContact CE3-CE3 4.32Å; W256-W260 AromaticContact CE3-CG 3.8Å; W256-W260 HydrophobicContact CE3-CG 3.8Å; W256-W260 AromaticContact CE3-CZ2 3.85Å; W256-W260 HydrophobicContact CE3-CZ2 3.85Å; W256-W260 AromaticContact CE3-NE1 3.39Å; W256-W260 HydrophobicContact CZ3-CD2 4.16Å; W256-W260 AromaticContact CZ3-CE2 3.42Å; W256-W260 VanDerWaalsContact CZ3-CE2 3.42Å; W256-W260 HydrophobicContact CZ3-CH2 4.36Å; W256-W260 AromaticContact CZ3-CZ2 3.52Å; W256-W260 HydrophobicContact CZ3-CZ2 3.52Å; W256-W260 AromaticContact CZ3-NE1 3.49Å
257	G	98.3	Very high	98.6	Very high	7 Å²	7	33.2 Å²	33.2	7%	0.072	18%	0.175	C	C	.	.			trans	81.5	167	-179.5	0	0	0	0	0	113.8	R72 W260 G264	R72-G257 WeakPolarHBondContact O-CA 3.27Å; R72-G257 PolarHBondContact O-N 2.65Å; G257-W260 PolarHBondContact O-N 3.22Å; G257-G264 VanDerWaalsContact O-CA 3.29Å; G257-G264 WeakPolarHBondContact O-CA 3.18Å
258	S	97.9	Very high	98.6	Very high	71 Å²	71	31 Å²	31	50%	0.497	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-22.1	-178	59.4	0	0	0	0	116.5	W260 H263	S258-W260 PolarHBondContact O-N 3.37Å; S258-H263 CarbonylContact O-C 3.43Å; S258-H263 VanDerWaalsContact O-CA 3.27Å; S258-H263 WeakPolarHBondContact O-CA 3.22Å
259	P	97.8	Very high	98.6	Very high	120 Å²	120	30.2 Å²	30.2	78%	0.779	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69	-21	175.3	-23.5	36	0	0	0	114.3
260	W	98.6	Very high	98.6	Very high	31 Å²	31	28.9 Å²	28.9	12%	0.117	16%	0.155	C	C	.	.	S	Bend	trans	-86.2	141	179.7	-179.6	86.9	0	0	0	111.2	F213 E214 Y216 N254 W256 G257 S258 G264 F266	F213-W260 HydrophobicContact CD1-CZ2 4.24Å; F213-W260 AromaticContact CE1-CH2 3.85Å; F213-W260 HydrophobicContact CE1-CH2 3.85Å; F213-W260 AromaticContact CE1-CZ2 3.82Å; F213-W260 HydrophobicContact CE1-CZ2 3.82Å; F213-W260 HydrophobicContact CE2-CH2 4.31Å; F213-W260 AromaticContact CZ-CH2 3.64Å; F213-W260 HydrophobicContact CZ-CH2 3.64Å; F213-W260 HydrophobicContact CZ-CZ2 4Å; F213-W260 WeakPolarHBondContact O-CZ2 3.34Å; E214-W260 PolarHBondContact O-NE1 2.8Å; Y216-W260 AromaticContact CD1-CH2 3.92Å; Y216-W260 HydrophobicContact CD1-CH2 3.92Å; Y216-W260 AromaticContact CD1-CZ2 3.99Å; Y216-W260 HydrophobicContact CD1-CZ2 3.99Å; Y216-W260 HydrophobicContact CD1-CZ3 4.42Å; Y216-W260 HydrophobicContact CG-CZ2 4.44Å; N254-W260 HydrophobicContact CB-CE3 3.85Å; N254-W260 HydrophobicContact CB-CH2 4.1Å; N254-W260 HydrophobicContact CB-CZ3 3.42Å; N254-W260 VanDerWaalsContact CB-CZ3 3.42Å; N254-W260 VanDerWaalsContact ND2-CH2 3.25Å; N254-W260 WeakPolarHBondContact ND2-CH2 3.3Å; N254-W260 VanDerWaalsContact ND2-CZ3 3.28Å; N254-W260 WeakPolarHBondContact ND2-CZ3 3.36Å; W256-W260 HydrophobicContact CB-CB 4.14Å; W256-W260 HydrophobicContact CB-CG 4.26Å; W256-W260 AromaticContact CE3-CD1 3.66Å; W256-W260 AromaticContact CE3-CD2 3.6Å; W256-W260 HydrophobicContact CE3-CD2 3.6Å; W256-W260 AromaticContact CE3-CE2 3.34Å; W256-W260 HydrophobicContact CE3-CE3 4.32Å; W256-W260 AromaticContact CE3-CG 3.8Å; W256-W260 HydrophobicContact CE3-CG 3.8Å; W256-W260 AromaticContact CE3-CZ2 3.85Å; W256-W260 HydrophobicContact CE3-CZ2 3.85Å; W256-W260 AromaticContact CE3-NE1 3.39Å; W256-W260 HydrophobicContact CZ3-CD2 4.16Å; W256-W260 AromaticContact CZ3-CE2 3.42Å; W256-W260 VanDerWaalsContact CZ3-CE2 3.42Å; W256-W260 HydrophobicContact CZ3-CH2 4.36Å; W256-W260 AromaticContact CZ3-CZ2 3.52Å; W256-W260 HydrophobicContact CZ3-CZ2 3.52Å; W256-W260 AromaticContact CZ3-NE1 3.49Å; G257-W260 PolarHBondContact O-N 3.22Å; S258-W260 PolarHBondContact O-N 3.37Å; W260-G264 WeakPolarHBondContact O-CA 3.38Å; W260-G264 PolarHBondContact O-N 2.81Å; W260-F266 HydrophobicContact CH2-CB 3.94Å; W260-F266 AromaticContact CH2-CD1 3.86Å; W260-F266 HydrophobicContact CH2-CD1 3.86Å; W260-F266 HydrophobicContact CH2-CG 4.07Å; W260-F266 HydrophobicContact CZ3-CB 4.11Å; W260-F266 AromaticContact CZ3-CD1 3.89Å; W260-F266 HydrophobicContact CZ3-CD1 3.89Å; W260-F266 HydrophobicContact CZ3-CG 4.36Å
261	G	98.7	Very high	98.6	Very high	15 Å²	15	29.9 Å²	29.9	16%	0.155	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	55	-140.9	178.3	0	0	0	0	0	113.8	H263	G261-H263 PolarHBondContact O-N 2.8Å
