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Cathepsin L1

Important for the overall degradation of proteins in lysosomes. Essential for adult male and female fertility. May play a role in digestion.

AlphaFold DB , UniProt , Accession Q95029, Species DROME (Drosophila melanogaster, Fruit fly), Gene CtsL1, Length 371 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	44.1	Very low	48.1	Very low	234 Å²	234	151.3 Å²	151.3	100%	1.153	76%	0.76	S	S	*	*				0	126.7	0	-65.7	165.4	162.3	0	0	108
2	N	42.3	Very low	48.3	Very low	134 Å²	134	156.8 Å²	156.8	72%	0.717	77%	0.765	S	S	*	*			cis	-152	132.8	-17	-105.4	8.7	0	0	0	105.2
3	H	48.5	Very low	47.9	Very low	156 Å²	156	153.6 Å²	153.6	72%	0.722	76%	0.764	S	S	*	*				57.4	137.6	109.6	-73.1	-49.8	0	0	0	115.5
4	L	49.7	Very low	48	Very low	159 Å²	159	159.9 Å²	159.9	83%	0.832	77%	0.774	S	S	*	*			cis	-159.7	172.3	-1.7	-85.5	146.7	0	0	0	104.7
5	G	47.5	Very low	48	Very low	57 Å²	57	158.9 Å²	158.9	59%	0.588	78%	0.782	S	S	*	*			cis	-179.8	157.4	3.2	0	0	0	0	0	107.5
6	V	53.1	Low	48.2	Very low	125 Å²	125	163.8 Å²	163.8	76%	0.758	79%	0.789	S	S	*	*				71.1	125.9	97.6	168.4	0	0	0	0	112.8
7	F	52.4	Low	48.4	Very low	187 Å²	187	165.6 Å²	165.6	82%	0.82	80%	0.795	S	S	*	*			cis	-153.2	-167.1	0.9	-121.4	-20.5	0	0	0	108.2
8	E	46.9	Very low	48.5	Very low	136 Å²	136	167.7 Å²	167.7	64%	0.636	80%	0.801	S	S	*	*			cis	-138.3	-120	6.1	-152.4	-120.6	44.7	0	0	111.3
9	T	48	Very low	48.5	Very low	99 Å²	99	164.3 Å²	164.3	61%	0.607	80%	0.796	S	S	*	*			trans	-143.9	163.4	-170	70.9	0	0	0	0	112.8
10	R	47.7	Very low	48.7	Very low	205 Å²	205	165.6 Å²	165.6	77%	0.774	80%	0.801	S	S	*	*				-172.3	143.7	78.8	-84.7	-167.8	175.8	-175.2	-1.5	113.7
11	F	48.8	Very low	48.6	Very low	172 Å²	172	169.1 Å²	169.1	75%	0.754	81%	0.806	S	S	*	*			trans	47.3	147.5	142.4	-76.1	-110.7	0	0	0	121.8
12	R	50.3	Low	49	Very low	218 Å²	218	161.6 Å²	161.6	82%	0.823	78%	0.781	S	S	*	*			cis	-163.9	170.2	-28.1	-117.8	-158.2	178.9	-171.4	1	105.9
13	P	44	Very low	49.7	Very low	115 Å²	115	164.1 Å²	164.1	75%	0.747	79%	0.788	S	S	*	*			trans	-94.7	152.3	-141.4	36.1	-38.1	0	0	0	116.1
14	R	49.5	Very low	50	Low	242 Å²	242	164.3 Å²	164.3	91%	0.913	79%	0.794	S	S	*	*			trans	-131.1	132.2	147.9	-90	-172	172	179.2	-2.1	110.9	R16	R14-R16 PolarHBondContact O-N 3.42Å
15	T	47.7	Very low	50.4	Low	144 Å²	144	161.6 Å²	161.6	88%	0.883	78%	0.779	S	S	*	*			trans	-56.1	122	178.2	44.5	0	0	0	0	112
16	R	51	Low	50.8	Low	238 Å²	238	162.3 Å²	162.3	90%	0.898	77%	0.773	S	S	*	*			trans	-113.5	122.2	165.2	-109	-176.7	175	-177	-1.1	109.1	R14 K18	R14-R16 PolarHBondContact O-N 3.42Å; R16-K18 PolarHBondContact O-N 3.23Å
17	H	52	Low	51.1	Low	194 Å²	194	163.8 Å²	163.8	90%	0.898	77%	0.772	S	S	*	*			trans	-51.8	123	167.8	-86.2	-97.5	0	0	0	109.5	S19	H17-S19 PolarHBondContact O-N 3.33Å
18	K	49.2	Very low	51.3	Low	204 Å²	204	161.8 Å²	161.8	89%	0.887	77%	0.765	S	S	*	*			trans	-73.9	109.5	160.7	-79.1	-173.8	175.3	-178.9	0	107	R16 Q20	R16-K18 PolarHBondContact O-N 3.23Å; K18-Q20 PolarHBondContact O-N 3.28Å
19	S	49.3	Very low	51.9	Low	102 Å²	102	159.7 Å²	159.7	71%	0.713	76%	0.757	S	S	*	*			trans	-61.7	125.5	170	43.4	0	0	0	0	109.2	H17 R21	H17-S19 PolarHBondContact O-N 3.33Å; S19-R21 VanDerWaalsContact C-N 3.33Å; S19-R21 PolarHBondContact O-N 2.86Å
20	Q	51.6	Low	52.5	Low	190 Å²	190	158 Å²	158	89%	0.888	75%	0.747	S	S	*	*			trans	-63.3	101	159.3	-74.1	170.4	-45.5	0	0	106.8	K18 A22	K18-Q20 PolarHBondContact O-N 3.28Å; Q20-A22 PolarHBondContact O-N 2.96Å
21	R	46.2	Very low	53.1	Low	241 Å²	241	154.4 Å²	154.4	91%	0.909	74%	0.74	S	S	*	*			trans	-70.5	73.4	158.1	-101.3	-174.3	170.2	179.5	-2.8	107.4	S19 Q23	S19-R21 VanDerWaalsContact C-N 3.33Å; S19-R21 PolarHBondContact O-N 2.86Å; R21-Q23 PolarHBondContact O-N 3.28Å; R21-Q23 VanDerWaalsContact O-N 3.16Å
22	A	53.9	Low	53.8	Low	76 Å²	76	154.6 Å²	154.6	63%	0.628	74%	0.736	S	S	*	*			trans	-57.1	117.2	157.4	0	0	0	0	0	106.2	Q20 L24	Q20-A22 PolarHBondContact O-N 2.96Å; A22-L24 VanDerWaalsContact C-N 3.28Å; A22-L24 PolarHBondContact O-N 2.92Å
23	Q	57.4	Low	54.5	Low	187 Å²	187	147.6 Å²	147.6	87%	0.874	72%	0.718	S	S	*	*			trans	-65.8	99.9	165.6	-75.8	173.2	-56.5	0	0	106	R21 I25	R21-Q23 PolarHBondContact O-N 3.28Å; R21-Q23 VanDerWaalsContact O-N 3.16Å; Q23-I25 PolarHBondContact O-N 2.97Å
24	L	53.3	Low	55.8	Low	160 Å²	160	145.1 Å²	145.1	84%	0.838	71%	0.707	S	S	*	*			trans	-62.7	86.1	167.1	-81.2	156.6	0	0	0	107.4	A22	A22-L24 VanDerWaalsContact C-N 3.28Å; A22-L24 PolarHBondContact O-N 2.92Å
25	I	59.4	Low	57.1	Low	102 Å²	102	138.1 Å²	138.1	52%	0.523	69%	0.691	S	S	.	*			trans	-53.8	123.7	155.6	-57.4	175.6	0	0	0	104.4	Q23 E27 I29 T30	Q23-I25 PolarHBondContact O-N 2.97Å; I25-E27 PolarHBondContact O-N 3.07Å; I25-I29 HydrophobicContact CG2-CB 3.99Å; I25-I29 HydrophobicContact CG2-CG2 4.06Å; I25-T30 HydrophobicContact CB-CG2 4.19Å; I25-T30 HydrophobicContact CG2-CG2 3.76Å
26	P	55.4	Low	58.6	Low	72 Å²	72	135.7 Å²	135.7	47%	0.468	67%	0.672	S	S	.	*			trans	-53.9	133.4	-179.3	-22.9	30.4	0	0	0	109.4	Q28 I29 T30	P26-Q28 PolarHBondContact O-N 2.89Å; P26-I29 HydrophobicContact CB-CG1 4.2Å; P26-I29 HydrophobicContact CG-CD1 3.98Å; P26-I29 HydrophobicContact CG-CG1 4.23Å; P26-I29 WeakPolarHBondContact O-CA 3.31Å; P26-I29 WeakPolarHBondContact O-CB 3.23Å; P26-I29 PolarHBondContact O-N 3.46Å; P26-T30 PolarHBondContact O-N 3.16Å
27	E	58.3	Low	60	Low	156 Å²	156	130 Å²	130	73%	0.729	66%	0.659	S	S	*	*	H	α-helix	trans	-56.8	-26	-179.6	-67.9	-178	130.9	0	0	112.1	I25 I29 T30 M31	I25-E27 PolarHBondContact O-N 3.07Å; E27-I29 VanDerWaalsContact C-N 3.33Å; E27-I29 PolarHBondContact O-N 3.05Å; E27-T30 WeakPolarHBondContact CA-OG1 3.18Å; E27-T30 PolarHBondContact O-OG1 3.37Å; E27-T30 VanDerWaalsContact O-OG1 3.05Å; E27-M31 WeakPolarHBondContact O-CB 2.98Å; E27-M31 PolarHBondContact O-N 3.42Å
28	Q	56.5	Low	61.6	Low	145 Å²	145	123.9 Å²	123.9	68%	0.678	64%	0.636	S	S	*	*	H	α-helix	trans	-63.9	-32.3	171.3	-68.5	-173.7	-18.3	0	0	113.8	P26 R32	P26-Q28 PolarHBondContact O-N 2.89Å; Q28-R32 VanDerWaalsContact O-CB 3.24Å; Q28-R32 WeakPolarHBondContact O-CB 3.43Å; Q28-R32 WeakPolarHBondContact O-CD 3.48Å; Q28-R32 WeakPolarHBondContact O-CG 3.49Å; Q28-R32 PolarHBondContact O-N 3.46Å; Q28-R32 VanDerWaalsContact O-N 3.08Å
29	I	59.5	Low	63.2	Low	91 Å²	91	119.6 Å²	119.6	47%	0.467	62%	0.622	S	S	.	*	H	α-helix	trans	-76.5	-44.4	177.2	-62.2	-172.5	0	0	0	110	I25 P26 E27 R32 T33	I25-I29 HydrophobicContact CG2-CB 3.99Å; I25-I29 HydrophobicContact CG2-CG2 4.06Å; P26-I29 HydrophobicContact CB-CG1 4.2Å; P26-I29 HydrophobicContact CG-CD1 3.98Å; P26-I29 HydrophobicContact CG-CG1 4.23Å; P26-I29 WeakPolarHBondContact O-CA 3.31Å; P26-I29 WeakPolarHBondContact O-CB 3.23Å; P26-I29 PolarHBondContact O-N 3.46Å; E27-I29 VanDerWaalsContact C-N 3.33Å; E27-I29 PolarHBondContact O-N 3.05Å; I29-R32 PolarHBondContact O-N 3.18Å; I29-T33 WeakPolarHBondContact O-CG2 3.44Å; I29-T33 PolarHBondContact O-N 3.04Å; I29-T33 PolarHBondContact O-OG1 2.98Å; I29-T33 VanDerWaalsContact O-OG1 3.04Å
30	T	61.3	Low	65	Low	64 Å²	64	119.9 Å²	119.9	39%	0.393	62%	0.615	S	S	.	*	H	α-helix	trans	-65.6	-38.6	176.5	52.1	0	0	0	0	112.2	I25 P26 E27 T33 A34	I25-T30 HydrophobicContact CB-CG2 4.19Å; I25-T30 HydrophobicContact CG2-CG2 3.76Å; P26-T30 PolarHBondContact O-N 3.16Å; E27-T30 WeakPolarHBondContact CA-OG1 3.18Å; E27-T30 PolarHBondContact O-OG1 3.37Å; E27-T30 VanDerWaalsContact O-OG1 3.05Å; T30-T33 PolarHBondContact O-OG1 2.79Å; T30-T33 VanDerWaalsContact O-OG1 3.07Å; T30-A34 VanDerWaalsContact O-CB 3.23Å; T30-A34 WeakPolarHBondContact O-CB 3.48Å; T30-A34 PolarHBondContact O-N 2.96Å
31	M	61	Low	66.7	Low	129 Å²	129	113.4 Å²	113.4	64%	0.635	59%	0.594	S	S	*	*	H	α-helix	trans	-70.6	-38.4	176.9	-162.6	-178.7	-64.9	0	0	112	E27 A34 V35	E27-M31 WeakPolarHBondContact O-CB 2.98Å; E27-M31 PolarHBondContact O-N 3.42Å; M31-A34 PolarHBondContact O-N 3.34Å; M31-V35 WeakPolarHBondContact O-CG2 3.4Å; M31-V35 PolarHBondContact O-N 3.1Å
32	R	63.7	Low	68.6	Low	176 Å²	176	107.9 Å²	107.9	66%	0.664	58%	0.582	S	S	*	*	H	α-helix	trans	-64	-44.1	173.5	-78.9	173.3	178.9	-165.8	-0.1	112.3	Q28 I29 V35 L36	Q28-R32 VanDerWaalsContact O-CB 3.24Å; Q28-R32 WeakPolarHBondContact O-CB 3.43Å; Q28-R32 WeakPolarHBondContact O-CD 3.48Å; Q28-R32 WeakPolarHBondContact O-CG 3.49Å; Q28-R32 PolarHBondContact O-N 3.46Å; Q28-R32 VanDerWaalsContact O-N 3.08Å; I29-R32 PolarHBondContact O-N 3.18Å; R32-V35 PolarHBondContact O-N 3.42Å; R32-L36 WeakPolarHBondContact O-CB 3.46Å; R32-L36 WeakPolarHBondContact O-CD1 3.47Å; R32-L36 WeakPolarHBondContact O-CG 3.38Å; R32-L36 PolarHBondContact O-N 2.77Å
33	T	63.7	Low	70.1	Confident	71 Å²	71	109 Å²	109	44%	0.436	58%	0.577	S	S	.	*	H	α-helix	trans	-68.1	-36.3	177.6	52.2	0	0	0	0	112.2	I29 T30 V35 L36 L37	I29-T33 WeakPolarHBondContact O-CG2 3.44Å; I29-T33 PolarHBondContact O-N 3.04Å; I29-T33 PolarHBondContact O-OG1 2.98Å; I29-T33 VanDerWaalsContact O-OG1 3.04Å; T30-T33 PolarHBondContact O-OG1 2.79Å; T30-T33 VanDerWaalsContact O-OG1 3.07Å; T33-V35 VanDerWaalsContact C-N 3.27Å; T33-V35 PolarHBondContact O-N 3.31Å; T33-L36 PolarHBondContact O-N 3.35Å; T33-L37 PolarHBondContact O-N 3.02Å; T33-L37 VanDerWaalsContact O-N 3.1Å
34	A	72.5	Confident	71.3	Confident	63 Å²	63	102.7 Å²	102.7	52%	0.521	56%	0.557	S	S	.	*	H	α-helix	trans	-64.2	-25.8	174.5	0	0	0	0	0	114	T30 M31 P38	T30-A34 VanDerWaalsContact O-CB 3.23Å; T30-A34 WeakPolarHBondContact O-CB 3.48Å; T30-A34 PolarHBondContact O-N 2.96Å; M31-A34 PolarHBondContact O-N 3.34Å; A34-P38 WeakPolarHBondContact O-CD 3.45Å; A34-P38 VanDerWaalsContact O-CG 3.31Å; A34-P38 WeakPolarHBondContact O-CG 3.41Å
35	V	76.9	Confident	72.7	Confident	95 Å²	95	99.5 Å²	99.5	58%	0.576	54%	0.544	S	S	*	.	H	α-helix	trans	-89.2	-33.5	173.4	175.5	0	0	0	0	112.1	M31 R32 T33 P38 L39	M31-V35 WeakPolarHBondContact O-CG2 3.4Å; M31-V35 PolarHBondContact O-N 3.1Å; R32-V35 PolarHBondContact O-N 3.42Å; T33-V35 VanDerWaalsContact C-N 3.27Å; T33-V35 PolarHBondContact O-N 3.31Å; V35-P38 WeakPolarHBondContact O-CD 3.39Å; V35-P38 WeakPolarHBondContact O-CG 3.48Å; V35-L39 WeakPolarHBondContact O-CB 3.44Å; V35-L39 PolarHBondContact O-N 3.45Å
36	L	78.3	Confident	73.7	Confident	93 Å²	93	97.4 Å²	97.4	49%	0.487	54%	0.541	S	S	.	.	H	α-helix	trans	-65.9	-41.2	177.8	-83.1	160.5	0	0	0	113	R32 T33 L39 L40	R32-L36 WeakPolarHBondContact O-CB 3.46Å; R32-L36 WeakPolarHBondContact O-CD1 3.47Å; R32-L36 WeakPolarHBondContact O-CG 3.38Å; R32-L36 PolarHBondContact O-N 2.77Å; T33-L36 PolarHBondContact O-N 3.35Å; L36-L39 PolarHBondContact O-N 2.97Å; L36-L40 WeakPolarHBondContact O-CB 3.12Å; L36-L40 WeakPolarHBondContact O-CG 3.24Å; L36-L40 PolarHBondContact O-N 3.32Å