262	E	98.5	Very high	98.6	Very high	52 Å²	52	32.5 Å²	32.5	24%	0.243	18%	0.176	C	C	.	.	B	Isolated β-bridge	trans	-90.6	79.1	179.1	-57.9	-177.7	166.9	0	0	109.4	Y216 G219 G264 F265 R267	Y216-E262 HydrophobicContact CE1-CG 4.28Å; Y216-E262 PolarHBondContact OH-OE1 3.32Å; G219-E262 PolarHBondContact N-OE1 3.29Å; E262-G264 VanDerWaalsContact C-N 3.29Å; E262-G264 PolarHBondContact O-N 2.95Å; E262-F265 PolarHBondContact N-O 3.02Å; E262-F265 WeakPolarHBondContact O-CB 3.32Å; E262-F265 PolarHBondContact O-N 2.68Å; E262-R267 IonicContact OE1-CZ 3.81Å; E262-R267 IonicContact OE1-NE 3.82Å; E262-R267 PolarHBondContact OE1-NE 3.44Å; E262-R267 VanDerWaalsContact OE1-NE 3.1Å; E262-R267 IonicContact OE1-NH2 3.78Å; E262-R267 PolarHBondContact OE1-NH2 3.47Å; E262-R267 IonicContact OE2-CZ 2.7Å; E262-R267 IonicContact OE2-NE 3.2Å; E262-R267 PolarHBondContact OE2-NE 3.12Å; E262-R267 IonicContact OE2-NH2 2.9Å
263	H	97.9	Very high	98.5	Very high	155 Å²	155	34.2 Å²	34.2	72%	0.718	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.1	34.2	-176.7	-57.5	-65.8	0	0	0	114.5	T71 S258 G261	T71-H263 PolarHBondContact OG1-O 3.24Å; S258-H263 CarbonylContact O-C 3.43Å; S258-H263 VanDerWaalsContact O-CA 3.27Å; S258-H263 WeakPolarHBondContact O-CA 3.22Å; G261-H263 PolarHBondContact O-N 2.8Å
264	G	98.6	Very high	98.4	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.7	3.1	-174.4	0	0	0	0	0	114	N254 G257 W260 E262	N254-G264 PolarHBondContact N-O 3.14Å; G257-G264 VanDerWaalsContact O-CA 3.29Å; G257-G264 WeakPolarHBondContact O-CA 3.18Å; W260-G264 WeakPolarHBondContact O-CA 3.38Å; W260-G264 PolarHBondContact O-N 2.81Å; E262-G264 VanDerWaalsContact C-N 3.29Å; E262-G264 PolarHBondContact O-N 2.95Å
265	F	98.8	Very high	98.2	Very high	31 Å²	31	46.6 Å²	46.6	14%	0.136	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	170.6	173.9	-67.7	-109.7	0	0	0	110.8	V237 I251 A252 R253 E262	V237-F265 HydrophobicContact CG1-CE1 4.26Å; V237-F265 HydrophobicContact CG2-CD1 4.4Å; V237-F265 HydrophobicContact CG2-CE1 4.07Å; I251-F265 HydrophobicContact CG2-CD1 4.45Å; A252-F265 CarbonylContact O-C 3.5Å; A252-F265 WeakPolarHBondContact O-CA 3.17Å; A252-F265 WeakPolarHBondContact O-CB 3.44Å; A252-F265 WeakPolarHBondContact O-CD1 3.29Å; R253-F265 HydrophobicContact CB-CD1 3.78Å; R253-F265 HydrophobicContact CB-CE1 3.52Å; R253-F265 HydrophobicContact CB-CG 4.45Å; R253-F265 HydrophobicContact CB-CZ 3.97Å; R253-F265 HydrophobicContact CG-CD1 4.43Å; R253-F265 HydrophobicContact CG-CE1 4.05Å; R253-F265 HydrophobicContact CG-CE2 4.27Å; R253-F265 HydrophobicContact CG-CZ 3.97Å; E262-F265 PolarHBondContact N-O 3.02Å; E262-F265 WeakPolarHBondContact O-CB 3.32Å; E262-F265 PolarHBondContact O-N 2.68Å
266	F	98.9	Very high	98	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	159.1	173.2	64.7	-78.7	0	0	0	110.2	I207 F213 Y216 I234 A252 N254 W260 I268 I285	I207-F266 HydrophobicContact CD1-CE2 3.97Å; I207-F266 HydrophobicContact CD1-CZ 3.93Å; F213-F266 AromaticContact CE2-CD2 3.7Å; F213-F266 HydrophobicContact CE2-CD2 3.7Å; F213-F266 AromaticContact CE2-CE2 3.69Å; F213-F266 HydrophobicContact CE2-CE2 3.69Å; F213-F266 HydrophobicContact CE2-CG 4.15Å; F213-F266 HydrophobicContact CE2-CZ 4.14Å; F213-F266 HydrophobicContact CZ-CD1 4.06Å; F213-F266 AromaticContact CZ-CD2 3.96Å; F213-F266 HydrophobicContact CZ-CD2 3.96Å; F213-F266 AromaticContact CZ-CE1 3.89Å; F213-F266 HydrophobicContact CZ-CE1 3.89Å; F213-F266 AromaticContact CZ-CE2 3.78Å; F213-F266 HydrophobicContact CZ-CE2 3.78Å; F213-F266 HydrophobicContact CZ-CG 4.08Å; F213-F266 AromaticContact CZ-CZ 3.74Å; F213-F266 HydrophobicContact CZ-CZ 3.74Å; Y216-F266 HydrophobicContact CD1-CB 3.83Å; Y216-F266 HydrophobicContact CE1-CB 3.29Å; I234-F266 HydrophobicContact CB-CE1 4.41Å; I234-F266 HydrophobicContact CG1-CZ 4.19Å; I234-F266 HydrophobicContact CG2-CE1 4.17Å; I234-F266 HydrophobicContact CG2-CZ 4.39Å; A252-F266 HydrophobicContact CB-CD1 3.94Å; A252-F266 HydrophobicContact CB-CD2 4.35Å; A252-F266 HydrophobicContact CB-CE1 3.35Å; A252-F266 HydrophobicContact CB-CE2 3.82Å; A252-F266 HydrophobicContact CB-CG 4.41Å; A252-F266 HydrophobicContact CB-CZ 3.29Å; A252-F266 PolarHBondContact N-O 3.11Å; A252-F266 WeakPolarHBondContact O-CD1 3.38Å; A252-F266 PolarHBondContact O-N 3.35Å; N254-F266 HydrophobicContact CB-CD1 4.31Å; N254-F266 HydrophobicContact CB-CE1 4.31Å; W260-F266 HydrophobicContact CH2-CB 3.94Å; W260-F266 AromaticContact CH2-CD1 3.86Å; W260-F266 HydrophobicContact CH2-CD1 3.86Å; W260-F266 HydrophobicContact CH2-CG 4.07Å; W260-F266 HydrophobicContact CZ3-CB 4.11Å; W260-F266 AromaticContact CZ3-CD1 3.89Å; W260-F266 HydrophobicContact CZ3-CD1 3.89Å; W260-F266 HydrophobicContact CZ3-CG 4.36Å; F266-I268 HydrophobicContact CD2-CB 4.05Å; F266-I268 HydrophobicContact CD2-CG2 4.15Å; F266-I268 HydrophobicContact CE2-CB 4.01Å; F266-I268 HydrophobicContact CE2-CG2 3.72Å; F266-I285 HydrophobicContact CE2-CD1 4.13Å; F266-I285 HydrophobicContact CZ-CD1 4.12Å