37	L	80.8	Confident	75	Confident	120 Å²	120	99.7 Å²	99.7	63%	0.628	55%	0.546	S	S	*	.	H	α-helix	trans	-58.4	-53.9	179.8	-80.1	162.7	0	0	0	114.2	T33 L39 L40 A41	T33-L37 PolarHBondContact O-N 3.02Å; T33-L37 VanDerWaalsContact O-N 3.1Å; L37-L39 VanDerWaalsContact C-N 3.29Å; L37-L39 PolarHBondContact O-N 3.38Å; L37-L40 PolarHBondContact O-N 2.85Å; L37-A41 WeakPolarHBondContact O-CB 3.34Å; L37-A41 PolarHBondContact O-N 3.35Å
38	P	84.6	Confident	75.9	Confident	64 Å²	64	95.1 Å²	95.1	42%	0.416	54%	0.535	S	S	.	.	H	α-helix	trans	-66.6	-30.3	177.3	25.9	-34.3	0	0	0	112.3	A34 V35 A41 L42	A34-P38 WeakPolarHBondContact O-CD 3.45Å; A34-P38 VanDerWaalsContact O-CG 3.31Å; A34-P38 WeakPolarHBondContact O-CG 3.41Å; V35-P38 WeakPolarHBondContact O-CD 3.39Å; V35-P38 WeakPolarHBondContact O-CG 3.48Å; P38-A41 PolarHBondContact O-N 3.39Å; P38-L42 WeakPolarHBondContact O-CB 3.44Å; P38-L42 WeakPolarHBondContact O-CD1 3.3Å; P38-L42 PolarHBondContact O-N 3.08Å
39	L	84.4	Confident	76.8	Confident	115 Å²	115	91.8 Å²	91.8	60%	0.602	52%	0.524	S	S	*	.	H	α-helix	trans	-68	-43.3	175.3	-173	67.6	0	0	0	112	V35 L36 L37 A41 L42 L43	V35-L39 WeakPolarHBondContact O-CB 3.44Å; V35-L39 PolarHBondContact O-N 3.45Å; L36-L39 PolarHBondContact O-N 2.97Å; L37-L39 VanDerWaalsContact C-N 3.29Å; L37-L39 PolarHBondContact O-N 3.38Å; L39-A41 VanDerWaalsContact C-N 3.35Å; L39-L42 PolarHBondContact O-N 3.16Å; L39-L43 WeakPolarHBondContact O-CB 3.4Å; L39-L43 PolarHBondContact O-N 2.67Å
40	L	87.1	Confident	78.1	Confident	108 Å²	108	90.5 Å²	90.5	57%	0.565	52%	0.523	S	S	*	.	H	α-helix	trans	-62.5	-41.3	173	-79.5	160.6	0	0	0	111.5	L36 L37 L43 A44	L36-L40 WeakPolarHBondContact O-CB 3.12Å; L36-L40 WeakPolarHBondContact O-CG 3.24Å; L36-L40 PolarHBondContact O-N 3.32Å; L37-L40 PolarHBondContact O-N 2.85Å; L40-L43 PolarHBondContact O-N 2.88Å; L40-A44 WeakPolarHBondContact O-CB 3.36Å; L40-A44 PolarHBondContact O-N 2.85Å
41	A	86.4	Confident	79.3	Confident	53 Å²	53	94.2 Å²	94.2	44%	0.438	53%	0.534	S	S	.	.	H	α-helix	trans	-64.1	-44.9	174.9	0	0	0	0	0	111.9	L37 P38 L39 L43 A44 V45	L37-A41 WeakPolarHBondContact O-CB 3.34Å; L37-A41 PolarHBondContact O-N 3.35Å; P38-A41 PolarHBondContact O-N 3.39Å; L39-A41 VanDerWaalsContact C-N 3.35Å; A41-L43 VanDerWaalsContact C-N 3.34Å; A41-L43 PolarHBondContact O-N 3.48Å; A41-A44 PolarHBondContact O-N 3.25Å; A41-V45 WeakPolarHBondContact O-CB 3.4Å; A41-V45 VanDerWaalsContact O-CG2 3.28Å; A41-V45 WeakPolarHBondContact O-CG2 3.41Å; A41-V45 PolarHBondContact O-N 3.43Å
42	L	86.2	Confident	80.6	Confident	125 Å²	125	90.4 Å²	90.4	65%	0.654	52%	0.523	S	S	*	.	H	α-helix	trans	-60.3	-42.9	174.4	-108.9	115.6	0	0	0	111.9	P38 L39 V45 A46	P38-L42 WeakPolarHBondContact O-CB 3.44Å; P38-L42 WeakPolarHBondContact O-CD1 3.3Å; P38-L42 PolarHBondContact O-N 3.08Å; L39-L42 PolarHBondContact O-N 3.16Å; L42-V45 PolarHBondContact O-N 2.9Å; L42-A46 VanDerWaalsContact O-CB 3.3Å; L42-A46 WeakPolarHBondContact O-CB 3.28Å; L42-A46 PolarHBondContact O-N 2.94Å
43	L	85.1	Confident	81.9	Confident	100 Å²	100	86.7 Å²	86.7	52%	0.524	52%	0.516	S	S	.	.	H	α-helix	trans	-65.3	-43.6	179	-166.3	75.4	0	0	0	111.3	L39 L40 A41 A46 Q47	L39-L43 WeakPolarHBondContact O-CB 3.4Å; L39-L43 PolarHBondContact O-N 2.67Å; L40-L43 PolarHBondContact O-N 2.88Å; A41-L43 VanDerWaalsContact C-N 3.34Å; A41-L43 PolarHBondContact O-N 3.48Å; L43-A46 PolarHBondContact O-N 2.92Å; L43-Q47 WeakPolarHBondContact O-CB 3.37Å; L43-Q47 WeakPolarHBondContact O-CG 3.45Å; L43-Q47 PolarHBondContact O-N 3.38Å
44	A	83.6	Confident	83.2	Confident	55 Å²	55	86.7 Å²	86.7	46%	0.455	52%	0.516	S	S	.	.	H	α-helix	trans	-64.4	-41.3	176.3	0	0	0	0	0	112.1	L40 A41 A48	L40-A44 WeakPolarHBondContact O-CB 3.36Å; L40-A44 PolarHBondContact O-N 2.85Å; A41-A44 PolarHBondContact O-N 3.25Å; A44-A48 VanDerWaalsContact O-CB 3.3Å; A44-A48 WeakPolarHBondContact O-CB 3.3Å; A44-A48 PolarHBondContact O-N 3.47Å
45	V	82.4	Confident	84.2	Confident	93 Å²	93	84.4 Å²	84.4	56%	0.564	50%	0.496	S	S	*	.	H	α-helix	trans	-64.5	-44.9	174.3	169.7	0	0	0	0	110.9	A41 L42 Q47 A48 V49	A41-V45 WeakPolarHBondContact O-CB 3.4Å; A41-V45 VanDerWaalsContact O-CG2 3.28Å; A41-V45 WeakPolarHBondContact O-CG2 3.41Å; A41-V45 PolarHBondContact O-N 3.43Å; L42-V45 PolarHBondContact O-N 2.9Å; V45-Q47 PolarHBondContact O-N 2.91Å; V45-A48 PolarHBondContact O-N 3.38Å; V45-V49 HydrophobicContact CG1-CG2 4.42Å; V45-V49 WeakPolarHBondContact O-CG2 3.39Å; V45-V49 PolarHBondContact O-N 3.17Å
46	A	79.4	Confident	85.1	Confident	57 Å²	57	83.2 Å²	83.2	47%	0.471	49%	0.485	S	S	.	.	H	α-helix	trans	-62.1	-42.4	177.6	0	0	0	0	0	112.2	L42 L43 V49 S50	L42-A46 VanDerWaalsContact O-CB 3.3Å; L42-A46 WeakPolarHBondContact O-CB 3.28Å; L42-A46 PolarHBondContact O-N 2.94Å; L43-A46 PolarHBondContact O-N 2.92Å; A46-V49 PolarHBondContact O-N 2.78Å; A46-S50 PolarHBondContact O-N 3.47Å; A46-S50 PolarHBondContact O-OG 3.4Å
47	Q	83.2	Confident	85.9	Confident	121 Å²	121	85.3 Å²	85.3	57%	0.565	49%	0.492	S	S	*	.	H	α-helix	trans	-63.8	-43.1	174	-75.3	-179.8	-21.3	0	0	112	L43 V45 S50 F51	L43-Q47 WeakPolarHBondContact O-CB 3.37Å; L43-Q47 WeakPolarHBondContact O-CG 3.45Å; L43-Q47 PolarHBondContact O-N 3.38Å; V45-Q47 PolarHBondContact O-N 2.91Å; Q47-S50 WeakPolarHBondContact CA-OG 3.06Å; Q47-S50 PolarHBondContact O-N 2.91Å; Q47-S50 PolarHBondContact O-OG 2.88Å; Q47-F51 WeakPolarHBondContact O-CB 3.3Å; Q47-F51 PolarHBondContact O-N 3.33Å
48	A	77.9	Confident	86.6	Confident	59 Å²	59	82.6 Å²	82.6	49%	0.488	48%	0.476	S	S	.	.	H	α-helix	trans	-63.5	-41.1	177.4	0	0	0	0	0	112.5	A44 V45 F51 A52	A44-A48 VanDerWaalsContact O-CB 3.3Å; A44-A48 WeakPolarHBondContact O-CB 3.3Å; A44-A48 PolarHBondContact O-N 3.47Å; V45-A48 PolarHBondContact O-N 3.38Å; A48-F51 PolarHBondContact O-N 2.97Å; A48-A52 WeakPolarHBondContact O-CB 3.41Å; A48-A52 PolarHBondContact O-N 3.26Å
49	V	75.2	Confident	87.2	Confident	76 Å²	76	79.6 Å²	79.6	46%	0.461	46%	0.456	S	S	.	.	H	α-helix	trans	-61.5	-51.9	173.1	170.9	0	0	0	0	110.2	V45 A46 F51 A52 D53	V45-V49 HydrophobicContact CG1-CG2 4.42Å; V45-V49 WeakPolarHBondContact O-CG2 3.39Å; V45-V49 PolarHBondContact O-N 3.17Å; A46-V49 PolarHBondContact O-N 2.78Å; V49-F51 VanDerWaalsContact C-N 3.25Å; V49-F51 PolarHBondContact O-N 3.37Å; V49-A52 WeakPolarHBondContact O-CB 3.38Å; V49-A52 PolarHBondContact O-N 2.99Å; V49-D53 WeakPolarHBondContact CG1-OD2 3.13Å; V49-D53 VanDerWaalsContact O-CG 3.31Å; V49-D53 PolarHBondContact O-N 3.41Å
50	S	85.6	Confident	87.8	Confident	64 Å²	64	78.3 Å²	78.3	45%	0.448	45%	0.447	S	S	.	.	H	α-helix	trans	-60.6	-32.5	179.7	67.2	0	0	0	0	113.9	A46 Q47 V54	A46-S50 PolarHBondContact O-N 3.47Å; A46-S50 PolarHBondContact O-OG 3.4Å; Q47-S50 WeakPolarHBondContact CA-OG 3.06Å; Q47-S50 PolarHBondContact O-N 2.91Å; Q47-S50 PolarHBondContact O-OG 2.88Å; S50-V54 WeakPolarHBondContact O-CG2 3.49Å; S50-V54 PolarHBondContact O-N 2.72Å
51	F	87.7	Confident	88.2	Confident	142 Å²	142	76.8 Å²	76.8	62%	0.623	44%	0.442	S	S	*	.	H	α-helix	trans	-72.8	-40.5	174.6	179.7	-99.3	0	0	0	112	Q47 A48 V49 V54 V55	Q47-F51 WeakPolarHBondContact O-CB 3.3Å; Q47-F51 PolarHBondContact O-N 3.33Å; A48-F51 PolarHBondContact O-N 2.97Å; V49-F51 VanDerWaalsContact C-N 3.25Å; V49-F51 PolarHBondContact O-N 3.37Å; F51-V54 PolarHBondContact O-N 3.4Å; F51-V55 HydrophobicContact CD1-CG2 4.28Å; F51-V55 HydrophobicContact CE1-CG2 3.8Å; F51-V55 HydrophobicContact CE2-CG2 4.26Å; F51-V55 HydrophobicContact CZ-CG2 3.79Å; F51-V55 WeakPolarHBondContact O-CG2 3.45Å; F51-V55 PolarHBondContact O-N 3.02Å
52	A	88.2	Confident	88.8	Confident	48 Å²	48	74.5 Å²	74.5	40%	0.397	42%	0.423	S	S	.	.	H	α-helix	trans	-63.2	-42.4	175.3	0	0	0	0	0	111.6	A48 V49 V55 M56	A48-A52 WeakPolarHBondContact O-CB 3.41Å; A48-A52 PolarHBondContact O-N 3.26Å; V49-A52 WeakPolarHBondContact O-CB 3.38Å; V49-A52 PolarHBondContact O-N 2.99Å; A52-V55 PolarHBondContact O-N 3.4Å; A52-M56 VanDerWaalsContact O-CG 3.31Å; A52-M56 WeakPolarHBondContact O-CG 3.31Å; A52-M56 PolarHBondContact O-N 2.99Å
53	D	90.5	Very high	89.3	Confident	99 Å²	99	70.3 Å²	70.3	53%	0.529	40%	0.399	S	S	.	.	H	α-helix	trans	-60.1	-46.5	177.2	-65.7	-29.3	0	0	0	111.4	V49 M56 E57	V49-D53 WeakPolarHBondContact CG1-OD2 3.13Å; V49-D53 VanDerWaalsContact O-CG 3.31Å; V49-D53 PolarHBondContact O-N 3.41Å; D53-M56 PolarHBondContact O-N 2.89Å; D53-E57 PolarHBondContact O-N 3.05Å
54	V	91.7	Very high	89.9	Confident	71 Å²	71	72.2 Å²	72.2	43%	0.43	41%	0.409	S	S	.	.	H	α-helix	trans	-60.8	-46	175.7	169.6	0	0	0	0	111.7	S50 F51 M56 E57 E58	S50-V54 WeakPolarHBondContact O-CG2 3.49Å; S50-V54 PolarHBondContact O-N 2.72Å; F51-V54 PolarHBondContact O-N 3.4Å; V54-M56 VanDerWaalsContact C-N 3.28Å; V54-M56 PolarHBondContact O-N 3.31Å; V54-E57 PolarHBondContact O-N 3.47Å; V54-E58 HydrophobicContact CG1-CG 4.4Å; V54-E58 WeakPolarHBondContact O-CB 3.49Å; V54-E58 VanDerWaalsContact O-CG 3.3Å; V54-E58 WeakPolarHBondContact O-CG 3.46Å; V54-E58 PolarHBondContact O-N 3.45Å
55	V	93.4	Very high	90.4	Very high	15 Å²	15	75.8 Å²	75.8	9%	0.091	42%	0.416	C	S	.	.	H	α-helix	trans	-61.1	-38.8	177.7	165.1	0	0	0	0	111.5	F51 A52 W59 L80 N84	F51-V55 HydrophobicContact CD1-CG2 4.28Å; F51-V55 HydrophobicContact CE1-CG2 3.8Å; F51-V55 HydrophobicContact CE2-CG2 4.26Å; F51-V55 HydrophobicContact CZ-CG2 3.79Å; F51-V55 WeakPolarHBondContact O-CG2 3.45Å; F51-V55 PolarHBondContact O-N 3.02Å; A52-V55 PolarHBondContact O-N 3.4Å; V55-W59 VanDerWaalsContact O-CB 3.28Å; V55-W59 WeakPolarHBondContact O-CB 3.46Å; V55-W59 PolarHBondContact O-N 2.67Å; V55-L80 HydrophobicContact CG1-CD1 4.19Å; V55-N84 WeakPolarHBondContact CG1-ND2 3.47Å; V55-N84 WeakPolarHBondContact CG1-OD1 3.45Å
56	M	94.9	Very high	91	Very high	70 Å²	70	72.8 Å²	72.8	35%	0.345	40%	0.396	S	S	.	.	H	α-helix	trans	-70.8	-39.9	176.7	-69.6	-57.2	-58.4	0	0	112.1	A52 D53 V54 W59 H60 L80	A52-M56 VanDerWaalsContact O-CG 3.31Å; A52-M56 WeakPolarHBondContact O-CG 3.31Å; A52-M56 PolarHBondContact O-N 2.99Å; D53-M56 PolarHBondContact O-N 2.89Å; V54-M56 VanDerWaalsContact C-N 3.28Å; V54-M56 PolarHBondContact O-N 3.31Å; M56-W59 WeakPolarHBondContact O-CB 3.34Å; M56-W59 PolarHBondContact O-N 2.93Å; M56-H60 WeakPolarHBondContact O-CB 3.47Å; M56-H60 PolarHBondContact O-CD2 2.84Å; M56-H60 VanDerWaalsContact O-CG 3.3Å; M56-H60 PolarHBondContact O-N 2.97Å; M56-L80 HydrophobicContact SD-CD2 3.76Å
57	E	94.7	Very high	91.7	Very high	136 Å²	136	81 Å²	81	64%	0.636	42%	0.415	S	S	*	.	H	α-helix	trans	-62.8	-44.7	175.5	-175	174.7	-167.8	0	0	111.9	D53 V54 W59 H60 T61	D53-E57 PolarHBondContact O-N 3.05Å; V54-E57 PolarHBondContact O-N 3.47Å; E57-W59 VanDerWaalsContact C-N 3.34Å; E57-W59 PolarHBondContact O-N 3.35Å; E57-H60 PolarHBondContact O-N 2.93Å; E57-T61 WeakPolarHBondContact O-CB 3.42Å; E57-T61 PolarHBondContact O-N 3.3Å; E57-T61 PolarHBondContact O-OG1 3.03Å
58	E	95.9	Very high	92.3	Very high	64 Å²	64	77.3 Å²	77.3	30%	0.299	40%	0.397	S	S	.	.	H	α-helix	trans	-62.8	-40.2	174.2	-69.8	174.1	139.5	0	0	111.8	V54 T61 F62 K87	V54-E58 HydrophobicContact CG1-CG 4.4Å; V54-E58 WeakPolarHBondContact O-CB 3.49Å; V54-E58 VanDerWaalsContact O-CG 3.3Å; V54-E58 WeakPolarHBondContact O-CG 3.46Å; V54-E58 PolarHBondContact O-N 3.45Å; E58-T61 PolarHBondContact O-N 2.89Å; E58-F62 WeakPolarHBondContact O-CB 3.38Å; E58-F62 PolarHBondContact O-N 3.26Å; E58-K87 WeakPolarHBondContact OE1-CE 3.19Å; E58-K87 IonicContact OE1-NZ 2.72Å; E58-K87 PolarHBondContact OE1-NZ 3.44Å; E58-K87 IonicContact OE2-NZ 3.29Å; E58-K87 PolarHBondContact OE2-NZ 2.84Å
59	W	97.6	Very high	93.2	Very high	0 Å²	0	81.9 Å²	81.9	0%	0	41%	0.413	C	S	.	.	H	α-helix	trans	-64.4	-46.4	175.1	176.2	-124.8	0	0	0	112.6	V55 M56 E57 T61 F62 K63 Y70 E76 R79 L80 F83 D113	V55-W59 VanDerWaalsContact O-CB 3.28Å; V55-W59 WeakPolarHBondContact O-CB 3.46Å; V55-W59 PolarHBondContact O-N 2.67Å; M56-W59 WeakPolarHBondContact O-CB 3.34Å; M56-W59 PolarHBondContact O-N 2.93Å; E57-W59 VanDerWaalsContact C-N 3.34Å; E57-W59 PolarHBondContact O-N 3.35Å; W59-T61 VanDerWaalsContact C-N 3.29Å; W59-T61 PolarHBondContact O-N 2.94Å; W59-F62 AromaticContact CE3-CD1 3.63Å; W59-F62 HydrophobicContact CE3-CD1 3.63Å; W59-F62 HydrophobicContact CE3-CE1 4.27Å; W59-F62 HydrophobicContact CE3-CG 4.39Å; W59-F62 HydrophobicContact CH2-CD1 4.4Å; W59-F62 HydrophobicContact CH2-CE1 4.34Å; W59-F62 AromaticContact CZ3-CD1 3.42Å; W59-F62 HydrophobicContact CZ3-CD1 3.42Å; W59-F62 VanDerWaalsContact CZ3-CD1 3.42Å; W59-F62 AromaticContact CZ3-CE1 3.59Å; W59-F62 HydrophobicContact CZ3-CE1 3.59Å; W59-F62 HydrophobicContact CZ3-CG 4.48Å; W59-F62 PolarHBondContact O-N 3.38Å; W59-K63 HydrophobicContact CD2-CD 4.33Å; W59-K63 HydrophobicContact CD2-CG 4.07Å; W59-K63 HydrophobicContact CE3-CG 4.39Å; W59-K63 HydrophobicContact CH2-CG 4.49Å; W59-K63 HydrophobicContact CZ2-CD 3.99Å; W59-K63 HydrophobicContact CZ2-CG 4.17Å; W59-K63 WeakPolarHBondContact O-CG 3.42Å; W59-K63 PolarHBondContact O-N 3.25Å; W59-Y70 AromaticContact CH2-CE2 3.63Å; W59-Y70 HydrophobicContact CH2-CE2 3.63Å; W59-Y70 AromaticContact CH2-CZ 3.61Å; W59-Y70 WeakPolarHBondContact CH2-OH 3.38Å; W59-Y70 HydrophobicContact CZ2-CD2 4.23Å; W59-Y70 AromaticContact CZ2-CE2 3.34Å; W59-Y70 HydrophobicContact CZ2-CE2 3.34Å; W59-Y70 AromaticContact CZ2-CZ 3.85Å; W59-E76 HydrophobicContact CZ2-CG 3.91Å; W59-E76 PolarHBondContact NE1-OE1 3.31Å; W59-R79 HydrophobicContact CH2-CB 3.78Å; W59-R79 HydrophobicContact CZ2-CB 4.19Å; W59-L80 HydrophobicContact CB-CD1 3.74Å; W59-L80 HydrophobicContact CD2-CB 4.2Å; W59-L80 HydrophobicContact CD2-CD1 3.74Å; W59-L80 HydrophobicContact CE3-CD1 4.17Å; W59-L80 HydrophobicContact CG-CD1 3.58Å; W59-L80 HydrophobicContact CH2-CB 4.35Å; W59-L80 HydrophobicContact CZ2-CB 3.87Å; W59-F83 HydrophobicContact CE3-CB 3.98Å; W59-F83 AromaticContact CE3-CD1 3.78Å; W59-F83 HydrophobicContact CE3-CD1 3.78Å; W59-F83 HydrophobicContact CE3-CD2 4.23Å; W59-F83 HydrophobicContact CE3-CE1 4.33Å; W59-F83 AromaticContact CE3-CG 3.73Å; W59-F83 HydrophobicContact CE3-CG 3.73Å; W59-F83 HydrophobicContact CH2-CB 4.48Å; W59-F83 HydrophobicContact CZ3-CB 3.59Å; W59-F83 HydrophobicContact CZ3-CD1 4.28Å; W59-F83 HydrophobicContact CZ3-CD2 4.18Å; W59-F83 AromaticContact CZ3-CG 3.77Å; W59-F83 HydrophobicContact CZ3-CG 3.77Å; W59-D113 HydrophobicContact CH2-CB 4.38Å; W59-D113 HydrophobicContact CZ3-CB 4.44Å
60	H	96.9	Very high	94.2	Very high	89 Å²	89	79.6 Å²	79.6	41%	0.412	40%	0.397	S	S	.	.	H	α-helix	trans	-60.5	-41.4	175.6	-71.8	-53.5	0	0	0	111.1	M56 E57 K63 L64	M56-H60 WeakPolarHBondContact O-CB 3.47Å; M56-H60 PolarHBondContact O-CD2 2.84Å; M56-H60 VanDerWaalsContact O-CG 3.3Å; M56-H60 PolarHBondContact O-N 2.97Å; E57-H60 PolarHBondContact O-N 2.93Å; H60-K63 PolarHBondContact O-N 2.89Å; H60-L64 WeakPolarHBondContact O-CB 3.48Å; H60-L64 VanDerWaalsContact O-CG 3.25Å; H60-L64 WeakPolarHBondContact O-CG 3.34Å; H60-L64 PolarHBondContact O-N 2.72Å
61	T	96.6	Very high	94.7	Very high	75 Å²	75	85.1 Å²	85.1	46%	0.46	42%	0.415	S	S	.	.	H	α-helix	trans	-61.1	-50.4	174.7	-57.1	0	0	0	0	111.5	E57 E58 W59 K63 L64 E65	E57-T61 WeakPolarHBondContact O-CB 3.42Å; E57-T61 PolarHBondContact O-N 3.3Å; E57-T61 PolarHBondContact O-OG1 3.03Å; E58-T61 PolarHBondContact O-N 2.89Å; W59-T61 VanDerWaalsContact C-N 3.29Å; W59-T61 PolarHBondContact O-N 2.94Å; T61-K63 PolarHBondContact O-N 3.2Å; T61-L64 PolarHBondContact O-N 3.11Å; T61-L64 VanDerWaalsContact O-N 3.17Å; T61-E65 WeakPolarHBondContact O-CB 3.45Å; T61-E65 PolarHBondContact O-N 3.27Å
62	F	97.6	Very high	95.1	Very high	6 Å²	6	81.7 Å²	81.7	3%	0.026	40%	0.404	C	S	.	.	H	α-helix	trans	-55.4	-46.5	176.1	170.4	-94.6	0	0	0	112.6	E58 W59 L64 H66 K68 F83 V108 N109 A112 D113	E58-F62 WeakPolarHBondContact O-CB 3.38Å; E58-F62 PolarHBondContact O-N 3.26Å; W59-F62 AromaticContact CE3-CD1 3.63Å; W59-F62 HydrophobicContact CE3-CD1 3.63Å; W59-F62 HydrophobicContact CE3-CE1 4.27Å; W59-F62 HydrophobicContact CE3-CG 4.39Å; W59-F62 HydrophobicContact CH2-CD1 4.4Å; W59-F62 HydrophobicContact CH2-CE1 4.34Å; W59-F62 AromaticContact CZ3-CD1 3.42Å; W59-F62 HydrophobicContact CZ3-CD1 3.42Å; W59-F62 VanDerWaalsContact CZ3-CD1 3.42Å; W59-F62 AromaticContact CZ3-CE1 3.59Å; W59-F62 HydrophobicContact CZ3-CE1 3.59Å; W59-F62 HydrophobicContact CZ3-CG 4.48Å; W59-F62 PolarHBondContact O-N 3.38Å; F62-L64 VanDerWaalsContact C-N 3.35Å; F62-L64 PolarHBondContact O-N 3.1Å; F62-H66 AromaticContact CD2-CD2 3.46Å; F62-H66 VanDerWaalsContact CD2-CD2 3.46Å; F62-H66 WeakPolarHBondContact CD2-CD2 3.33Å; F62-H66 AromaticContact CD2-NE2 3.99Å; F62-H66 AromaticContact CE2-CD2 3.4Å; F62-H66 VanDerWaalsContact CE2-CD2 3.4Å; F62-H66 WeakPolarHBondContact CE2-CD2 3.17Å; F62-H66 PolarHBondContact O-N 3.47Å; F62-H66 VanDerWaalsContact O-N 3.09Å; F62-K68 HydrophobicContact CD1-CG 4.4Å; F62-K68 HydrophobicContact CE1-CD 4.46Å; F62-K68 HydrophobicContact CE1-CG 3.86Å; F62-K68 HydrophobicContact CZ-CG 4.46Å; F62-F83 HydrophobicContact CB-CD2 4.49Å; F62-F83 HydrophobicContact CB-CE2 3.77Å; F62-F83 HydrophobicContact CB-CZ 3.96Å; F62-F83 HydrophobicContact CD1-CD2 4.02Å; F62-F83 HydrophobicContact CD1-CE2 4.12Å; F62-F83 AromaticContact CD2-CD2 3.82Å; F62-F83 HydrophobicContact CD2-CD2 3.82Å; F62-F83 AromaticContact CD2-CE2 3.38Å; F62-F83 HydrophobicContact CD2-CE2 3.38Å; F62-F83 HydrophobicContact CD2-CZ 4.36Å; F62-F83 HydrophobicContact CE1-CD2 4.18Å; F62-F83 AromaticContact CE2-CD2 3.96Å; F62-F83 HydrophobicContact CE2-CD2 3.96Å; F62-F83 AromaticContact CE2-CE2 3.94Å; F62-F83 HydrophobicContact CE2-CE2 3.94Å; F62-F83 AromaticContact CG-CD2 3.84Å; F62-F83 HydrophobicContact CG-CD2 3.84Å; F62-F83 AromaticContact CG-CE2 3.48Å; F62-F83 HydrophobicContact CG-CE2 3.48Å; F62-F83 VanDerWaalsContact CG-CE2 3.48Å; F62-F83 HydrophobicContact CG-CZ 4.17Å; F62-F83 HydrophobicContact CZ-CD2 4.16Å; F62-V108 HydrophobicContact CD2-CG1 3.74Å; F62-V108 HydrophobicContact CE2-CG1 4.05Å; F62-N109 WeakPolarHBondContact CE2-O 3.17Å; F62-A112 HydrophobicContact CE2-CB 3.72Å; F62-A112 HydrophobicContact CZ-CB 4.12Å; F62-D113 HydrophobicContact CE1-CB 3.87Å; F62-D113 HydrophobicContact CZ-CB 3.96Å
63	K	97.8	Very high	95.5	Very high	36 Å²	36	85.7 Å²	85.7	16%	0.157	41%	0.414	C	S	.	.	H	α-helix	trans	-63	-41	178	-68.8	-165.2	-50	-176.2	0	111.9	W59 H60 T61 R67 K68 Y70 E76	W59-K63 HydrophobicContact CD2-CD 4.33Å; W59-K63 HydrophobicContact CD2-CG 4.07Å; W59-K63 HydrophobicContact CE3-CG 4.39Å; W59-K63 HydrophobicContact CH2-CG 4.49Å; W59-K63 HydrophobicContact CZ2-CD 3.99Å; W59-K63 HydrophobicContact CZ2-CG 4.17Å; W59-K63 WeakPolarHBondContact O-CG 3.42Å; W59-K63 PolarHBondContact O-N 3.25Å; H60-K63 PolarHBondContact O-N 2.89Å; T61-K63 PolarHBondContact O-N 3.2Å; K63-R67 CarbonylContact O-C 3.57Å; K63-R67 VanDerWaalsContact O-CA 3.28Å; K63-R67 WeakPolarHBondContact O-CA 3.39Å; K63-R67 PolarHBondContact O-N 2.96Å; K63-K68 HydrophobicContact CB-CB 4.14Å; K63-K68 HydrophobicContact CG-CB 4.08Å; K63-K68 PolarHBondContact O-N 3.33Å; K63-Y70 HydrophobicContact CD-CD2 4.18Å; K63-Y70 HydrophobicContact CD-CE2 3.61Å; K63-Y70 HydrophobicContact CG-CE2 4.05Å; K63-E76 IonicContact NZ-OE1 3.11Å; K63-E76 PolarHBondContact NZ-OE1 2.87Å; K63-E76 IonicContact NZ-OE2 2.63Å; K63-E76 PolarHBondContact NZ-OE2 2.88Å
64	L	96.3	Very high	95.8	Very high	140 Å²	140	86.1 Å²	86.1	73%	0.733	42%	0.42	S	S	*	.	H	α-helix	trans	-68.5	-47.2	179.1	-72.1	169.6	0	0	0	111.9	H60 T61 F62 H66 R67	H60-L64 WeakPolarHBondContact O-CB 3.48Å; H60-L64 VanDerWaalsContact O-CG 3.25Å; H60-L64 WeakPolarHBondContact O-CG 3.34Å; H60-L64 PolarHBondContact O-N 2.72Å; T61-L64 PolarHBondContact O-N 3.11Å; T61-L64 VanDerWaalsContact O-N 3.17Å; F62-L64 VanDerWaalsContact C-N 3.35Å; F62-L64 PolarHBondContact O-N 3.1Å; L64-H66 PolarHBondContact O-N 3.42Å; L64-R67 PolarHBondContact O-N 3.21Å
65	E	95.2	Very high	96.1	Very high	131 Å²	131	85.7 Å²	85.7	61%	0.612	41%	0.414	S	S	*	.	H	α-helix	trans	-62	-44	-178.7	-171.5	-178.8	155.6	0	0	112	T61	T61-E65 WeakPolarHBondContact O-CB 3.45Å; T61-E65 PolarHBondContact O-N 3.27Å
66	H	94.5	Very high	96.3	Very high	29 Å²	29	87.3 Å²	87.3	13%	0.134	42%	0.42	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.5	14.1	-177.1	-54.5	-39.8	0	0	0	113.9	F62 L64 K68 K110	F62-H66 AromaticContact CD2-CD2 3.46Å; F62-H66 VanDerWaalsContact CD2-CD2 3.46Å; F62-H66 WeakPolarHBondContact CD2-CD2 3.33Å; F62-H66 AromaticContact CD2-NE2 3.99Å; F62-H66 AromaticContact CE2-CD2 3.4Å; F62-H66 VanDerWaalsContact CE2-CD2 3.4Å; F62-H66 WeakPolarHBondContact CE2-CD2 3.17Å; F62-H66 PolarHBondContact O-N 3.47Å; F62-H66 VanDerWaalsContact O-N 3.09Å; L64-H66 PolarHBondContact O-N 3.42Å; H66-K68 HydrophobicContact CB-CG 4.23Å; H66-K68 PolarHBondContact O-N 2.88Å; H66-K110 HydrophobicContact CB-CB 3.93Å; H66-K110 PolarHBondContact NE2-N 2.93Å