267	R	98.9	Very high	98	Very high	57 Å²	57	52 Å²	52	22%	0.215	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	134.7	169.4	-66	177.3	-72.8	153.1	1.9	109	Y216 I220 Y221 Y249 W250 E262	Y216-R267 PolarHBondContact OH-N 3.25Å; I220-R267 HydrophobicContact CG1-CB 4.26Å; Y221-R267 WeakPolarHBondContact CB-O 3.42Å; Y221-R267 PolarHBondContact N-O 2.88Å; Y249-R267 HydrophobicContact CD2-CB 3.76Å; Y249-R267 HydrophobicContact CD2-CG 3.59Å; Y249-R267 HydrophobicContact CE2-CB 4.36Å; Y249-R267 HydrophobicContact CE2-CG 3.72Å; Y249-R267 HydrophobicContact CG-CB 4.1Å; Y249-R267 HydrophobicContact CG-CG 4.36Å; W250-R267 VanDerWaalsContact O-CA 3.26Å; W250-R267 WeakPolarHBondContact O-CA 3.26Å; E262-R267 IonicContact OE1-CZ 3.81Å; E262-R267 IonicContact OE1-NE 3.82Å; E262-R267 PolarHBondContact OE1-NE 3.44Å; E262-R267 VanDerWaalsContact OE1-NE 3.1Å; E262-R267 IonicContact OE1-NH2 3.78Å; E262-R267 PolarHBondContact OE1-NH2 3.47Å; E262-R267 IonicContact OE2-CZ 2.7Å; E262-R267 IonicContact OE2-NE 3.2Å; E262-R267 PolarHBondContact OE2-NE 3.12Å; E262-R267 IonicContact OE2-NH2 2.9Å
268	I	98.9	Very high	98	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	142.8	179.9	-172.8	166.1	0	0	0	110.1	I207 Y221 Y249 W250 F266 N282 L283 I285	I207-I268 HydrophobicContact CD1-CD1 4.19Å; Y221-I268 HydrophobicContact CD1-CD1 3.87Å; Y221-I268 HydrophobicContact CD1-CG1 4.09Å; Y221-I268 WeakPolarHBondContact O-CA 3.29Å; Y221-I268 WeakPolarHBondContact O-CG1 3.39Å; Y249-I268 CarbonylContact C-O 3.52Å; Y249-I268 WeakPolarHBondContact CA-O 3.21Å; Y249-I268 WeakPolarHBondContact CB-O 3.32Å; W250-I268 HydrophobicContact CB-CG2 3.98Å; W250-I268 PolarHBondContact N-O 3.01Å; W250-I268 PolarHBondContact O-N 2.98Å; F266-I268 HydrophobicContact CD2-CB 4.05Å; F266-I268 HydrophobicContact CD2-CG2 4.15Å; F266-I268 HydrophobicContact CE2-CB 4.01Å; F266-I268 HydrophobicContact CE2-CG2 3.72Å; I268-N282 HydrophobicContact CD1-CB 4.49Å; I268-N282 WeakPolarHBondContact CD1-O 3.18Å; I268-N282 HydrophobicContact CG1-CB 4.42Å; I268-L283 HydrophobicContact CD1-CB 4.28Å; I268-L283 HydrophobicContact CD1-CD1 4.28Å; I268-L283 HydrophobicContact CD1-CG 4.18Å; I268-I285 HydrophobicContact CG2-CD1 3.69Å; I268-I285 HydrophobicContact CG2-CG2 4.36Å
269	V	98.9	Very high	97.9	Very high	2 Å²	2	50.7 Å²	50.7	1%	0.012	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.5	148.3	179.5	-68.3	0	0	0	0	113	I220 Y221 A222 I247 F273 N282	I220-V269 HydrophobicContact CG2-CG1 3.7Å; Y221-V269 PolarHBondContact O-N 2.75Å; A222-V269 HydrophobicContact CB-CG1 3.86Å; A222-V269 HydrophobicContact CB-CG2 3.84Å; I247-V269 HydrophobicContact CG2-CG1 3.9Å; V269-F273 HydrophobicContact CB-CB 3.75Å; V269-F273 HydrophobicContact CB-CD1 4.11Å; V269-F273 HydrophobicContact CB-CD2 4.32Å; V269-F273 HydrophobicContact CB-CG 3.83Å; V269-F273 HydrophobicContact CG1-CB 4.13Å; V269-F273 HydrophobicContact CG1-CD1 4Å; V269-F273 HydrophobicContact CG1-CD2 3.73Å; V269-F273 HydrophobicContact CG1-CE1 4.28Å; V269-F273 HydrophobicContact CG1-CE2 4.05Å; V269-F273 HydrophobicContact CG1-CG 3.7Å; V269-F273 HydrophobicContact CG1-CZ 4.3Å; V269-F273 HydrophobicContact CG2-CB 4.22Å; V269-F273 HydrophobicContact CG2-CD1 3.95Å; V269-F273 HydrophobicContact CG2-CG 4.18Å; V269-N282 HydrophobicContact CG2-CB 4.25Å; V269-N282 WeakPolarHBondContact O-CB 3.49Å
270	T	98.8	Very high	98	Very high	1 Å²	1	47.7 Å²	47.7	1%	0.006	25%	0.247	C	C	.	.			trans	-89.6	174.3	171.7	76.2	0	0	0	0	111.5	E248 W250 L272 F273 G278 E286	E248-T270 HydrophobicContact CB-CG2 4.24Å; E248-T270 HydrophobicContact CG-CG2 3.77Å; E248-T270 PolarHBondContact O-N 2.95Å; E248-T270 WeakPolarHBondContact OE1-CB 3.47Å; E248-T270 WeakPolarHBondContact OE1-CG2 3.48Å; E248-T270 PolarHBondContact OE1-OG1 3.08Å; W250-T270 HydrophobicContact CD2-CG2 4.13Å; W250-T270 HydrophobicContact CG-CG2 4.09Å; W250-T270 HydrophobicContact CZ2-CG2 4.42Å; T270-L272 PolarHBondContact O-N 2.82Å; T270-L272 VanDerWaalsContact O-N 3.07Å; T270-L272 PolarHBondContact OG1-N 3.43Å; T270-F273 WeakPolarHBondContact O-CB 3.41Å; T270-F273 PolarHBondContact O-N 3.19Å; T270-G278 WeakPolarHBondContact O-CA 3.23Å; T270-E286 VanDerWaalsContact CA-OE1 3.32Å; T270-E286 WeakPolarHBondContact CA-OE1 3.37Å; T270-E286 WeakPolarHBondContact CB-OE1 3.46Å