67	R	94.9	Very high	96.4	Very high	231 Å²	231	91.9 Å²	91.9	87%	0.872	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.2	39.2	176.1	-53.7	-179.7	-175.1	174.9	1.7	113.7	K63 L64	K63-R67 CarbonylContact O-C 3.57Å; K63-R67 VanDerWaalsContact O-CA 3.28Å; K63-R67 WeakPolarHBondContact O-CA 3.39Å; K63-R67 PolarHBondContact O-N 2.96Å; L64-R67 PolarHBondContact O-N 3.21Å
68	K	96.2	Very high	96.6	Very high	43 Å²	43	89.8 Å²	89.8	19%	0.187	42%	0.422	C	S	.	.			trans	-73	132.6	-178	-62.2	-71	-176.3	161.1	0	110.8	F62 K63 H66 Y70 K110 D113	F62-K68 HydrophobicContact CD1-CG 4.4Å; F62-K68 HydrophobicContact CE1-CD 4.46Å; F62-K68 HydrophobicContact CE1-CG 3.86Å; F62-K68 HydrophobicContact CZ-CG 4.46Å; K63-K68 HydrophobicContact CB-CB 4.14Å; K63-K68 HydrophobicContact CG-CB 4.08Å; K63-K68 PolarHBondContact O-N 3.33Å; H66-K68 HydrophobicContact CB-CG 4.23Å; H66-K68 PolarHBondContact O-N 2.88Å; K68-Y70 HydrophobicContact CB-CE1 4.4Å; K68-Y70 HydrophobicContact CB-CE2 4.14Å; K68-Y70 WeakPolarHBondContact CB-OH 3.28Å; K68-K110 WeakPolarHBondContact CE-O 3.47Å; K68-K110 PolarHBondContact NZ-O 2.87Å; K68-D113 WeakPolarHBondContact CD-OD2 3.27Å; K68-D113 WeakPolarHBondContact CE-OD1 3.07Å; K68-D113 VanDerWaalsContact CE-OD2 3.32Å; K68-D113 WeakPolarHBondContact CE-OD2 3.33Å; K68-D113 IonicContact NZ-OD1 3.81Å; K68-D113 PolarHBondContact NZ-OD1 3.17Å; K68-D113 IonicContact NZ-OD2 3.23Å; K68-D113 PolarHBondContact NZ-OD2 2.79Å
69	N	95.5	Very high	96.7	Very high	155 Å²	155	87.9 Å²	87.9	83%	0.829	41%	0.413	S	S	*	.			trans	-133.8	136.3	172.3	-171.6	35.3	0	0	0	108.2
70	Y	96.6	Very high	96.7	Very high	28 Å²	28	89.2 Å²	89.2	11%	0.11	42%	0.42	C	S	.	.			trans	-120.8	150.7	-176.8	-53.9	-63.8	0	0	0	109.6	W59 K63 K68 D72 E75 E76 R79 D113	W59-Y70 AromaticContact CH2-CE2 3.63Å; W59-Y70 HydrophobicContact CH2-CE2 3.63Å; W59-Y70 AromaticContact CH2-CZ 3.61Å; W59-Y70 WeakPolarHBondContact CH2-OH 3.38Å; W59-Y70 HydrophobicContact CZ2-CD2 4.23Å; W59-Y70 AromaticContact CZ2-CE2 3.34Å; W59-Y70 HydrophobicContact CZ2-CE2 3.34Å; W59-Y70 AromaticContact CZ2-CZ 3.85Å; K63-Y70 HydrophobicContact CD-CD2 4.18Å; K63-Y70 HydrophobicContact CD-CE2 3.61Å; K63-Y70 HydrophobicContact CG-CE2 4.05Å; K68-Y70 HydrophobicContact CB-CE1 4.4Å; K68-Y70 HydrophobicContact CB-CE2 4.14Å; K68-Y70 WeakPolarHBondContact CB-OH 3.28Å; Y70-D72 VanDerWaalsContact C-N 3.34Å; Y70-D72 PolarHBondContact O-N 3.45Å; Y70-E75 HydrophobicContact CD1-CG 4.37Å; Y70-E76 HydrophobicContact CD2-CB 3.8Å; Y70-E76 HydrophobicContact CD2-CG 3.73Å; Y70-E76 HydrophobicContact CE2-CG 4.21Å; Y70-E76 HydrophobicContact CG-CB 4.26Å; Y70-R79 HydrophobicContact CD1-CB 4.26Å; Y70-R79 HydrophobicContact CD1-CG 3.77Å; Y70-R79 HydrophobicContact CE1-CB 3.78Å; Y70-R79 HydrophobicContact CE1-CG 3.58Å; Y70-R79 HydrophobicContact CE2-CB 4.33Å; Y70-D113 PolarHBondContact OH-OD2 3.36Å
71	Q	95.5	Very high	96.7	Very high	179 Å²	179	90.9 Å²	90.9	84%	0.836	43%	0.426	S	S	*	.	S	Bend	trans	-62.9	-39.6	-171.8	-179.3	178.3	-47.6	0	0	113
72	D	96.8	Very high	96.8	Very high	71 Å²	71	87.5 Å²	87.5	38%	0.38	41%	0.405	S	S	.	.	S	Bend	trans	-156.7	175.3	-179.2	61	68.4	0	0	0	111.2	Y70 T74 E75 E76	Y70-D72 VanDerWaalsContact C-N 3.34Å; Y70-D72 PolarHBondContact O-N 3.45Å; D72-T74 PolarHBondContact O-N 3.2Å; D72-T74 VanDerWaalsContact OD1-CA 3.3Å; D72-T74 WeakPolarHBondContact OD1-CA 3.49Å; D72-T74 WeakPolarHBondContact OD1-CB 3.28Å; D72-T74 PolarHBondContact OD1-N 2.91Å; D72-T74 PolarHBondContact OD1-OG1 3.03Å; D72-E75 PolarHBondContact O-N 3.47Å; D72-E75 PolarHBondContact OD1-N 2.99Å; D72-E76 PolarHBondContact O-N 3.09Å
73	E	96.4	Very high	96.8	Very high	131 Å²	131	87.4 Å²	87.4	61%	0.612	40%	0.404	S	S	*	.	H	α-helix	trans	-61.8	-25.3	179.7	-69.4	-170.6	-154.4	0	0	114.2	R77	E73-R77 WeakPolarHBondContact O-CB 3.25Å; E73-R77 WeakPolarHBondContact O-CD 3.47Å; E73-R77 WeakPolarHBondContact O-CG 3.37Å; E73-R77 PolarHBondContact O-N 3.42Å; E73-R77 IonicContact OE2-CZ 3.61Å; E73-R77 IonicContact OE2-NE 2.82Å; E73-R77 IonicContact OE2-NH2 2.76Å; E73-R77 PolarHBondContact OE2-NH2 2.87Å
74	T	97.6	Very high	96.8	Very high	109 Å²	109	87.9 Å²	87.9	67%	0.669	41%	0.408	S	S	*	.	H	α-helix	trans	-71.9	-47.9	-179.9	-42.6	0	0	0	0	109.5	D72 R77 F78	D72-T74 PolarHBondContact O-N 3.2Å; D72-T74 VanDerWaalsContact OD1-CA 3.3Å; D72-T74 WeakPolarHBondContact OD1-CA 3.49Å; D72-T74 WeakPolarHBondContact OD1-CB 3.28Å; D72-T74 PolarHBondContact OD1-N 2.91Å; D72-T74 PolarHBondContact OD1-OG1 3.03Å; T74-R77 PolarHBondContact O-N 2.98Å; T74-F78 WeakPolarHBondContact O-CB 3.28Å; T74-F78 PolarHBondContact O-N 3.17Å
75	E	97.7	Very high	96.8	Very high	61 Å²	61	85 Å²	85	29%	0.285	39%	0.392	S	S	.	.	H	α-helix	trans	-62.4	-43.4	173.4	-177.1	64.3	-178.1	0	0	110.8	Y70 D72 R77 F78 R79	Y70-E75 HydrophobicContact CD1-CG 4.37Å; D72-E75 PolarHBondContact O-N 3.47Å; D72-E75 PolarHBondContact OD1-N 2.99Å; E75-R77 PolarHBondContact O-N 3.4Å; E75-F78 WeakPolarHBondContact O-CB 3.35Å; E75-F78 PolarHBondContact O-N 2.92Å; E75-R79 HydrophobicContact CG-CG 4.21Å; E75-R79 WeakPolarHBondContact O-CB 3.3Å; E75-R79 WeakPolarHBondContact O-CG 3.45Å; E75-R79 PolarHBondContact O-N 2.95Å; E75-R79 IonicContact OE1-CZ 2.1Å; E75-R79 VanDerWaalsContact OE1-CZ 3.27Å; E75-R79 IonicContact OE1-NE 3.66Å; E75-R79 PolarHBondContact OE1-NE 3.39Å; E75-R79 IonicContact OE1-NH2 3.51Å; E75-R79 PolarHBondContact OE1-NH2 3.43Å
76	E	97.8	Very high	97	Very high	49 Å²	49	79 Å²	79	23%	0.229	36%	0.363	C	S	.	.	H	α-helix	trans	-60.1	-45.6	177.3	-177.9	166.1	153	0	0	112.2	W59 K63 Y70 D72 F78 R79 L80	W59-E76 HydrophobicContact CZ2-CG 3.91Å; W59-E76 PolarHBondContact NE1-OE1 3.31Å; K63-E76 IonicContact NZ-OE1 3.11Å; K63-E76 PolarHBondContact NZ-OE1 2.87Å; K63-E76 IonicContact NZ-OE2 2.63Å; K63-E76 PolarHBondContact NZ-OE2 2.88Å; Y70-E76 HydrophobicContact CD2-CB 3.8Å; Y70-E76 HydrophobicContact CD2-CG 3.73Å; Y70-E76 HydrophobicContact CE2-CG 4.21Å; Y70-E76 HydrophobicContact CG-CB 4.26Å; D72-E76 PolarHBondContact O-N 3.09Å; E76-F78 VanDerWaalsContact C-N 3.29Å; E76-F78 PolarHBondContact O-N 3.38Å; E76-R79 PolarHBondContact O-N 2.78Å; E76-L80 WeakPolarHBondContact O-CB 3.45Å; E76-L80 PolarHBondContact O-N 2.91Å
77	R	96.6	Very high	97.1	Very high	167 Å²	167	80.7 Å²	80.7	63%	0.63	37%	0.37	S	S	*	.	H	α-helix	trans	-64.8	-34.5	178.3	-70.8	168.8	-162.4	-159	9.1	112	E73 T74 E75 K81	E73-R77 WeakPolarHBondContact O-CB 3.25Å; E73-R77 WeakPolarHBondContact O-CD 3.47Å; E73-R77 WeakPolarHBondContact O-CG 3.37Å; E73-R77 PolarHBondContact O-N 3.42Å; E73-R77 IonicContact OE2-CZ 3.61Å; E73-R77 IonicContact OE2-NE 2.82Å; E73-R77 IonicContact OE2-NH2 2.76Å; E73-R77 PolarHBondContact OE2-NH2 2.87Å; T74-R77 PolarHBondContact O-N 2.98Å; E75-R77 PolarHBondContact O-N 3.4Å; R77-K81 PolarHBondContact O-N 3Å; R77-K81 VanDerWaalsContact O-N 3.17Å
78	F	97.8	Very high	97.2	Very high	91 Å²	91	75.9 Å²	75.9	40%	0.399	36%	0.357	S	S	.	.	H	α-helix	trans	-66.2	-48.3	174.5	-178.4	-119.9	0	0	0	111.4	T74 E75 E76 L80 K81 I82 L115	T74-F78 WeakPolarHBondContact O-CB 3.28Å; T74-F78 PolarHBondContact O-N 3.17Å; E75-F78 WeakPolarHBondContact O-CB 3.35Å; E75-F78 PolarHBondContact O-N 2.92Å; E76-F78 VanDerWaalsContact C-N 3.29Å; E76-F78 PolarHBondContact O-N 3.38Å; F78-L80 PolarHBondContact O-N 3.49Å; F78-K81 WeakPolarHBondContact O-CB 3.31Å; F78-K81 PolarHBondContact O-N 2.81Å; F78-K81 VanDerWaalsContact O-N 3.1Å; F78-I82 HydrophobicContact CD1-CD1 3.86Å; F78-I82 HydrophobicContact CE1-CD1 3.61Å; F78-I82 HydrophobicContact CE2-CD1 4.3Å; F78-I82 HydrophobicContact CG-CD1 4.32Å; F78-I82 HydrophobicContact CZ-CD1 3.86Å; F78-I82 WeakPolarHBondContact O-CG1 3.41Å; F78-I82 PolarHBondContact O-N 2.6Å; F78-I82 VanDerWaalsContact O-N 3.11Å; F78-L115 HydrophobicContact CE1-CD1 4.42Å; F78-L115 HydrophobicContact CZ-CD1 4.02Å
79	R	98.2	Very high	97.3	Very high	24 Å²	24	77.1 Å²	77.1	9%	0.091	36%	0.363	C	S	.	.	H	α-helix	trans	-63.5	-38.9	177.9	-65.2	-75.4	169.3	-150.8	-8.9	112.5	W59 Y70 E75 E76 K81 I82 F83 D113 E118	W59-R79 HydrophobicContact CH2-CB 3.78Å; W59-R79 HydrophobicContact CZ2-CB 4.19Å; Y70-R79 HydrophobicContact CD1-CB 4.26Å; Y70-R79 HydrophobicContact CD1-CG 3.77Å; Y70-R79 HydrophobicContact CE1-CB 3.78Å; Y70-R79 HydrophobicContact CE1-CG 3.58Å; Y70-R79 HydrophobicContact CE2-CB 4.33Å; E75-R79 HydrophobicContact CG-CG 4.21Å; E75-R79 WeakPolarHBondContact O-CB 3.3Å; E75-R79 WeakPolarHBondContact O-CG 3.45Å; E75-R79 PolarHBondContact O-N 2.95Å; E75-R79 IonicContact OE1-CZ 2.1Å; E75-R79 VanDerWaalsContact OE1-CZ 3.27Å; E75-R79 IonicContact OE1-NE 3.66Å; E75-R79 PolarHBondContact OE1-NE 3.39Å; E75-R79 IonicContact OE1-NH2 3.51Å; E75-R79 PolarHBondContact OE1-NH2 3.43Å; E76-R79 PolarHBondContact O-N 2.78Å; R79-K81 VanDerWaalsContact C-N 3.33Å; R79-K81 PolarHBondContact O-N 2.66Å; R79-I82 PolarHBondContact O-N 3.29Å; R79-F83 WeakPolarHBondContact O-CB 3.49Å; R79-F83 PolarHBondContact O-N 2.9Å; R79-D113 HydrophobicContact CB-CB 4.29Å; R79-D113 WeakPolarHBondContact CD-O 3.36Å; R79-D113 PolarHBondContact NH1-O 3.2Å; R79-E118 IonicContact CZ-OE1 3.02Å; R79-E118 IonicContact CZ-OE2 2.71Å; R79-E118 IonicContact NH1-OE1 3.02Å; R79-E118 PolarHBondContact NH1-OE1 3.5Å; R79-E118 IonicContact NH1-OE2 2.83Å; R79-E118 PolarHBondContact NH1-OE2 3.41Å; R79-E118 IonicContact NH2-OE1 3.99Å; R79-E118 PolarHBondContact NH2-OE1 3.25Å; R79-E118 IonicContact NH2-OE2 2.67Å
80	L	97.7	Very high	97.4	Very high	29 Å²	29	70.2 Å²	70.2	15%	0.152	33%	0.326	C	S	.	.	H	α-helix	trans	-60.2	-39.6	171.2	171.2	59.5	0	0	0	112.2	V55 M56 W59 E76 F78 F83 N84	V55-L80 HydrophobicContact CG1-CD1 4.19Å; M56-L80 HydrophobicContact SD-CD2 3.76Å; W59-L80 HydrophobicContact CB-CD1 3.74Å; W59-L80 HydrophobicContact CD2-CB 4.2Å; W59-L80 HydrophobicContact CD2-CD1 3.74Å; W59-L80 HydrophobicContact CE3-CD1 4.17Å; W59-L80 HydrophobicContact CG-CD1 3.58Å; W59-L80 HydrophobicContact CH2-CB 4.35Å; W59-L80 HydrophobicContact CZ2-CB 3.87Å; E76-L80 WeakPolarHBondContact O-CB 3.45Å; E76-L80 PolarHBondContact O-N 2.91Å; F78-L80 PolarHBondContact O-N 3.49Å; L80-F83 HydrophobicContact CD1-CD1 4.47Å; L80-N84 VanDerWaalsContact CD1-ND2 3.28Å; L80-N84 WeakPolarHBondContact CD1-ND2 3.4Å; L80-N84 PolarHBondContact O-N 2.73Å; L80-N84 VanDerWaalsContact O-N 3.09Å; L80-N84 PolarHBondContact O-ND2 2.78Å
81	K	97.3	Very high	97.5	Very high	123 Å²	123	71.6 Å²	71.6	54%	0.535	34%	0.343	S	S	.	.	H	α-helix	trans	-63.7	-46.9	176.4	-169.3	-172.7	-179.9	-109.9	0	110.9	R77 F78 R79 N84 E85	R77-K81 PolarHBondContact O-N 3Å; R77-K81 VanDerWaalsContact O-N 3.17Å; F78-K81 WeakPolarHBondContact O-CB 3.31Å; F78-K81 PolarHBondContact O-N 2.81Å; F78-K81 VanDerWaalsContact O-N 3.1Å; R79-K81 VanDerWaalsContact C-N 3.33Å; R79-K81 PolarHBondContact O-N 2.66Å; K81-N84 PolarHBondContact O-N 3.21Å; K81-E85 WeakPolarHBondContact CE-OE1 3.45Å; K81-E85 IonicContact NZ-OE1 3.83Å; K81-E85 PolarHBondContact NZ-OE1 3Å; K81-E85 WeakPolarHBondContact O-CG 3.39Å; K81-E85 PolarHBondContact O-N 3.31Å
82	I	98.2	Very high	97.6	Very high	4 Å²	4	69.6 Å²	69.6	2%	0.021	33%	0.331	C	S	.	.	H	α-helix	trans	-60.4	-46.2	178	-63.4	161.9	0	0	0	110.8	F78 R79 N84 E85 N86 D113 L114 L115	F78-I82 HydrophobicContact CD1-CD1 3.86Å; F78-I82 HydrophobicContact CE1-CD1 3.61Å; F78-I82 HydrophobicContact CE2-CD1 4.3Å; F78-I82 HydrophobicContact CG-CD1 4.32Å; F78-I82 HydrophobicContact CZ-CD1 3.86Å; F78-I82 WeakPolarHBondContact O-CG1 3.41Å; F78-I82 PolarHBondContact O-N 2.6Å; F78-I82 VanDerWaalsContact O-N 3.11Å; R79-I82 PolarHBondContact O-N 3.29Å; I82-N84 VanDerWaalsContact C-N 3.34Å; I82-N84 PolarHBondContact O-N 2.76Å; I82-E85 PolarHBondContact O-N 3.28Å; I82-N86 WeakPolarHBondContact CG2-ND2 3.43Å; I82-N86 WeakPolarHBondContact O-CB 3.32Å; I82-N86 PolarHBondContact O-N 2.85Å; I82-D113 WeakPolarHBondContact CG2-O 3.29Å; I82-L114 VanDerWaalsContact CG2-C 3.47Å; I82-L114 WeakPolarHBondContact CG2-O 3.16Å; I82-L115 HydrophobicContact CD1-CD1 4.42Å; I82-L115 HydrophobicContact CD1-CD2 3.84Å; I82-L115 HydrophobicContact CD1-CG 3.74Å; I82-L115 HydrophobicContact CG1-CD2 3.74Å; I82-L115 HydrophobicContact CG1-CG 4.21Å; I82-L115 HydrophobicContact CG2-CD2 4.34Å
83	F	98.3	Very high	97.7	Very high	5 Å²	5	67 Å²	67	2%	0.022	32%	0.317	C	S	.	.	H	α-helix	trans	-53.4	-48.1	175	172.3	-100.1	0	0	0	112.4	W59 F62 R79 L80 N86 K87 V108 A112	W59-F83 HydrophobicContact CE3-CB 3.98Å; W59-F83 AromaticContact CE3-CD1 3.78Å; W59-F83 HydrophobicContact CE3-CD1 3.78Å; W59-F83 HydrophobicContact CE3-CD2 4.23Å; W59-F83 HydrophobicContact CE3-CE1 4.33Å; W59-F83 AromaticContact CE3-CG 3.73Å; W59-F83 HydrophobicContact CE3-CG 3.73Å; W59-F83 HydrophobicContact CH2-CB 4.48Å; W59-F83 HydrophobicContact CZ3-CB 3.59Å; W59-F83 HydrophobicContact CZ3-CD1 4.28Å; W59-F83 HydrophobicContact CZ3-CD2 4.18Å; W59-F83 AromaticContact CZ3-CG 3.77Å; W59-F83 HydrophobicContact CZ3-CG 3.77Å; F62-F83 HydrophobicContact CB-CD2 4.49Å; F62-F83 HydrophobicContact CB-CE2 3.77Å; F62-F83 HydrophobicContact CB-CZ 3.96Å; F62-F83 HydrophobicContact CD1-CD2 4.02Å; F62-F83 HydrophobicContact CD1-CE2 4.12Å; F62-F83 AromaticContact CD2-CD2 3.82Å; F62-F83 HydrophobicContact CD2-CD2 3.82Å; F62-F83 AromaticContact CD2-CE2 3.38Å; F62-F83 HydrophobicContact CD2-CE2 3.38Å; F62-F83 HydrophobicContact CD2-CZ 4.36Å; F62-F83 HydrophobicContact CE1-CD2 4.18Å; F62-F83 AromaticContact CE2-CD2 3.96Å; F62-F83 HydrophobicContact CE2-CD2 3.96Å; F62-F83 AromaticContact CE2-CE2 3.94Å; F62-F83 HydrophobicContact CE2-CE2 3.94Å; F62-F83 AromaticContact CG-CD2 3.84Å; F62-F83 HydrophobicContact CG-CD2 3.84Å; F62-F83 AromaticContact CG-CE2 3.48Å; F62-F83 HydrophobicContact CG-CE2 3.48Å; F62-F83 VanDerWaalsContact CG-CE2 3.48Å; F62-F83 HydrophobicContact CG-CZ 4.17Å; F62-F83 HydrophobicContact CZ-CD2 4.16Å; R79-F83 WeakPolarHBondContact O-CB 3.49Å; R79-F83 PolarHBondContact O-N 2.9Å; L80-F83 HydrophobicContact CD1-CD1 4.47Å; F83-N86 PolarHBondContact O-N 3.28Å; F83-K87 VanDerWaalsContact O-CB 3.26Å; F83-K87 WeakPolarHBondContact O-CB 3.47Å; F83-K87 PolarHBondContact O-N 2.87Å; F83-V108 HydrophobicContact CE2-CG1 3.84Å; F83-A112 VanDerWaalsContact CA-O 3.29Å; F83-A112 WeakPolarHBondContact CA-O 3.04Å; F83-A112 HydrophobicContact CD2-CB 3.86Å; F83-A112 HydrophobicContact CE2-CB 4.31Å
84	N	97	Very high	97.8	Very high	45 Å²	45	63 Å²	63	24%	0.241	30%	0.3	C	S	.	.	H	α-helix	trans	-66.1	-40.9	178.2	-76.8	-52.6	0	0	0	113.1	V55 L80 K81 I82 H88	V55-N84 WeakPolarHBondContact CG1-ND2 3.47Å; V55-N84 WeakPolarHBondContact CG1-OD1 3.45Å; L80-N84 VanDerWaalsContact CD1-ND2 3.28Å; L80-N84 WeakPolarHBondContact CD1-ND2 3.4Å; L80-N84 PolarHBondContact O-N 2.73Å; L80-N84 VanDerWaalsContact O-N 3.09Å; L80-N84 PolarHBondContact O-ND2 2.78Å; K81-N84 PolarHBondContact O-N 3.21Å; I82-N84 VanDerWaalsContact C-N 3.34Å; I82-N84 PolarHBondContact O-N 2.76Å; N84-H88 WeakPolarHBondContact O-CB 3.29Å; N84-H88 PolarHBondContact O-N 3.38Å
85	E	97.5	Very high	97.8	Very high	81 Å²	81	63.3 Å²	63.3	38%	0.379	29%	0.294	S	S	.	.	H	α-helix	trans	-62.3	-44.7	175.4	-72.5	178.4	-166	0	0	111.3	K81 I82 H88 K89	K81-E85 WeakPolarHBondContact CE-OE1 3.45Å; K81-E85 IonicContact NZ-OE1 3.83Å; K81-E85 PolarHBondContact NZ-OE1 3Å; K81-E85 WeakPolarHBondContact O-CG 3.39Å; K81-E85 PolarHBondContact O-N 3.31Å; I82-E85 PolarHBondContact O-N 3.28Å; E85-H88 PolarHBondContact O-N 3.01Å; E85-K89 WeakPolarHBondContact O-CG 3.4Å; E85-K89 PolarHBondContact O-N 2.64Å
86	N	98.3	Very high	97.9	Very high	3 Å²	3	66 Å²	66	2%	0.016	30%	0.301	C	S	.	.	H	α-helix	trans	-68.7	-41.8	177.9	-73.5	-24.4	0	0	0	112.4	I82 F83 H88 K89 I90 A112 L114 F299	I82-N86 WeakPolarHBondContact CG2-ND2 3.43Å; I82-N86 WeakPolarHBondContact O-CB 3.32Å; I82-N86 PolarHBondContact O-N 2.85Å; F83-N86 PolarHBondContact O-N 3.28Å; N86-H88 VanDerWaalsContact C-N 3.28Å; N86-H88 PolarHBondContact O-N 3.47Å; N86-K89 WeakPolarHBondContact O-CB 3.37Å; N86-K89 PolarHBondContact O-N 2.96Å; N86-K89 VanDerWaalsContact O-N 3.15Å; N86-K89 PolarHBondContact OD1-NZ 3.01Å; N86-I90 WeakPolarHBondContact O-CG1 3.47Å; N86-I90 PolarHBondContact O-N 2.77Å; N86-A112 PolarHBondContact ND2-O 3.48Å; N86-L114 PolarHBondContact ND2-O 2.69Å; N86-F299 HydrophobicContact CB-CE2 3.99Å; N86-F299 HydrophobicContact CB-CZ 3.78Å
87	K	97.2	Very high	97.9	Very high	65 Å²	65	66.9 Å²	66.9	28%	0.283	30%	0.304	S	S	.	.	H	α-helix	trans	-57.7	-40.1	172.7	-170.7	-164.9	178.1	-155	0	111.8	E58 F83 I90 A91 V108	E58-K87 WeakPolarHBondContact OE1-CE 3.19Å; E58-K87 IonicContact OE1-NZ 2.72Å; E58-K87 PolarHBondContact OE1-NZ 3.44Å; E58-K87 IonicContact OE2-NZ 3.29Å; E58-K87 PolarHBondContact OE2-NZ 2.84Å; F83-K87 VanDerWaalsContact O-CB 3.26Å; F83-K87 WeakPolarHBondContact O-CB 3.47Å; F83-K87 PolarHBondContact O-N 2.87Å; K87-I90 PolarHBondContact O-N 2.7Å; K87-A91 PolarHBondContact O-N 2.84Å; K87-V108 HydrophobicContact CG-CG2 4.37Å
88	H	97.1	Very high	97.9	Very high	130 Å²	130	63.1 Å²	63.1	60%	0.602	31%	0.309	S	S	*	.	H	α-helix	trans	-64.7	-41	176.3	-177.1	68.8	0	0	0	112.4	N84 E85 N86 A91 K92	N84-H88 WeakPolarHBondContact O-CB 3.29Å; N84-H88 PolarHBondContact O-N 3.38Å; E85-H88 PolarHBondContact O-N 3.01Å; N86-H88 VanDerWaalsContact C-N 3.28Å; N86-H88 PolarHBondContact O-N 3.47Å; H88-A91 PolarHBondContact O-N 2.67Å; H88-K92 WeakPolarHBondContact O-CB 3.33Å; H88-K92 PolarHBondContact O-N 3.09Å
89	K	97.8	Very high	97.9	Very high	70 Å²	70	62.9 Å²	62.9	30%	0.304	31%	0.309	S	S	.	.	H	α-helix	trans	-61.2	-46.3	173.6	-63	166.4	-171.6	169.7	0	111.6	E85 N86 A91 K92 H93 E295	E85-K89 WeakPolarHBondContact O-CG 3.4Å; E85-K89 PolarHBondContact O-N 2.64Å; N86-K89 WeakPolarHBondContact O-CB 3.37Å; N86-K89 PolarHBondContact O-N 2.96Å; N86-K89 VanDerWaalsContact O-N 3.15Å; N86-K89 PolarHBondContact OD1-NZ 3.01Å; K89-A91 PolarHBondContact O-N 2.98Å; K89-K92 PolarHBondContact O-N 3.11Å; K89-H93 PolarHBondContact O-N 3.18Å; K89-E295 VanDerWaalsContact CD-OE2 3.29Å; K89-E295 WeakPolarHBondContact CD-OE2 3.1Å; K89-E295 WeakPolarHBondContact CE-OE2 3.26Å; K89-E295 VanDerWaalsContact NZ-CD 3.32Å; K89-E295 IonicContact NZ-OE1 2.96Å; K89-E295 PolarHBondContact NZ-OE1 3.27Å; K89-E295 IonicContact NZ-OE2 2.67Å; K89-E295 PolarHBondContact NZ-OE2 3.48Å
90	I	98.5	Very high	97.8	Very high	10 Å²	10	65 Å²	65	5%	0.051	34%	0.338	C	S	.	.	H	α-helix	trans	-56.4	-49.1	176	-70.3	161.7	0	0	0	110.7	N86 K87 K92 H93 N94 L106 V108 F299	N86-I90 WeakPolarHBondContact O-CG1 3.47Å; N86-I90 PolarHBondContact O-N 2.77Å; K87-I90 PolarHBondContact O-N 2.7Å; I90-K92 PolarHBondContact O-N 3.03Å; I90-H93 PolarHBondContact O-N 3.16Å; I90-N94 WeakPolarHBondContact O-CB 3.46Å; I90-N94 PolarHBondContact O-N 3.33Å; I90-L106 HydrophobicContact CB-CB 4.32Å; I90-L106 HydrophobicContact CG1-CB 4.03Å; I90-L106 HydrophobicContact CG1-CD1 4.42Å; I90-L106 HydrophobicContact CG2-CB 4.01Å; I90-V108 HydrophobicContact CD1-CG2 3.95Å; I90-F299 HydrophobicContact CD1-CB 4.12Å; I90-F299 HydrophobicContact CD1-CD1 3.92Å; I90-F299 HydrophobicContact CD1-CD2 4.24Å; I90-F299 HydrophobicContact CD1-CE1 4.47Å; I90-F299 HydrophobicContact CD1-CG 3.81Å; I90-F299 HydrophobicContact CG1-CB 3.99Å; I90-F299 HydrophobicContact CG1-CD2 4.17Å; I90-F299 HydrophobicContact CG1-CG 3.99Å
91	A	98	Very high	97.7	Very high	57 Å²	57	70 Å²	70	47%	0.471	36%	0.359	S	S	.	.	H	α-helix	trans	-60.5	-43.6	178	0	0	0	0	0	112.4	K87 H88 K89 H93 N94 Q95	K87-A91 PolarHBondContact O-N 2.84Å; H88-A91 PolarHBondContact O-N 2.67Å; K89-A91 PolarHBondContact O-N 2.98Å; A91-H93 PolarHBondContact O-N 3.15Å; A91-N94 PolarHBondContact O-N 3.34Å; A91-Q95 PolarHBondContact O-N 3.06Å
92	K	98.3	Very high	97.7	Very high	136 Å²	136	65.4 Å²	65.4	59%	0.591	34%	0.341	S	S	*	.	H	α-helix	trans	-65	-37	177.7	-174.2	179.7	179.2	-177.5	0	112.8	H88 K89 I90 R96	H88-K92 WeakPolarHBondContact O-CB 3.33Å; H88-K92 PolarHBondContact O-N 3.09Å; K89-K92 PolarHBondContact O-N 3.11Å; I90-K92 PolarHBondContact O-N 3.03Å; K92-R96 PolarHBondContact O-N 3.14Å
93	H	98.5	Very high	97.7	Very high	17 Å²	17	66.6 Å²	66.6	8%	0.079	35%	0.349	C	S	.	.	H	α-helix	trans	-67.3	-46.8	172.7	-176.1	96.9	0	0	0	111.5	K89 I90 A91 Q95 R96 F97 F104 L106	K89-H93 PolarHBondContact O-N 3.18Å; I90-H93 PolarHBondContact O-N 3.16Å; A91-H93 PolarHBondContact O-N 3.15Å; H93-Q95 VanDerWaalsContact C-N 3.26Å; H93-Q95 PolarHBondContact O-N 3.42Å; H93-R96 WeakPolarHBondContact O-CA 3.45Å; H93-R96 VanDerWaalsContact O-CB 3.31Å; H93-R96 WeakPolarHBondContact O-CB 3.47Å; H93-R96 PolarHBondContact O-N 3.36Å; H93-F97 PolarHBondContact O-N 3Å; H93-F104 PolarHBondContact CD2-O 2.98Å; H93-F104 AromaticContact CE1-CE1 3.9Å; H93-F104 AromaticContact CE1-CE2 3.62Å; H93-F104 AromaticContact CE1-CZ 3.46Å; H93-F104 VanDerWaalsContact CE1-CZ 3.46Å; H93-F104 WeakPolarHBondContact CE1-CZ 3.27Å; H93-F104 AromaticContact NE2-CD2 3.8Å; H93-F104 AromaticContact NE2-CE2 3.7Å; H93-F104 AromaticContact NE2-CZ 3.92Å; H93-F104 PolarHBondContact NE2-O 2.8Å; H93-L106 HydrophobicContact CB-CD1 3.61Å; H93-L106 HydrophobicContact CB-CG 4.06Å