271	S	98.5	Very high	98	Very high	22 Å²	22	48 Å²	48	15%	0.154	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-20.4	173.7	46.9	0	0	0	0	114.4	R190 F273 S276 G278 D279 E286	R190-S271 WeakPolarHBondContact CB-OG 3.42Å; S271-F273 VanDerWaalsContact C-N 3.25Å; S271-F273 PolarHBondContact O-N 2.88Å; S271-S276 CarbonylContact O-C 3.51Å; S271-S276 WeakPolarHBondContact O-CA 3.46Å; S271-G278 PolarHBondContact O-N 3.1Å; S271-D279 WeakPolarHBondContact CB-OD1 3.45Å; S271-E286 WeakPolarHBondContact CB-OE2 3.5Å; S271-E286 PolarHBondContact N-OE1 2.62Å; S271-E286 PolarHBondContact OG-OE1 3.22Å; S271-E286 PolarHBondContact OG-OE2 2.85Å
272	L	98	Very high	98	Very high	78 Å²	78	47.3 Å²	47.3	41%	0.408	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-18.7	176.1	-68.1	-172.1	0	0	0	114.1	T270 S276	T270-L272 PolarHBondContact O-N 2.82Å; T270-L272 VanDerWaalsContact O-N 3.07Å; T270-L272 PolarHBondContact OG1-N 3.43Å; L272-S276 PolarHBondContact O-N 3.12Å
273	F	98.2	Very high	98	Very high	36 Å²	36	44.9 Å²	44.9	16%	0.158	23%	0.23	C	C	.	.	H	α-helix	trans	-58	143.5	-176.2	-178.2	-116.7	0	0	0	112.7	A222 I247 V269 T270 S271 N275 S276 T277 G278 Y281	A222-F273 HydrophobicContact CB-CE1 3.95Å; A222-F273 HydrophobicContact CB-CZ 4.26Å; I247-F273 HydrophobicContact CD1-CE2 3.96Å; I247-F273 HydrophobicContact CG1-CD2 4.45Å; I247-F273 HydrophobicContact CG1-CE2 4.34Å; I247-F273 HydrophobicContact CG2-CD2 4.12Å; I247-F273 HydrophobicContact CG2-CE2 4.45Å; V269-F273 HydrophobicContact CB-CB 3.75Å; V269-F273 HydrophobicContact CB-CD1 4.11Å; V269-F273 HydrophobicContact CB-CD2 4.32Å; V269-F273 HydrophobicContact CB-CG 3.83Å; V269-F273 HydrophobicContact CG1-CB 4.13Å; V269-F273 HydrophobicContact CG1-CD1 4Å; V269-F273 HydrophobicContact CG1-CD2 3.73Å; V269-F273 HydrophobicContact CG1-CE1 4.28Å; V269-F273 HydrophobicContact CG1-CE2 4.05Å; V269-F273 HydrophobicContact CG1-CG 3.7Å; V269-F273 HydrophobicContact CG1-CZ 4.3Å; V269-F273 HydrophobicContact CG2-CB 4.22Å; V269-F273 HydrophobicContact CG2-CD1 3.95Å; V269-F273 HydrophobicContact CG2-CG 4.18Å; T270-F273 WeakPolarHBondContact O-CB 3.41Å; T270-F273 PolarHBondContact O-N 3.19Å; S271-F273 VanDerWaalsContact C-N 3.25Å; S271-F273 PolarHBondContact O-N 2.88Å; F273-N275 PolarHBondContact O-N 3.5Å; F273-S276 PolarHBondContact O-N 3.09Å; F273-T277 CarbonylContact O-C 3.51Å; F273-T277 PolarHBondContact O-N 3.44Å; F273-G278 PolarHBondContact O-N 2.89Å; F273-Y281 HydrophobicContact CD1-CD1 4.4Å; F273-Y281 AromaticContact CD1-CD2 3.89Å; F273-Y281 HydrophobicContact CD1-CD2 3.89Å; F273-Y281 AromaticContact CD1-CG 3.78Å; F273-Y281 HydrophobicContact CD1-CG 3.78Å; F273-Y281 AromaticContact CE1-CD1 4Å; F273-Y281 HydrophobicContact CE1-CD1 4Å; F273-Y281 HydrophobicContact CE1-CD2 4.21Å; F273-Y281 HydrophobicContact CE1-CE1 4.49Å; F273-Y281 AromaticContact CE1-CG 3.85Å; F273-Y281 HydrophobicContact CE1-CG 3.85Å
274	K	96.4	Very high	98	Very high	109 Å²	109	37.6 Å²	37.6	47%	0.474	20%	0.197	S	C	.	.	H	α-helix	trans	47.2	61.6	-178.5	-72.7	179.1	173.8	179.1	0	112.7	T277 Y281	K274-T277 WeakPolarHBondContact CB-OG1 3.48Å; K274-T277 PolarHBondContact O-N 3.18Å; K274-T277 PolarHBondContact O-OG1 3.4Å; K274-Y281 HydrophobicContact CB-CE2 4.47Å; K274-Y281 HydrophobicContact CD-CD2 4.39Å; K274-Y281 HydrophobicContact CD-CE1 4.11Å; K274-Y281 HydrophobicContact CD-CE2 3.71Å; K274-Y281 PolarHBondContact NZ-OH 2.96Å
275	N	94.3	Very high	98	Very high	158 Å²	158	37.6 Å²	37.6	85%	0.845	20%	0.197	S	C	*	.	H	α-helix	trans	56.7	54.5	179.1	-59.6	-24.2	0	0	0	112.8	F273 T277	F273-N275 PolarHBondContact O-N 3.5Å; N275-T277 VanDerWaalsContact C-N 3.27Å; N275-T277 PolarHBondContact O-N 2.69Å
276	S	95.4	Very high	98	Very high	88 Å²	88	36.4 Å²	36.4	62%	0.615	19%	0.192	S	C	*	.	H	α-helix	trans	62.6	28.4	178	-52.7	0	0	0	0	114.9	S271 L272 F273	S271-S276 CarbonylContact O-C 3.51Å; S271-S276 WeakPolarHBondContact O-CA 3.46Å; L272-S276 PolarHBondContact O-N 3.12Å; F273-S276 PolarHBondContact O-N 3.09Å
277	T	97.3	Very high	98	Very high	58 Å²	58	41.6 Å²	41.6	36%	0.356	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.2	10.2	173.6	65.1	0	0	0	0	112.8	F273 K274 N275 D279 N280 Y281	F273-T277 CarbonylContact O-C 3.51Å; F273-T277 PolarHBondContact O-N 3.44Å; K274-T277 WeakPolarHBondContact CB-OG1 3.48Å; K274-T277 PolarHBondContact O-N 3.18Å; K274-T277 PolarHBondContact O-OG1 3.4Å; N275-T277 VanDerWaalsContact C-N 3.27Å; N275-T277 PolarHBondContact O-N 2.69Å; T277-D279 PolarHBondContact O-N 3.37Å; T277-D279 VanDerWaalsContact O-N 3.1Å; T277-N280 PolarHBondContact O-N 3.05Å; T277-N280 PolarHBondContact O-ND2 3.42Å; T277-Y281 WeakPolarHBondContact O-CD2 3.5Å
278	G	98	Very high	97.9	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-61.1	-20.1	-173.3	0	0	0	0	0	114.8	T270 S271 F273 N280 Y281 N282	T270-G278 WeakPolarHBondContact O-CA 3.23Å; S271-G278 PolarHBondContact O-N 3.1Å; F273-G278 PolarHBondContact O-N 2.89Å; G278-N280 PolarHBondContact O-N 3.07Å; G278-N280 VanDerWaalsContact O-N 3.15Å; G278-Y281 CarbonylContact O-C 3.51Å; G278-Y281 WeakPolarHBondContact O-CA 3.14Å; G278-Y281 PolarHBondContact O-N 3.1Å; G278-N282 WeakPolarHBondContact O-CB 3.34Å; G278-N282 VanDerWaalsContact O-CG 3.27Å; G278-N282 PolarHBondContact O-N 3.15Å
279	D	97.6	Very high	97.9	Very high	51 Å²	51	42.2 Å²	42.2	27%	0.273	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	-57	-25.3	170.1	-85.4	-7.9	0	0	0	113.8	S271 T277 Y281 N282 K287	S271-D279 WeakPolarHBondContact CB-OD1 3.45Å; T277-D279 PolarHBondContact O-N 3.37Å; T277-D279 VanDerWaalsContact O-N 3.1Å; D279-Y281 VanDerWaalsContact C-N 3.28Å; D279-N282 WeakPolarHBondContact CA-OD1 3.46Å; D279-N282 PolarHBondContact O-OD1 2.93Å; D279-N282 PolarHBondContact OD1-ND2 3.29Å; D279-K287 IonicContact OD1-NZ 3.84Å; D279-K287 IonicContact OD2-NZ 3.92Å; D279-K287 PolarHBondContact OD2-NZ 3.07Å
280	N	98.2	Very high	97.9	Very high	57 Å²	57	42.2 Å²	42.2	31%	0.305	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-84.4	-2.5	173.6	-58.8	-66.4	0	0	0	112.9	L224 R225 T277 G278	L224-N280 CarbonylContact C-O 3.53Å; L224-N280 VanDerWaalsContact CA-O 3.32Å; L224-N280 WeakPolarHBondContact CA-O 3.46Å; L224-N280 HydrophobicContact CD1-CB 4Å; R225-N280 CarbonylContact C-O 3.39Å; R225-N280 PolarHBondContact N-O 3.02Å; R225-N280 WeakPolarHBondContact O-CA 3.44Å; T277-N280 PolarHBondContact O-N 3.05Å; T277-N280 PolarHBondContact O-ND2 3.42Å; G278-N280 PolarHBondContact O-N 3.07Å; G278-N280 VanDerWaalsContact O-N 3.15Å
281	Y	98.7	Very high	97.9	Very high	39 Å²	39	42.3 Å²	42.3	15%	0.153	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.4	-16.2	-172.1	-65.8	-84.4	0	0	0	113.7	E223 L224 F273 K274 T277 G278 D279	E223-Y281 PolarHBondContact N-O 3.31Å; E223-Y281 CarbonylContact O-C 3.58Å; E223-Y281 VanDerWaalsContact O-CA 3.24Å; E223-Y281 WeakPolarHBondContact O-CA 3.48Å; L224-Y281 HydrophobicContact CB-CD1 4.15Å; L224-Y281 HydrophobicContact CB-CE1 3.73Å; L224-Y281 HydrophobicContact CD1-CD1 4.48Å; L224-Y281 HydrophobicContact CD1-CE1 3.87Å; L224-Y281 HydrophobicContact CD1-CE2 4.26Å; L224-Y281 HydrophobicContact CG-CE1 4.31Å; F273-Y281 HydrophobicContact CD1-CD1 4.4Å; F273-Y281 AromaticContact CD1-CD2 3.89Å; F273-Y281 HydrophobicContact CD1-CD2 3.89Å; F273-Y281 AromaticContact CD1-CG 3.78Å; F273-Y281 HydrophobicContact CD1-CG 3.78Å; F273-Y281 AromaticContact CE1-CD1 4Å; F273-Y281 HydrophobicContact CE1-CD1 4Å; F273-Y281 HydrophobicContact CE1-CD2 4.21Å; F273-Y281 HydrophobicContact CE1-CE1 4.49Å; F273-Y281 AromaticContact CE1-CG 3.85Å; F273-Y281 HydrophobicContact CE1-CG 3.85Å; K274-Y281 HydrophobicContact CB-CE2 4.47Å; K274-Y281 HydrophobicContact CD-CD2 4.39Å; K274-Y281 HydrophobicContact CD-CE1 4.11Å; K274-Y281 HydrophobicContact CD-CE2 3.71Å; K274-Y281 PolarHBondContact NZ-OH 2.96Å; T277-Y281 WeakPolarHBondContact O-CD2 3.5Å; G278-Y281 CarbonylContact O-C 3.51Å; G278-Y281 WeakPolarHBondContact O-CA 3.14Å; G278-Y281 PolarHBondContact O-N 3.1Å; D279-Y281 VanDerWaalsContact C-N 3.28Å
282	N	98.7	Very high	97.9	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99	16.6	-173.5	70.8	7.8	0	0	0	113.8	I268 V269 G278 D279 A284 I285	I268-N282 HydrophobicContact CD1-CB 4.49Å; I268-N282 WeakPolarHBondContact CD1-O 3.18Å; I268-N282 HydrophobicContact CG1-CB 4.42Å; V269-N282 HydrophobicContact CG2-CB 4.25Å; V269-N282 WeakPolarHBondContact O-CB 3.49Å; G278-N282 WeakPolarHBondContact O-CB 3.34Å; G278-N282 VanDerWaalsContact O-CG 3.27Å; G278-N282 PolarHBondContact O-N 3.15Å; D279-N282 WeakPolarHBondContact CA-OD1 3.46Å; D279-N282 PolarHBondContact O-OD1 2.93Å; D279-N282 PolarHBondContact OD1-ND2 3.29Å; N282-A284 PolarHBondContact O-N 3.05Å; N282-A284 VanDerWaalsContact O-N 3.15Å; N282-A284 PolarHBondContact OD1-N 2.8Å; N282-I285 HydrophobicContact CB-CG2 3.92Å; N282-I285 VanDerWaalsContact O-CB 3.26Å; N282-I285 WeakPolarHBondContact O-CB 3.42Å; N282-I285 VanDerWaalsContact O-CG2 3.29Å; N282-I285 WeakPolarHBondContact O-CG2 3.07Å; N282-I285 PolarHBondContact O-N 2.98Å