94	N	98.6	Very high	97.7	Very high	46 Å²	46	66.4 Å²	66.4	25%	0.246	35%	0.349	C	S	.	.	H	α-helix	trans	-66.4	-27.4	-179.2	-71.4	-10.6	0	0	0	112.8	I90 A91 F97 A98 K105 L106	I90-N94 WeakPolarHBondContact O-CB 3.46Å; I90-N94 PolarHBondContact O-N 3.33Å; A91-N94 PolarHBondContact O-N 3.34Å; N94-F97 WeakPolarHBondContact O-CB 3.49Å; N94-F97 PolarHBondContact O-N 3.47Å; N94-A98 PolarHBondContact O-N 3.02Å; N94-K105 WeakPolarHBondContact OD1-CA 3.49Å; N94-L106 PolarHBondContact ND2-O 3.02Å; N94-L106 PolarHBondContact OD1-N 3.38Å; N94-L106 PolarHBondContact OD1-O 2.99Å
95	Q	98.5	Very high	97.8	Very high	117 Å²	117	67.7 Å²	67.7	55%	0.547	35%	0.352	S	S	.	.	H	α-helix	trans	-61.6	-46.4	166.4	-175.8	-176.3	-16.8	0	0	111.3	A91 H93 F97 A98 E99	A91-Q95 PolarHBondContact O-N 3.06Å; H93-Q95 VanDerWaalsContact C-N 3.26Å; H93-Q95 PolarHBondContact O-N 3.42Å; Q95-F97 VanDerWaalsContact C-N 3.27Å; Q95-F97 PolarHBondContact O-N 3.02Å; Q95-A98 PolarHBondContact O-N 2.74Å; Q95-E99 WeakPolarHBondContact CG-OE1 3.44Å; Q95-E99 PolarHBondContact NE2-OE1 2.95Å; Q95-E99 VanDerWaalsContact O-CG 3.31Å; Q95-E99 WeakPolarHBondContact O-CG 3.15Å; Q95-E99 PolarHBondContact O-N 2.91Å
96	R	98.2	Very high	97.8	Very high	117 Å²	117	64.3 Å²	64.3	44%	0.442	34%	0.337	S	S	.	.	H	α-helix	trans	-61.3	-35.9	175.4	-66.8	172.5	61.7	-162.8	-1.5	112.1	K92 H93 E99 G100 K101 V102	K92-R96 PolarHBondContact O-N 3.14Å; H93-R96 WeakPolarHBondContact O-CA 3.45Å; H93-R96 VanDerWaalsContact O-CB 3.31Å; H93-R96 WeakPolarHBondContact O-CB 3.47Å; H93-R96 PolarHBondContact O-N 3.36Å; R96-E99 CarbonylContact O-C 3.47Å; R96-E99 PolarHBondContact O-N 3.41Å; R96-G100 PolarHBondContact O-N 2.96Å; R96-K101 HydrophobicContact CB-CB 4.23Å; R96-K101 WeakPolarHBondContact O-CB 3.47Å; R96-K101 PolarHBondContact O-N 3.41Å; R96-V102 HydrophobicContact CB-CG2 4.06Å
97	F	97.6	Very high	97.8	Very high	67 Å²	67	65.8 Å²	65.8	29%	0.294	35%	0.349	S	S	.	.	H	α-helix	trans	-63.3	-48.2	174	177.8	-87.2	0	0	0	111.2	H93 N94 Q95 E99 G100 V102 F104 K105	H93-F97 PolarHBondContact O-N 3Å; N94-F97 WeakPolarHBondContact O-CB 3.49Å; N94-F97 PolarHBondContact O-N 3.47Å; Q95-F97 VanDerWaalsContact C-N 3.27Å; Q95-F97 PolarHBondContact O-N 3.02Å; F97-E99 PolarHBondContact O-N 3.45Å; F97-G100 PolarHBondContact O-N 3.33Å; F97-V102 HydrophobicContact CB-CG2 3.86Å; F97-V102 WeakPolarHBondContact CD2-O 3.39Å; F97-F104 VanDerWaalsContact CD2-C 3.41Å; F97-F104 VanDerWaalsContact CD2-O 3.31Å; F97-F104 WeakPolarHBondContact CD2-O 3.35Å; F97-K105 HydrophobicContact CB-CG 4.32Å; F97-K105 HydrophobicContact CD1-CD 4.07Å; F97-K105 HydrophobicContact CD1-CG 3.59Å; F97-K105 HydrophobicContact CD2-CG 3.84Å; F97-K105 HydrophobicContact CE1-CD 4.06Å; F97-K105 HydrophobicContact CE1-CG 3.81Å; F97-K105 HydrophobicContact CE2-CG 4.01Å; F97-K105 HydrophobicContact CG-CG 3.62Å; F97-K105 HydrophobicContact CZ-CG 3.99Å
98	A	97.5	Very high	97.8	Very high	88 Å²	88	65.4 Å²	65.4	73%	0.727	35%	0.352	S	S	*	.	H	α-helix	trans	-62.5	-27.5	176.8	0	0	0	0	0	113	N94 Q95 G100	N94-A98 PolarHBondContact O-N 3.02Å; Q95-A98 PolarHBondContact O-N 2.74Å; A98-G100 VanDerWaalsContact C-N 3.29Å
99	E	97.6	Very high	97.8	Very high	87 Å²	87	59.4 Å²	59.4	41%	0.407	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	1.9	172.3	-67.4	170.5	-173.8	0	0	113.8	Q95 R96 F97 K101	Q95-E99 WeakPolarHBondContact CG-OE1 3.44Å; Q95-E99 PolarHBondContact NE2-OE1 2.95Å; Q95-E99 VanDerWaalsContact O-CG 3.31Å; Q95-E99 WeakPolarHBondContact O-CG 3.15Å; Q95-E99 PolarHBondContact O-N 2.91Å; R96-E99 CarbonylContact O-C 3.47Å; R96-E99 PolarHBondContact O-N 3.41Å; F97-E99 PolarHBondContact O-N 3.45Å; E99-K101 VanDerWaalsContact C-N 3.32Å; E99-K101 HydrophobicContact CB-CD 4.04Å; E99-K101 HydrophobicContact CB-CG 4.1Å; E99-K101 PolarHBondContact O-N 3.39Å; E99-K101 WeakPolarHBondContact OE2-CD 3.39Å; E99-K101 VanDerWaalsContact OE2-CE 3.24Å; E99-K101 WeakPolarHBondContact OE2-CE 3.37Å; E99-K101 IonicContact OE2-NZ 3.9Å; E99-K101 PolarHBondContact OE2-NZ 3.24Å
100	G	95.9	Very high	97.7	Very high	67 Å²	67	57.7 Å²	57.7	69%	0.691	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.1	19.4	-179.7	0	0	0	0	0	115	R96 F97 A98	R96-G100 PolarHBondContact O-N 2.96Å; F97-G100 PolarHBondContact O-N 3.33Å; A98-G100 VanDerWaalsContact C-N 3.29Å
101	K	96.9	Very high	97.6	Very high	135 Å²	135	57.4 Å²	57.4	59%	0.587	32%	0.316	S	S	*	.	S	Bend	trans	-95.2	-5.3	-173.6	-63.2	175.1	-179.5	167.3	0	114.6	R96 E99	R96-K101 HydrophobicContact CB-CB 4.23Å; R96-K101 WeakPolarHBondContact O-CB 3.47Å; R96-K101 PolarHBondContact O-N 3.41Å; E99-K101 VanDerWaalsContact C-N 3.32Å; E99-K101 HydrophobicContact CB-CD 4.04Å; E99-K101 HydrophobicContact CB-CG 4.1Å; E99-K101 PolarHBondContact O-N 3.39Å; E99-K101 WeakPolarHBondContact OE2-CD 3.39Å; E99-K101 VanDerWaalsContact OE2-CE 3.24Å; E99-K101 WeakPolarHBondContact OE2-CE 3.37Å; E99-K101 IonicContact OE2-NZ 3.9Å; E99-K101 PolarHBondContact OE2-NZ 3.24Å
102	V	97.2	Very high	97.6	Very high	26 Å²	26	54.7 Å²	54.7	16%	0.158	29%	0.293	C	S	.	.	S	Bend	trans	-151	148.4	176.3	-67.4	0	0	0	0	108.9	R96 F97	R96-V102 HydrophobicContact CB-CG2 4.06Å; F97-V102 HydrophobicContact CB-CG2 3.86Å; F97-V102 WeakPolarHBondContact CD2-O 3.39Å
103	S	97.2	Very high	97.6	Very high	29 Å²	29	48.5 Å²	48.5	20%	0.203	27%	0.266	C	S	.	.	S	Bend	trans	-92	6	-173.5	42	0	0	0	0	115.8	G303 V304 E331	S103-G303 WeakPolarHBondContact O-CA 3.32Å; S103-V304 CarbonylContact C-O 3.5Å; S103-V304 PolarHBondContact O-N 2.86Å; S103-V304 PolarHBondContact OG-O 3.46Å; S103-V304 VanDerWaalsContact OG-O 3.09Å; S103-E331 VanDerWaalsContact CB-OE1 3.24Å; S103-E331 WeakPolarHBondContact CB-OE1 3.42Å; S103-E331 PolarHBondContact OG-OE1 3.28Å
104	F	98.3	Very high	97.5	Very high	2 Å²	2	48.3 Å²	48.3	1%	0.009	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	156.5	180	66.9	-75.6	0	0	0	113.6	H93 F97 L106 Y300 E302 V304 Y305 N306	H93-F104 PolarHBondContact CD2-O 2.98Å; H93-F104 AromaticContact CE1-CE1 3.9Å; H93-F104 AromaticContact CE1-CE2 3.62Å; H93-F104 AromaticContact CE1-CZ 3.46Å; H93-F104 VanDerWaalsContact CE1-CZ 3.46Å; H93-F104 WeakPolarHBondContact CE1-CZ 3.27Å; H93-F104 AromaticContact NE2-CD2 3.8Å; H93-F104 AromaticContact NE2-CE2 3.7Å; H93-F104 AromaticContact NE2-CZ 3.92Å; H93-F104 PolarHBondContact NE2-O 2.8Å; F97-F104 VanDerWaalsContact CD2-C 3.41Å; F97-F104 VanDerWaalsContact CD2-O 3.31Å; F97-F104 WeakPolarHBondContact CD2-O 3.35Å; F104-L106 HydrophobicContact CD2-CD2 4.07Å; F104-L106 HydrophobicContact CE2-CD2 3.72Å; F104-Y300 HydrophobicContact CB-CD2 4.34Å; F104-Y300 HydrophobicContact CB-CE2 4.16Å; F104-Y300 AromaticContact CD2-CD2 3.94Å; F104-Y300 HydrophobicContact CD2-CD2 3.94Å; F104-Y300 HydrophobicContact CG-CD2 4.46Å; F104-E302 CarbonylContact C-O 3.56Å; F104-E302 WeakPolarHBondContact CA-O 3.37Å; F104-E302 VanDerWaalsContact CB-O 3.23Å; F104-E302 WeakPolarHBondContact CB-O 3.3Å; F104-V304 WeakPolarHBondContact CB-O 3.39Å; F104-V304 WeakPolarHBondContact CD1-O 3.47Å; F104-Y305 AromaticContact CD2-CD2 3.9Å; F104-Y305 HydrophobicContact CD2-CD2 3.9Å; F104-Y305 HydrophobicContact CE1-CD2 4.21Å; F104-Y305 AromaticContact CE2-CD2 3.49Å; F104-Y305 HydrophobicContact CE2-CD2 3.49Å; F104-Y305 VanDerWaalsContact CE2-CD2 3.49Å; F104-Y305 AromaticContact CE2-CE2 3.75Å; F104-Y305 HydrophobicContact CE2-CE2 3.75Å; F104-Y305 HydrophobicContact CG-CD2 4.38Å; F104-Y305 AromaticContact CZ-CD2 3.67Å; F104-Y305 HydrophobicContact CZ-CD2 3.67Å; F104-Y305 AromaticContact CZ-CE2 3.77Å; F104-Y305 HydrophobicContact CZ-CE2 3.77Å; F104-N306 WeakPolarHBondContact CE1-O 3.31Å
105	K	98.3	Very high	97.4	Very high	71 Å²	71	48.2 Å²	48.2	31%	0.309	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	155.3	172.9	-63.6	-173	-161	156.2	0	112	N94 F97 S301 E302	N94-K105 WeakPolarHBondContact OD1-CA 3.49Å; F97-K105 HydrophobicContact CB-CG 4.32Å; F97-K105 HydrophobicContact CD1-CD 4.07Å; F97-K105 HydrophobicContact CD1-CG 3.59Å; F97-K105 HydrophobicContact CD2-CG 3.84Å; F97-K105 HydrophobicContact CE1-CD 4.06Å; F97-K105 HydrophobicContact CE1-CG 3.81Å; F97-K105 HydrophobicContact CE2-CG 4.01Å; F97-K105 HydrophobicContact CG-CG 3.62Å; F97-K105 HydrophobicContact CZ-CG 3.99Å; K105-S301 PolarHBondContact O-N 2.9Å; K105-E302 HydrophobicContact CB-CG 4.04Å; K105-E302 HydrophobicContact CD-CG 4.18Å; K105-E302 VanDerWaalsContact CD-OE1 3.24Å; K105-E302 WeakPolarHBondContact CD-OE1 3.14Å; K105-E302 WeakPolarHBondContact CE-OE1 3.44Å; K105-E302 HydrophobicContact CG-CG 4.29Å; K105-E302 PolarHBondContact N-O 3Å; K105-E302 IonicContact NZ-OE1 3.33Å; K105-E302 PolarHBondContact NZ-OE1 2.86Å
106	L	98.6	Very high	97.3	Very high	10 Å²	10	44.3 Å²	44.3	5%	0.052	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	155.2	166.8	-55.1	-177.3	0	0	0	110.8	I90 H93 N94 F104 S296 F299	I90-L106 HydrophobicContact CB-CB 4.32Å; I90-L106 HydrophobicContact CG1-CB 4.03Å; I90-L106 HydrophobicContact CG1-CD1 4.42Å; I90-L106 HydrophobicContact CG2-CB 4.01Å; H93-L106 HydrophobicContact CB-CD1 3.61Å; H93-L106 HydrophobicContact CB-CG 4.06Å; N94-L106 PolarHBondContact ND2-O 3.02Å; N94-L106 PolarHBondContact OD1-N 3.38Å; N94-L106 PolarHBondContact OD1-O 2.99Å; F104-L106 HydrophobicContact CD2-CD2 4.07Å; F104-L106 HydrophobicContact CE2-CD2 3.72Å; L106-S296 WeakPolarHBondContact CD2-O 3.38Å; L106-F299 CarbonylContact C-O 3.5Å; L106-F299 WeakPolarHBondContact CA-O 3.22Å; L106-F299 HydrophobicContact CB-CB 3.98Å; L106-F299 WeakPolarHBondContact CB-O 3.28Å; L106-F299 HydrophobicContact CD1-CB 4.27Å; L106-F299 HydrophobicContact CD2-CB 4.15Å; L106-F299 HydrophobicContact CG-CB 4.34Å
107	A	98.2	Very high	97.1	Very high	34 Å²	34	44.6 Å²	44.6	28%	0.281	25%	0.253	S	S	.	.			trans	-137.4	157.2	171	0	0	0	0	0	111.5	F299	A107-F299 PolarHBondContact N-O 3.06Å
108	V	97.4	Very high	97	Very high	57 Å²	57	43.4 Å²	43.4	35%	0.345	25%	0.248	S	C	.	.			trans	-65.2	133.7	164.9	171.9	0	0	0	0	107.7	F62 F83 K87 I90 A112	F62-V108 HydrophobicContact CD2-CG1 3.74Å; F62-V108 HydrophobicContact CE2-CG1 4.05Å; F83-V108 HydrophobicContact CE2-CG1 3.84Å; K87-V108 HydrophobicContact CG-CG2 4.37Å; I90-V108 HydrophobicContact CD1-CG2 3.95Å; V108-A112 HydrophobicContact CG1-CB 4.03Å
109	N	96.7	Very high	96.9	Very high	5 Å²	5	39.2 Å²	39.2	3%	0.027	21%	0.214	C	C	.	.			trans	-143.2	179.1	176.2	66	36.9	0	0	0	108.9	F62 Y111 A112 Q298	F62-N109 WeakPolarHBondContact CE2-O 3.17Å; N109-Y111 PolarHBondContact O-N 3.02Å; N109-Y111 WeakPolarHBondContact OD1-CB 3.2Å; N109-Y111 WeakPolarHBondContact OD1-CD2 3.36Å; N109-Y111 PolarHBondContact OD1-N 3.27Å; N109-A112 WeakPolarHBondContact O-CB 3.37Å; N109-A112 PolarHBondContact O-N 2.59Å; N109-Q298 PolarHBondContact ND2-O 2.79Å