283	L	98.6	Very high	97.9	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.4	36.8	176.2	-58	-178.7	0	0	0	114	I207 E208 T210 F213 Y221 E223 R225 I268 I285	I207-L283 HydrophobicContact CD1-CB 4.12Å; I207-L283 HydrophobicContact CD1-CD1 4.33Å; I207-L283 HydrophobicContact CG1-CB 3.62Å; I207-L283 HydrophobicContact CG1-CD1 4.48Å; I207-L283 WeakPolarHBondContact CG1-O 3.39Å; E208-L283 HydrophobicContact CB-CB 4.22Å; E208-L283 PolarHBondContact N-O 2.85Å; E208-L283 VanDerWaalsContact O-CD1 3.23Å; E208-L283 WeakPolarHBondContact O-CD1 3.34Å; T210-L283 HydrophobicContact CG2-CD2 4.26Å; F213-L283 HydrophobicContact CB-CD1 4.07Å; F213-L283 HydrophobicContact CD2-CD1 3.74Å; F213-L283 HydrophobicContact CE2-CD1 4.49Å; F213-L283 HydrophobicContact CG-CD1 4.06Å; Y221-L283 HydrophobicContact CD1-CD1 4.24Å; Y221-L283 HydrophobicContact CE1-CD1 3.56Å; Y221-L283 HydrophobicContact CE1-CG 4.13Å; E223-L283 HydrophobicContact CB-CD2 4.14Å; R225-L283 HydrophobicContact CB-CD2 4.34Å; R225-L283 HydrophobicContact CG-CD2 3.6Å; I268-L283 HydrophobicContact CD1-CB 4.28Å; I268-L283 HydrophobicContact CD1-CD1 4.28Å; I268-L283 HydrophobicContact CD1-CG 4.18Å; L283-I285 PolarHBondContact O-N 3.3Å
284	A	98.5	Very high	97.9	Very high	3 Å²	3	38.1 Å²	38.1	3%	0.025	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	64	14.2	-177.5	0	0	0	0	0	116	P228 I230 N282 E286 K287	P228-A284 HydrophobicContact CB-CB 3.97Å; P228-A284 HydrophobicContact CG-CB 3.64Å; I230-A284 HydrophobicContact CD1-CB 4.08Å; I230-A284 HydrophobicContact CG1-CB 3.84Å; N282-A284 PolarHBondContact O-N 3.05Å; N282-A284 VanDerWaalsContact O-N 3.15Å; N282-A284 PolarHBondContact OD1-N 2.8Å; A284-E286 PolarHBondContact O-N 2.73Å; A284-K287 HydrophobicContact CB-CB 4.3Å; A284-K287 HydrophobicContact CB-CG 3.89Å; A284-K287 WeakPolarHBondContact O-CB 3.39Å; A284-K287 WeakPolarHBondContact O-CG 3.24Å; A284-K287 PolarHBondContact O-N 3.46Å
285	I	98.7	Very high	97.9	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-20.4	-171.3	-156.4	178.6	0	0	0	113.9	C205 G206 I207 I234 I236 A252 F266 I268 N282 L283 C289	C205-I285 HydrophobicContact CB-CG1 4.4Å; G206-I285 WeakPolarHBondContact O-CA 3.38Å; I207-I285 HydrophobicContact CB-CG1 4.41Å; I207-I285 HydrophobicContact CD1-CB 4.41Å; I207-I285 HydrophobicContact CD1-CD1 4.03Å; I207-I285 HydrophobicContact CD1-CG1 4.23Å; I207-I285 HydrophobicContact CG1-CB 4.28Å; I207-I285 HydrophobicContact CG1-CG1 4.34Å; I234-I285 HydrophobicContact CD1-CD1 3.98Å; I234-I285 HydrophobicContact CD1-CG1 4.17Å; I234-I285 HydrophobicContact CG1-CD1 4.39Å; I236-I285 HydrophobicContact CD1-CD1 3.95Å; I236-I285 HydrophobicContact CD1-CG1 3.92Å; I236-I285 HydrophobicContact CG1-CD1 4.23Å; A252-I285 HydrophobicContact CB-CD1 4.38Å; F266-I285 HydrophobicContact CE2-CD1 4.13Å; F266-I285 HydrophobicContact CZ-CD1 4.12Å; I268-I285 HydrophobicContact CG2-CD1 3.69Å; I268-I285 HydrophobicContact CG2-CG2 4.36Å; N282-I285 HydrophobicContact CB-CG2 3.92Å; N282-I285 VanDerWaalsContact O-CB 3.26Å; N282-I285 WeakPolarHBondContact O-CB 3.42Å; N282-I285 VanDerWaalsContact O-CG2 3.29Å; N282-I285 WeakPolarHBondContact O-CG2 3.07Å; N282-I285 PolarHBondContact O-N 2.98Å; L283-I285 PolarHBondContact O-N 3.3Å; I285-C289 PolarHBondContact O-SG 3.12Å; I285-C289 VanDerWaalsContact O-SG 3.37Å
286	E	98.7	Very high	97.4	Very high	5 Å²	5	33.5 Å²	33.5	2%	0.023	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	0.1	178.2	-60.9	-178.2	-166.6	0	0	114.6	G189 R190 M193 W250 T270 S271 A284	G189-E286 PolarHBondContact N-O 2.69Å; R190-E286 VanDerWaalsContact CB-OE2 3.3Å; R190-E286 WeakPolarHBondContact CB-OE2 3.06Å; R190-E286 PolarHBondContact N-OE2 2.95Å; M193-E286 HydrophobicContact CE-CB 4.35Å; M193-E286 HydrophobicContact CE-CG 4.03Å; M193-E286 VanDerWaalsContact SD-CA 3.55Å; M193-E286 HydrophobicContact SD-CB 3.77Å; M193-E286 HydrophobicContact SD-CG 3.93Å; W250-E286 HydrophobicContact CZ2-CG 4.28Å; W250-E286 PolarHBondContact NE1-OE1 3.07Å; T270-E286 VanDerWaalsContact CA-OE1 3.32Å; T270-E286 WeakPolarHBondContact CA-OE1 3.37Å; T270-E286 WeakPolarHBondContact CB-OE1 3.46Å; S271-E286 WeakPolarHBondContact CB-OE2 3.5Å; S271-E286 PolarHBondContact N-OE1 2.62Å; S271-E286 PolarHBondContact OG-OE1 3.22Å; S271-E286 PolarHBondContact OG-OE2 2.85Å; A284-E286 PolarHBondContact O-N 2.73Å
287	K	98.2	Very high	96.3	Very high	109 Å²	109	31.9 Å²	31.9	47%	0.474	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-31.3	-170.5	-62.2	-63.1	175.3	-168.4	0	114.2	N188 I230 D279 A284	N188-K287 VanDerWaalsContact CG-O 3.27Å; N188-K287 PolarHBondContact OD1-O 2.63Å; I230-K287 HydrophobicContact CD1-CB 4.42Å; D279-K287 IonicContact OD1-NZ 3.84Å; D279-K287 IonicContact OD2-NZ 3.92Å; D279-K287 PolarHBondContact OD2-NZ 3.07Å; A284-K287 HydrophobicContact CB-CB 4.3Å; A284-K287 HydrophobicContact CB-CG 3.89Å; A284-K287 WeakPolarHBondContact O-CB 3.39Å; A284-K287 WeakPolarHBondContact O-CG 3.24Å; A284-K287 PolarHBondContact O-N 3.46Å
288	M	97.7	Very high	94.8	Very high	70 Å²	70	33 Å²	33	35%	0.345	18%	0.179	S	C	.	.	S	Bend	trans	-145.5	95.2	-174.1	-171.4	179.2	75.6	0	0	109.5	M128 N188 C205 G206 I230	M128-M288 HydrophobicContact CE-CB 4.47Å; M128-M288 HydrophobicContact CE-CE 3.69Å; M128-M288 HydrophobicContact CE-CG 3.67Å; M128-M288 WeakPolarHBondContact CE-O 3.22Å; M128-M288 HydrophobicContact CE-SD 4.29Å; N188-M288 WeakPolarHBondContact OD1-CA 3.46Å; N188-M288 PolarHBondContact OD1-N 3.43Å; C205-M288 CarbonylContact C-O 3.46Å; C205-M288 WeakPolarHBondContact CA-O 3.4Å; G206-M288 PolarHBondContact N-O 3.06Å; I230-M288 HydrophobicContact CD1-CB 3.84Å; I230-M288 HydrophobicContact CD1-CE 4.25Å; I230-M288 HydrophobicContact CG2-CE 3.74Å
289	C	98.7	Very high	93	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	159.4	172.1	-48.5	0	0	0	0	112.5	E186 V187 N188 M193 I203 A204 C205 I285	E186-C289 CarbonylContact C-O 3.58Å; E186-C289 VanDerWaalsContact CA-O 3.27Å; E186-C289 WeakPolarHBondContact CA-O 3.27Å; V187-C289 HydrophobicContact CG1-CB 4.19Å; V187-C289 PolarHBondContact N-O 3.13Å; V187-C289 WeakPolarHBondContact O-CB 3.49Å; N188-C289 PolarHBondContact OD1-N 2.81Å; M193-C289 VanDerWaalsContact CE-SG 3.57Å; I203-C289 HydrophobicContact CD1-CB 3.9Å; I203-C289 HydrophobicContact CG1-CB 4.47Å; A204-C289 CarbonylContact O-C 3.56Å; A204-C289 WeakPolarHBondContact O-CA 3.49Å; A204-C289 VanDerWaalsContact O-CB 3.28Å; A204-C289 WeakPolarHBondContact O-CB 3.17Å; C205-C289 HydrophobicContact CB-CB 3.92Å; C205-C289 WeakPolarHBondContact CB-SG 3.36Å; C205-C289 WeakPolarHBondContact SG-CB 3.31Å; C205-C289 CovalentContact SG-SG 2.02Å; C205-C289 PolarHBondContact SG-SG 3.28Å; I285-C289 PolarHBondContact O-SG 3.12Å; I285-C289 VanDerWaalsContact O-SG 3.37Å
290	T	98.6	Very high	91.1	Very high	3 Å²	3	36.8 Å²	36.8	2%	0.018	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	145.9	-177.6	55.2	0	0	0	0	111.5	M128 L129 Y132 G185 E186 I203 A204	M128-T290 HydrophobicContact CE-CG2 4.03Å; M128-T290 HydrophobicContact CG-CG2 4.03Å; M128-T290 HydrophobicContact SD-CG2 4.37Å; L129-T290 HydrophobicContact CB-CG2 4.11Å; L129-T290 HydrophobicContact CD1-CG2 3.88Å; Y132-T290 VanDerWaalsContact CE2-OG1 3.3Å; Y132-T290 WeakPolarHBondContact CE2-OG1 3.26Å; G185-T290 CarbonylContact O-C 3.57Å; G185-T290 WeakPolarHBondContact O-CA 3.49Å; G185-T290 WeakPolarHBondContact O-CB 3.34Å; E186-T290 HydrophobicContact CG-CG2 4.41Å; I203-T290 WeakPolarHBondContact CB-O 3.42Å; A204-T290 PolarHBondContact N-O 2.7Å; A204-T290 PolarHBondContact O-N 2.91Å; A204-T290 PolarHBondContact O-OG1 2.94Å
291	Y	98.7	Very high	88.8	Confident	2 Å²	2	42.8 Å²	42.8	1%	0.008	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	157.8	172.9	67.8	-93.7	0	0	0	110.3	R38 R42 D183 Y184 G185 E186 V187 E196	R38-Y291 WeakPolarHBondContact CD-OH 3.3Å; R42-Y291 WeakPolarHBondContact CD-OH 3.1Å; R42-Y291 HydrophobicContact CG-CE1 4.18Å; R42-Y291 VanDerWaalsContact CZ-CD2 3.41Å; D183-Y291 HydrophobicContact CB-CE2 4.47Å; Y184-Y291 VanDerWaalsContact CA-O 3.27Å; Y184-Y291 WeakPolarHBondContact CA-O 3.49Å; Y184-Y291 WeakPolarHBondContact CB-O 3.42Å; G185-Y291 VanDerWaalsContact C-CE1 3.43Å; G185-Y291 PolarHBondContact N-O 2.9Å; G185-Y291 VanDerWaalsContact N-O 3.11Å; G185-Y291 VanDerWaalsContact O-CD1 3.29Å; G185-Y291 WeakPolarHBondContact O-CD1 3.46Å; G185-Y291 PolarHBondContact O-N 3.32Å; E186-Y291 WeakPolarHBondContact O-CE1 3.42Å; V187-Y291 HydrophobicContact CB-CD1 4.11Å; V187-Y291 HydrophobicContact CG1-CD1 4.15Å; E196-Y291 HydrophobicContact CG-CG 4.5Å