110	K	95.9	Very high	96.7	Very high	34 Å²	34	39 Å²	39	15%	0.148	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-4.8	-176.8	65.8	169.3	178.3	160.4	0	116.8	H66 K68 D171 W340	H66-K110 HydrophobicContact CB-CB 3.93Å; H66-K110 PolarHBondContact NE2-N 2.93Å; K68-K110 WeakPolarHBondContact CE-O 3.47Å; K68-K110 PolarHBondContact NZ-O 2.87Å; K110-D171 IonicContact NZ-OD1 2.67Å; K110-D171 PolarHBondContact NZ-OD1 2.71Å; K110-D171 IonicContact NZ-OD2 3.27Å; K110-D171 PolarHBondContact NZ-OD2 3.38Å; K110-W340 WeakPolarHBondContact CE-O 3.21Å; K110-W340 PolarHBondContact NZ-O 2.88Å
111	Y	96.8	Very high	96.5	Very high	4 Å²	4	43.7 Å²	43.7	2%	0.016	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.1	4.4	177.4	-51	-65.3	0	0	0	114.2	N109 D113 L114 F119 M123 Q298 W340	N109-Y111 PolarHBondContact O-N 3.02Å; N109-Y111 WeakPolarHBondContact OD1-CB 3.2Å; N109-Y111 WeakPolarHBondContact OD1-CD2 3.36Å; N109-Y111 PolarHBondContact OD1-N 3.27Å; Y111-D113 PolarHBondContact O-N 2.84Å; Y111-L114 HydrophobicContact CD1-CD1 3.93Å; Y111-L114 WeakPolarHBondContact O-CB 3.37Å; Y111-L114 PolarHBondContact O-N 3.38Å; Y111-L114 VanDerWaalsContact O-N 3.11Å; Y111-F119 AromaticContact CD1-CD2 3.92Å; Y111-F119 HydrophobicContact CD1-CD2 3.92Å; Y111-F119 HydrophobicContact CD1-CE2 4.02Å; Y111-F119 HydrophobicContact CD2-CD2 4.28Å; Y111-F119 AromaticContact CD2-CE2 3.69Å; Y111-F119 HydrophobicContact CD2-CE2 3.69Å; Y111-F119 HydrophobicContact CE1-CE2 4.33Å; Y111-F119 HydrophobicContact CE2-CE2 4.05Å; Y111-F119 AromaticContact CG-CD2 3.77Å; Y111-F119 HydrophobicContact CG-CD2 3.77Å; Y111-F119 AromaticContact CG-CE2 3.66Å; Y111-F119 HydrophobicContact CG-CE2 3.66Å; Y111-M123 HydrophobicContact CE1-CE 4.09Å; Y111-M123 HydrophobicContact CE1-CG 4.2Å; Y111-M123 HydrophobicContact CE1-SD 3.66Å; Y111-M123 WeakPolarHBondContact OH-CE 3.26Å; Y111-Q298 PolarHBondContact O-NE2 3.13Å; Y111-Q298 VanDerWaalsContact O-NE2 3.14Å; Y111-W340 HydrophobicContact CE2-CB 4.18Å; Y111-W340 HydrophobicContact CE2-CD2 4.5Å; Y111-W340 HydrophobicContact CE2-CE3 4.34Å; Y111-W340 HydrophobicContact CE2-CG 4.47Å; Y111-W340 WeakPolarHBondContact OH-CB 3.22Å
112	A	97.7	Very high	96.2	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-20.5	-174.4	0	0	0	0	0	114.6	F62 F83 N86 V108 N109 F299	F62-A112 HydrophobicContact CE2-CB 3.72Å; F62-A112 HydrophobicContact CZ-CB 4.12Å; F83-A112 VanDerWaalsContact CA-O 3.29Å; F83-A112 WeakPolarHBondContact CA-O 3.04Å; F83-A112 HydrophobicContact CD2-CB 3.86Å; F83-A112 HydrophobicContact CE2-CB 4.31Å; N86-A112 PolarHBondContact ND2-O 3.48Å; V108-A112 HydrophobicContact CG1-CB 4.03Å; N109-A112 WeakPolarHBondContact O-CB 3.37Å; N109-A112 PolarHBondContact O-N 2.59Å; A112-F299 HydrophobicContact CB-CE1 4.05Å
113	D	97.7	Very high	96.1	Very high	5 Å²	5	38.5 Å²	38.5	3%	0.027	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-1.7	173.4	61.8	-41.4	0	0	0	114.2	W59 F62 K68 Y70 R79 I82 Y111	W59-D113 HydrophobicContact CH2-CB 4.38Å; W59-D113 HydrophobicContact CZ3-CB 4.44Å; F62-D113 HydrophobicContact CE1-CB 3.87Å; F62-D113 HydrophobicContact CZ-CB 3.96Å; K68-D113 WeakPolarHBondContact CD-OD2 3.27Å; K68-D113 WeakPolarHBondContact CE-OD1 3.07Å; K68-D113 VanDerWaalsContact CE-OD2 3.32Å; K68-D113 WeakPolarHBondContact CE-OD2 3.33Å; K68-D113 IonicContact NZ-OD1 3.81Å; K68-D113 PolarHBondContact NZ-OD1 3.17Å; K68-D113 IonicContact NZ-OD2 3.23Å; K68-D113 PolarHBondContact NZ-OD2 2.79Å; Y70-D113 PolarHBondContact OH-OD2 3.36Å; R79-D113 HydrophobicContact CB-CB 4.29Å; R79-D113 WeakPolarHBondContact CD-O 3.36Å; R79-D113 PolarHBondContact NH1-O 3.2Å; I82-D113 WeakPolarHBondContact CG2-O 3.29Å; Y111-D113 PolarHBondContact O-N 2.84Å
114	L	97.3	Very high	95.9	Very high	13 Å²	13	38.1 Å²	38.1	7%	0.068	19%	0.186	C	C	.	.	S	Bend	trans	-95.7	139.1	178.4	-58	-176.4	0	0	0	111.7	I82 N86 Y111 F119 L122	I82-L114 VanDerWaalsContact CG2-C 3.47Å; I82-L114 WeakPolarHBondContact CG2-O 3.16Å; N86-L114 PolarHBondContact ND2-O 2.69Å; Y111-L114 HydrophobicContact CD1-CD1 3.93Å; Y111-L114 WeakPolarHBondContact O-CB 3.37Å; Y111-L114 PolarHBondContact O-N 3.38Å; Y111-L114 VanDerWaalsContact O-N 3.11Å; L114-F119 HydrophobicContact CB-CB 4.26Å; L114-F119 HydrophobicContact CD1-CB 4.35Å; L114-L122 HydrophobicContact CD1-CD1 4.39Å
115	L	96.6	Very high	95.8	Very high	44 Å²	44	38.4 Å²	38.4	23%	0.23	19%	0.189	C	C	.	.			trans	-63.6	145.9	162.5	-62.1	168.6	0	0	0	108.4	F78 I82 H117 E118 F119	F78-L115 HydrophobicContact CE1-CD1 4.42Å; F78-L115 HydrophobicContact CZ-CD1 4.02Å; I82-L115 HydrophobicContact CD1-CD1 4.42Å; I82-L115 HydrophobicContact CD1-CD2 3.84Å; I82-L115 HydrophobicContact CD1-CG 3.74Å; I82-L115 HydrophobicContact CG1-CD2 3.74Å; I82-L115 HydrophobicContact CG1-CG 4.21Å; I82-L115 HydrophobicContact CG2-CD2 4.34Å; L115-H117 PolarHBondContact O-N 2.69Å; L115-H117 VanDerWaalsContact O-N 3.16Å; L115-E118 HydrophobicContact CB-CB 4.41Å; L115-E118 HydrophobicContact CB-CG 3.99Å; L115-E118 VanDerWaalsContact CB-OE2 3.31Å; L115-E118 WeakPolarHBondContact CB-OE2 3.08Å; L115-E118 HydrophobicContact CD1-CG 4.41Å; L115-E118 WeakPolarHBondContact CG-OE2 3.34Å; L115-E118 PolarHBondContact N-OE2 3.32Å; L115-E118 WeakPolarHBondContact O-CB 3.39Å; L115-E118 PolarHBondContact O-N 2.83Å; L115-F119 PolarHBondContact O-N 3.35Å
116	H	94.8	Very high	95.7	Very high	36 Å²	36	35.5 Å²	35.5	17%	0.167	18%	0.177	C	C	.	.	H	α-helix	trans	-60.1	-32.4	-175.3	-175.9	54.4	0	0	0	113.6	R120 S293 E295 Q298	H116-R120 WeakPolarHBondContact NE2-CD 3.47Å; H116-R120 WeakPolarHBondContact O-CG 3.29Å; H116-R120 PolarHBondContact O-N 2.77Å; H116-S293 PolarHBondContact NE2-O 3Å; H116-E295 HydrophobicContact CB-CG 3.87Å; H116-E295 PolarHBondContact CE1-N 3.49Å; H116-E295 VanDerWaalsContact CG-CG 3.46Å; H116-Q298 PolarHBondContact ND1-OE1 2.04Å
117	H	95.1	Very high	95.4	Very high	122 Å²	122	37.8 Å²	37.8	57%	0.565	19%	0.189	S	C	*	.	H	α-helix	trans	-74.3	-34.9	174.8	61.6	-101.1	0	0	0	113.5	L115 Q121	L115-H117 PolarHBondContact O-N 2.69Å; L115-H117 VanDerWaalsContact O-N 3.16Å; H117-Q121 WeakPolarHBondContact O-CB 3.2Å; H117-Q121 PolarHBondContact O-N 2.88Å
118	E	95.3	Very high	95.3	Very high	42 Å²	42	36.8 Å²	36.8	20%	0.196	18%	0.178	C	C	.	.	H	α-helix	trans	-62	-47.7	171.7	-65.7	172.2	129.8	0	0	109.5	R79 L115 R120 Q121 L122	R79-E118 IonicContact CZ-OE1 3.02Å; R79-E118 IonicContact CZ-OE2 2.71Å; R79-E118 IonicContact NH1-OE1 3.02Å; R79-E118 PolarHBondContact NH1-OE1 3.5Å; R79-E118 IonicContact NH1-OE2 2.83Å; R79-E118 PolarHBondContact NH1-OE2 3.41Å; R79-E118 IonicContact NH2-OE1 3.99Å; R79-E118 PolarHBondContact NH2-OE1 3.25Å; R79-E118 IonicContact NH2-OE2 2.67Å; L115-E118 HydrophobicContact CB-CB 4.41Å; L115-E118 HydrophobicContact CB-CG 3.99Å; L115-E118 VanDerWaalsContact CB-OE2 3.31Å; L115-E118 WeakPolarHBondContact CB-OE2 3.08Å; L115-E118 HydrophobicContact CD1-CG 4.41Å; L115-E118 WeakPolarHBondContact CG-OE2 3.34Å; L115-E118 PolarHBondContact N-OE2 3.32Å; L115-E118 WeakPolarHBondContact O-CB 3.39Å; L115-E118 PolarHBondContact O-N 2.83Å; E118-R120 PolarHBondContact O-N 3.47Å; E118-Q121 PolarHBondContact O-N 2.88Å; E118-L122 WeakPolarHBondContact O-CB 3.4Å; E118-L122 VanDerWaalsContact O-CG 3.27Å; E118-L122 WeakPolarHBondContact O-CG 3.17Å; E118-L122 PolarHBondContact O-N 3.32Å
119	F	95.1	Very high	95.1	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-55.7	-52.1	176.3	170.2	-97.3	0	0	0	112	Y111 L114 L115 Q121 L122 M123 Q298 W340	Y111-F119 AromaticContact CD1-CD2 3.92Å; Y111-F119 HydrophobicContact CD1-CD2 3.92Å; Y111-F119 HydrophobicContact CD1-CE2 4.02Å; Y111-F119 HydrophobicContact CD2-CD2 4.28Å; Y111-F119 AromaticContact CD2-CE2 3.69Å; Y111-F119 HydrophobicContact CD2-CE2 3.69Å; Y111-F119 HydrophobicContact CE1-CE2 4.33Å; Y111-F119 HydrophobicContact CE2-CE2 4.05Å; Y111-F119 AromaticContact CG-CD2 3.77Å; Y111-F119 HydrophobicContact CG-CD2 3.77Å; Y111-F119 AromaticContact CG-CE2 3.66Å; Y111-F119 HydrophobicContact CG-CE2 3.66Å; L114-F119 HydrophobicContact CB-CB 4.26Å; L114-F119 HydrophobicContact CD1-CB 4.35Å; L115-F119 PolarHBondContact O-N 3.35Å; F119-Q121 VanDerWaalsContact C-N 3.34Å; F119-Q121 PolarHBondContact O-N 3.16Å; F119-L122 PolarHBondContact O-N 3.48Å; F119-M123 HydrophobicContact CD2-CB 4.48Å; F119-M123 HydrophobicContact CD2-CG 3.64Å; F119-M123 HydrophobicContact CE2-CB 4.2Å; F119-M123 HydrophobicContact CE2-CG 3.57Å; F119-M123 HydrophobicContact CG-CG 4.35Å; F119-M123 HydrophobicContact CZ-CB 4.36Å; F119-M123 HydrophobicContact CZ-CG 4.22Å; F119-M123 WeakPolarHBondContact O-CB 3.19Å; F119-M123 VanDerWaalsContact O-CG 3.27Å; F119-M123 WeakPolarHBondContact O-CG 3.21Å; F119-M123 PolarHBondContact O-N 2.77Å; F119-Q298 HydrophobicContact CD1-CB 3.89Å; F119-Q298 HydrophobicContact CD1-CG 3.75Å; F119-Q298 HydrophobicContact CD2-CG 3.77Å; F119-Q298 HydrophobicContact CE1-CB 3.53Å; F119-Q298 HydrophobicContact CE1-CG 3.73Å; F119-Q298 HydrophobicContact CE2-CB 4.32Å; F119-Q298 HydrophobicContact CE2-CG 3.73Å; F119-Q298 HydrophobicContact CG-CB 4.41Å; F119-Q298 VanDerWaalsContact CG-CD 3.44Å; F119-Q298 HydrophobicContact CG-CG 3.75Å; F119-Q298 HydrophobicContact CZ-CB 3.75Å; F119-Q298 HydrophobicContact CZ-CG 3.7Å; F119-W340 HydrophobicContact CE1-CH2 4.05Å; F119-W340 HydrophobicContact CE1-CZ3 4.41Å; F119-W340 HydrophobicContact CE2-CE3 4.5Å; F119-W340 HydrophobicContact CE2-CH2 4.4Å; F119-W340 HydrophobicContact CE2-CZ3 4.28Å; F119-W340 HydrophobicContact CZ-CE3 4.12Å; F119-W340 AromaticContact CZ-CH2 3.44Å; F119-W340 HydrophobicContact CZ-CH2 3.44Å; F119-W340 VanDerWaalsContact CZ-CH2 3.44Å; F119-W340 HydrophobicContact CZ-CZ2 4.07Å; F119-W340 AromaticContact CZ-CZ3 3.49Å; F119-W340 HydrophobicContact CZ-CZ3 3.49Å; F119-W340 VanDerWaalsContact CZ-CZ3 3.49Å
120	R	93.8	Very high	94.9	Very high	84 Å²	84	39.4 Å²	39.4	32%	0.317	19%	0.193	S	C	.	.	H	α-helix	trans	-59.1	-43.6	178	-74.7	-176.2	64.2	-165.2	-1.8	112.3	H116 E118 L122 N124 S293 D316	H116-R120 WeakPolarHBondContact NE2-CD 3.47Å; H116-R120 WeakPolarHBondContact O-CG 3.29Å; H116-R120 PolarHBondContact O-N 2.77Å; E118-R120 PolarHBondContact O-N 3.47Å; R120-L122 VanDerWaalsContact C-N 3.31Å; R120-L122 PolarHBondContact O-N 2.86Å; R120-N124 VanDerWaalsContact O-CB 3.29Å; R120-N124 WeakPolarHBondContact O-CB 3.44Å; R120-N124 PolarHBondContact O-N 3.27Å; R120-S293 VanDerWaalsContact NE-CB 3.33Å; R120-S293 VanDerWaalsContact NH2-CB 3.35Å; R120-D316 IonicContact CZ-OD2 2.72Å; R120-D316 IonicContact NE-OD2 2.9Å; R120-D316 PolarHBondContact NE-OD2 2.9Å; R120-D316 IonicContact NH2-OD2 2.6Å; R120-D316 PolarHBondContact NH2-OD2 2.64Å