292	A	98.5	Very high	86	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	133	169.3	0	0	0	0	0	109.6	L92 R95 Y132 V181 P294	L92-A292 HydrophobicContact CD1-CB 4.13Å; R95-A292 WeakPolarHBondContact CD-O 3.21Å; R95-A292 PolarHBondContact NH1-O 3.45Å; R95-A292 VanDerWaalsContact NH1-O 3.17Å; Y132-A292 HydrophobicContact CD1-CB 3.5Å; Y132-A292 VanDerWaalsContact CD1-CB 3.5Å; Y132-A292 HydrophobicContact CD2-CB 3.77Å; Y132-A292 HydrophobicContact CE1-CB 3.67Å; Y132-A292 HydrophobicContact CE2-CB 3.92Å; Y132-A292 HydrophobicContact CG-CB 3.56Å; V181-A292 HydrophobicContact CB-CB 4.5Å; V181-A292 HydrophobicContact CG1-CB 3.72Å; V181-A292 HydrophobicContact CG2-CB 3.88Å; A292-P294 WeakPolarHBondContact O-CD 3.5Å
293	D	98.4	Very high	83.1	Confident	35 Å²	35	56.9 Å²	56.9	19%	0.187	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	110.3	178.1	-65.3	-18.7	0	0	0	108.8	R42 R95 V181 G182 D183	R42-D293 IonicContact CZ-OD1 3.1Å; R42-D293 IonicContact CZ-OD2 3.88Å; R42-D293 IonicContact NH1-OD1 2.65Å; R42-D293 IonicContact NH1-OD2 2.96Å; R42-D293 PolarHBondContact NH1-OD2 3.15Å; R42-D293 IonicContact NH2-OD1 3.53Å; R42-D293 PolarHBondContact NH2-OD1 3.21Å; R42-D293 IonicContact NH2-OD2 2.75Å; R42-D293 PolarHBondContact NH2-OD2 3.47Å; R95-D293 IonicContact NH1-OD1 3.68Å; R95-D293 PolarHBondContact NH1-OD1 3Å; V181-D293 WeakPolarHBondContact CA-O 3.44Å; G182-D293 PolarHBondContact N-O 3.47Å; D183-D293 HydrophobicContact CB-CB 4.37Å; D183-D293 PolarHBondContact O-N 2.98Å
294	P	97.7	Very high	80	Confident	13 Å²	13	71.4 Å²	71.4	8%	0.084	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	138.9	-179.9	26.8	-33.5	0	0	0	110.8	L92 R95 I96 Q99 A292	L92-P294 HydrophobicContact CD1-CB 4.04Å; R95-P294 HydrophobicContact CB-CG 4Å; I96-P294 HydrophobicContact CD1-CB 4.42Å; I96-P294 HydrophobicContact CG1-CB 3.46Å; I96-P294 VanDerWaalsContact CG1-CB 3.46Å; I96-P294 HydrophobicContact CG1-CG 4Å; Q99-P294 PolarHBondContact NE2-O 3.01Å; A292-P294 WeakPolarHBondContact O-CD 3.5Å
295	L	96	Very high	79.1	Confident	79 Å²	79	74.9 Å²	74.9	41%	0.414	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-81	152.7	165.8	-62	178.5	0	0	0	109.4	K180	K180-L295 HydrophobicContact CB-CB 4.41Å; K180-L295 HydrophobicContact CB-CD1 4.08Å; K180-L295 PolarHBondContact O-N 2.7Å
296	P	85.1	Confident	78.1	Confident	92 Å²	92	78.8 Å²	78.8	60%	0.597	39%	0.389	S	S	*	.	P	Polyproline II helix	trans	-50.8	137.9	168.3	-24.6	33.7	0	0	0	110.2	T298	P296-T298 PolarHBondContact O-N 2.77Å
297	P	72.6	Confident	76.9	Confident	53 Å²	53	82.9 Å²	82.9	34%	0.344	41%	0.41	S	S	.	.	P	Polyproline II helix	trans	-57.6	129	-177.9	20.5	-30	0	0	0	109.8	T177 P299	T177-P297 HydrophobicContact CG2-CB 4.17Å; P297-P299 WeakPolarHBondContact O-CD 3.32Å
298	T	65.1	Low	75.7	Confident	82 Å²	82	81.4 Å²	81.4	50%	0.503	41%	0.406	S	S	.	.	B	Isolated β-bridge	trans	-78.8	120.7	172.4	-54.6	0	0	0	0	107.2	P296 A300	P296-T298 PolarHBondContact O-N 2.77Å; T298-A300 PolarHBondContact O-N 3.46Å
299	P	59.7	Low	74.3	Confident	106 Å²	106	82.1 Å²	82.1	69%	0.688	41%	0.41	S	S	*	.	P	Polyproline II helix	trans	-55.3	141.5	174.1	-22	32.3	0	0	0	109.8	P297 K301	P297-P299 WeakPolarHBondContact O-CD 3.32Å; P299-K301 PolarHBondContact O-N 3.04Å
300	A	57.3	Low	72.7	Confident	25 Å²	25	87.5 Å²	87.5	21%	0.207	44%	0.437	C	S	.	.	P	Polyproline II helix	trans	-53.8	138.5	178.6	0	0	0	0	0	110	N175 Y176 T298 H302	N175-A300 WeakPolarHBondContact OD1-CB 3.45Å; Y176-A300 WeakPolarHBondContact O-CB 3.14Å; T298-A300 PolarHBondContact O-N 3.46Å; A300-H302 PolarHBondContact O-N 3.45Å
301	K	51.5	Low	70.8	Confident	182 Å²	182	93.6 Å²	93.6	79%	0.791	47%	0.467	S	S	*	.			trans	-61.4	108.2	176.5	-77.2	-176.5	179.2	178.2	0	107	N175 P299 Q303	N175-K301 PolarHBondContact OD1-O 3.33Å; P299-K301 PolarHBondContact O-N 3.04Å; K301-Q303 PolarHBondContact O-N 3.47Å
302	H	39.6	Very low	68.7	Low	162 Å²	162	100.6 Å²	100.6	75%	0.75	50%	0.502	S	S	*	.			trans	-61	89.8	162.6	-75	-62.4	0	0	0	108	A300 R304	A300-H302 PolarHBondContact O-N 3.45Å; H302-R304 VanDerWaalsContact C-N 3.33Å; H302-R304 PolarHBondContact O-N 3.45Å
303	Q	38.1	Very low	66.2	Low	174 Å²	174	109 Å²	109	81%	0.813	54%	0.544	S	S	*	.			trans	-75.9	97.2	156.4	-70.9	-172.8	-13.3	0	0	105.3	K301	K301-Q303 PolarHBondContact O-N 3.47Å
304	R	33.5	Very low	63.3	Low	305 Å²	305	115.7 Å²	115.7	100%	1.151	58%	0.577	S	S	*	*			trans	-77.5	0	161.1	-74.6	-170.2	-174.2	-155.9	2.3	109	H302	H302-R304 VanDerWaalsContact C-N 3.33Å; H302-R304 PolarHBondContact O-N 3.45Å

Retrieved 304 of 304 residues in 759.4 ms (Link to these results)

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