121	Q	92	Very high	94.8	Very high	164 Å²	164	38.1 Å²	38.1	77%	0.766	19%	0.187	S	C	*	.	H	α-helix	trans	-64.7	-33.8	-179.9	-175.5	176.2	0.1	0	0	113	H117 E118 F119	H117-Q121 WeakPolarHBondContact O-CB 3.2Å; H117-Q121 PolarHBondContact O-N 2.88Å; E118-Q121 PolarHBondContact O-N 2.88Å; F119-Q121 VanDerWaalsContact C-N 3.34Å; F119-Q121 PolarHBondContact O-N 3.16Å
122	L	91.2	Very high	94.6	Very high	53 Å²	53	42 Å²	42	28%	0.277	21%	0.205	S	C	.	.	H	α-helix	trans	-84.3	-33.9	-179	-66.8	172.8	0	0	0	113.3	L114 E118 F119 R120 H174 C175	L114-L122 HydrophobicContact CD1-CD1 4.39Å; E118-L122 WeakPolarHBondContact O-CB 3.4Å; E118-L122 VanDerWaalsContact O-CG 3.27Å; E118-L122 WeakPolarHBondContact O-CG 3.17Å; E118-L122 PolarHBondContact O-N 3.32Å; F119-L122 PolarHBondContact O-N 3.48Å; R120-L122 VanDerWaalsContact C-N 3.31Å; R120-L122 PolarHBondContact O-N 2.86Å; L122-H174 HydrophobicContact CD2-CB 4.24Å; L122-C175 CarbonylContact O-C 3.52Å
123	M	93.5	Very high	94.4	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-105	-28.4	-167.6	-54.3	-48.5	-52.1	0	0	114.3	Y111 F119 Q172 G173 W340	Y111-M123 HydrophobicContact CE1-CE 4.09Å; Y111-M123 HydrophobicContact CE1-CG 4.2Å; Y111-M123 HydrophobicContact CE1-SD 3.66Å; Y111-M123 WeakPolarHBondContact OH-CE 3.26Å; F119-M123 HydrophobicContact CD2-CB 4.48Å; F119-M123 HydrophobicContact CD2-CG 3.64Å; F119-M123 HydrophobicContact CE2-CB 4.2Å; F119-M123 HydrophobicContact CE2-CG 3.57Å; F119-M123 HydrophobicContact CG-CG 4.35Å; F119-M123 HydrophobicContact CZ-CB 4.36Å; F119-M123 HydrophobicContact CZ-CG 4.22Å; F119-M123 WeakPolarHBondContact O-CB 3.19Å; F119-M123 VanDerWaalsContact O-CG 3.27Å; F119-M123 WeakPolarHBondContact O-CG 3.21Å; F119-M123 PolarHBondContact O-N 2.77Å; M123-Q172 HydrophobicContact CE-CG 3.58Å; M123-Q172 PolarHBondContact O-NE2 3.23Å; M123-G173 WeakPolarHBondContact CE-O 3.49Å; M123-G173 VanDerWaalsContact SD-O 3.39Å; M123-W340 HydrophobicContact CB-CZ2 3.77Å; M123-W340 HydrophobicContact CE-CD2 4.33Å; M123-W340 HydrophobicContact CE-CG 3.89Å
124	N	94.3	Very high	94.2	Very high	21 Å²	21	49.1 Å²	49.1	11%	0.112	24%	0.239	C	C	.	.			trans	-101.3	104.4	-171.7	-60.5	8.8	0	0	0	109.5	R120 A292 D316	R120-N124 VanDerWaalsContact O-CB 3.29Å; R120-N124 WeakPolarHBondContact O-CB 3.44Å; R120-N124 PolarHBondContact O-N 3.27Å; N124-A292 PolarHBondContact ND2-O 3.15Å; N124-D316 CarbonylContact C-O 3.57Å; N124-D316 WeakPolarHBondContact CA-O 3.33Å; N124-D316 HydrophobicContact CB-CB 4.07Å; N124-D316 WeakPolarHBondContact CB-O 3.36Å; N124-D316 PolarHBondContact ND2-OD1 2.91Å; N124-D316 VanDerWaalsContact ND2-OD1 3.1Å; N124-D316 PolarHBondContact ND2-OD2 2.9Å
125	G	95	Very high	94	Very high	7 Å²	7	50.3 Å²	50.3	7%	0.072	24%	0.242	C	C	.	.			trans	-118.8	9.5	-171.4	0	0	0	0	0	116.2	G176 C178 G220 G221 D316	G125-G176 WeakPolarHBondContact CA-O 3.39Å; G125-C178 VanDerWaalsContact C-SG 3.54Å; G125-C178 VanDerWaalsContact CA-SG 3.53Å; G125-C178 PolarHBondContact N-SG 3.29Å; G125-G220 CarbonylContact O-C 3.46Å; G125-G220 WeakPolarHBondContact O-CA 3.11Å; G125-G221 PolarHBondContact O-N 3.31Å; G125-D316 PolarHBondContact N-O 3.44Å; G125-D316 VanDerWaalsContact N-O 3.15Å
126	F	96.1	Very high	93.8	Very high	11 Å²	11	52.5 Å²	52.5	5%	0.048	27%	0.267	C	S	.	.	B	Isolated β-bridge	trans	-86.2	121.5	176.8	178.4	-98.8	0	0	0	110.8	Y128 H131 C178 L222 M223 A289 L315 D316 A365	F126-Y128 AromaticContact CE1-CD2 3.74Å; F126-Y128 HydrophobicContact CE1-CD2 3.74Å; F126-Y128 HydrophobicContact CE1-CG 4.1Å; F126-Y128 HydrophobicContact CZ-CD2 4.31Å; F126-Y128 PolarHBondContact O-N 3.24Å; F126-H131 HydrophobicContact CZ-CB 4.2Å; F126-C178 PolarHBondContact N-SG 3.33Å; F126-L222 HydrophobicContact CD2-CD2 3.93Å; F126-L222 HydrophobicContact CE2-CD2 3.5Å; F126-L222 VanDerWaalsContact CE2-CD2 3.5Å; F126-L222 HydrophobicContact CZ-CD2 3.92Å; F126-M223 HydrophobicContact CD2-CE 4.03Å; F126-M223 HydrophobicContact CD2-SD 3.55Å; F126-M223 VanDerWaalsContact CD2-SD 3.55Å; F126-M223 HydrophobicContact CE2-CE 3.74Å; F126-M223 HydrophobicContact CE2-SD 3.69Å; F126-A289 HydrophobicContact CD1-CB 3.37Å; F126-A289 HydrophobicContact CD2-CB 4Å; F126-A289 HydrophobicContact CE1-CB 3.24Å; F126-A289 HydrophobicContact CE2-CB 3.9Å; F126-A289 HydrophobicContact CG-CB 3.74Å; F126-A289 HydrophobicContact CZ-CB 3.53Å; F126-L315 HydrophobicContact CD1-CB 4.05Å; F126-L315 HydrophobicContact CE1-CB 4.05Å; F126-L315 HydrophobicContact CE1-CD1 4.4Å; F126-D316 PolarHBondContact N-O 3.49Å; F126-A365 HydrophobicContact CZ-CB 4.14Å
127	N	94.1	Very high	93.7	Very high	57 Å²	57	54.9 Å²	54.9	31%	0.305	29%	0.292	S	S	.	.			trans	-95.1	79.1	-174.6	-168.6	-24.9	0	0	0	112.4	T129 L130 H131 G221 L222	N127-T129 PolarHBondContact O-N 2.84Å; N127-T129 PolarHBondContact OD1-N 2.93Å; N127-L130 HydrophobicContact CB-CB 3.96Å; N127-L130 VanDerWaalsContact CG-CB 3.41Å; N127-L130 WeakPolarHBondContact O-CB 3.39Å; N127-L130 PolarHBondContact O-N 3.37Å; N127-L130 VanDerWaalsContact O-N 3.11Å; N127-L130 WeakPolarHBondContact OD1-CB 3.45Å; N127-L130 PolarHBondContact OD1-N 3.4Å; N127-H131 PolarHBondContact O-N 2.88Å; N127-G221 PolarHBondContact N-O 3.48Å; N127-L222 WeakPolarHBondContact O-CD2 3.12Å
128	Y	94.4	Very high	93.5	Very high	14 Å²	14	52.5 Å²	52.5	6%	0.055	28%	0.284	C	S	.	.	H	α-helix	trans	-63.9	-24.5	-176.4	-169.6	-133.6	0	0	0	114.6	F126 H131 K132 Q313 L315 A365	F126-Y128 AromaticContact CE1-CD2 3.74Å; F126-Y128 HydrophobicContact CE1-CD2 3.74Å; F126-Y128 HydrophobicContact CE1-CG 4.1Å; F126-Y128 HydrophobicContact CZ-CD2 4.31Å; F126-Y128 PolarHBondContact O-N 3.24Å; Y128-H131 HydrophobicContact CD2-CB 4.13Å; Y128-H131 AromaticContact CD2-ND1 3.61Å; Y128-H131 AromaticContact CE2-ND1 3.54Å; Y128-K132 HydrophobicContact CD1-CD 4.23Å; Y128-K132 HydrophobicContact CD2-CG 4.34Å; Y128-K132 HydrophobicContact CE1-CD 3.76Å; Y128-K132 HydrophobicContact CE1-CG 4.4Å; Y128-K132 VanDerWaalsContact CE1-NZ 3.26Å; Y128-K132 HydrophobicContact CE2-CD 4.27Å; Y128-K132 HydrophobicContact CE2-CG 4.04Å; Y128-K132 WeakPolarHBondContact O-CG 3.41Å; Y128-K132 PolarHBondContact O-N 2.94Å; Y128-Q313 WeakPolarHBondContact CD1-O 3.24Å; Y128-Q313 VanDerWaalsContact CE1-O 3.29Å; Y128-Q313 WeakPolarHBondContact CE1-O 3.45Å; Y128-L315 WeakPolarHBondContact CB-O 3.45Å; Y128-L315 HydrophobicContact CD1-CB 4.24Å; Y128-L315 HydrophobicContact CD1-CD1 4.29Å; Y128-L315 HydrophobicContact CD1-CG 3.93Å; Y128-L315 HydrophobicContact CD2-CB 4.41Å; Y128-L315 HydrophobicContact CD2-CD1 3.75Å; Y128-L315 HydrophobicContact CD2-CG 4.21Å; Y128-L315 HydrophobicContact CE1-CD1 4.16Å; Y128-L315 HydrophobicContact CE1-CG 4.03Å; Y128-L315 HydrophobicContact CE2-CD1 3.59Å; Y128-L315 HydrophobicContact CE2-CG 4.29Å; Y128-L315 HydrophobicContact CG-CB 4.02Å; Y128-L315 HydrophobicContact CG-CD1 4.09Å; Y128-L315 HydrophobicContact CG-CG 4.02Å; Y128-A365 HydrophobicContact CE2-CB 4.49Å
129	T	93.3	Very high	93.3	Very high	84 Å²	84	56.7 Å²	56.7	52%	0.515	30%	0.303	S	S	.	.	H	α-helix	trans	-65.5	-49.1	172	-64.6	0	0	0	0	110.7	N127 H131 K132 Q133	N127-T129 PolarHBondContact O-N 2.84Å; N127-T129 PolarHBondContact OD1-N 2.93Å; T129-H131 VanDerWaalsContact C-N 3.35Å; T129-H131 PolarHBondContact O-N 2.92Å; T129-K132 PolarHBondContact O-N 2.99Å; T129-Q133 WeakPolarHBondContact O-CB 3.45Å; T129-Q133 VanDerWaalsContact O-CG 3.29Å; T129-Q133 WeakPolarHBondContact O-CG 3.42Å; T129-Q133 PolarHBondContact O-N 3.33Å
130	L	92.8	Very high	93	Very high	32 Å²	32	59.2 Å²	59.2	17%	0.168	32%	0.321	C	S	.	.	H	α-helix	trans	-61.3	-42.9	175.1	-177.8	66	0	0	0	111.4	N127 K132 Q133 L134 G214 L222	N127-L130 HydrophobicContact CB-CB 3.96Å; N127-L130 VanDerWaalsContact CG-CB 3.41Å; N127-L130 WeakPolarHBondContact O-CB 3.39Å; N127-L130 PolarHBondContact O-N 3.37Å; N127-L130 VanDerWaalsContact O-N 3.11Å; N127-L130 WeakPolarHBondContact OD1-CB 3.45Å; N127-L130 PolarHBondContact OD1-N 3.4Å; L130-K132 PolarHBondContact O-N 2.78Å; L130-Q133 PolarHBondContact O-N 2.96Å; L130-L134 HydrophobicContact CD1-CD1 3.79Å; L130-L134 HydrophobicContact CD1-CD2 4.24Å; L130-L134 HydrophobicContact CD1-CG 3.82Å; L130-L134 HydrophobicContact CD2-CD1 4.28Å; L130-L134 HydrophobicContact CG-CD1 3.66Å; L130-L134 HydrophobicContact CG-CG 4.1Å; L130-L134 WeakPolarHBondContact O-CB 3.46Å; L130-L134 WeakPolarHBondContact O-CG 2.98Å; L130-L134 PolarHBondContact O-N 3.27Å; L130-G214 WeakPolarHBondContact CD2-O 3.34Å; L130-L222 HydrophobicContact CD2-CD1 4.41Å; L130-L222 HydrophobicContact CG-CD1 4.27Å
131	H	93.9	Very high	92.9	Very high	7 Å²	7	56.9 Å²	56.9	3%	0.032	31%	0.314	C	S	.	.	H	α-helix	trans	-54.2	-50.1	175.2	178.1	-101.2	0	0	0	112.2	F126 N127 Y128 T129 R135 L222 D224	F126-H131 HydrophobicContact CZ-CB 4.2Å; N127-H131 PolarHBondContact O-N 2.88Å; Y128-H131 HydrophobicContact CD2-CB 4.13Å; Y128-H131 AromaticContact CD2-ND1 3.61Å; Y128-H131 AromaticContact CE2-ND1 3.54Å; T129-H131 VanDerWaalsContact C-N 3.35Å; T129-H131 PolarHBondContact O-N 2.92Å; H131-R135 WeakPolarHBondContact NE2-CD 3.35Å; H131-R135 WeakPolarHBondContact O-CB 3.4Å; H131-R135 VanDerWaalsContact O-CG 3.28Å; H131-R135 WeakPolarHBondContact O-CG 3.46Å; H131-R135 PolarHBondContact O-N 3.15Å; H131-L222 HydrophobicContact CB-CD1 3.97Å; H131-L222 HydrophobicContact CB-CD2 3.71Å; H131-D224 IonicContact NE2-OD2 2.83Å
132	K	93.5	Very high	93	Very high	86 Å²	86	52.7 Å²	52.7	37%	0.374	29%	0.293	S	S	.	.	H	α-helix	trans	-65.2	-40.8	178	-73.9	-175.5	-71.3	-162.4	0	112.1	Y128 T129 L130 A136	Y128-K132 HydrophobicContact CD1-CD 4.23Å; Y128-K132 HydrophobicContact CD2-CG 4.34Å; Y128-K132 HydrophobicContact CE1-CD 3.76Å; Y128-K132 HydrophobicContact CE1-CG 4.4Å; Y128-K132 VanDerWaalsContact CE1-NZ 3.26Å; Y128-K132 HydrophobicContact CE2-CD 4.27Å; Y128-K132 HydrophobicContact CE2-CG 4.04Å; Y128-K132 WeakPolarHBondContact O-CG 3.41Å; Y128-K132 PolarHBondContact O-N 2.94Å; T129-K132 PolarHBondContact O-N 2.99Å; L130-K132 PolarHBondContact O-N 2.78Å; K132-A136 VanDerWaalsContact O-CB 3.28Å; K132-A136 WeakPolarHBondContact O-CB 3.33Å; K132-A136 PolarHBondContact O-N 2.79Å
133	Q	93.6	Very high	93.1	Very high	120 Å²	120	50.9 Å²	50.9	56%	0.561	29%	0.287	S	S	*	.	H	α-helix	trans	-64.9	-51.4	179.4	-74.4	172	-8.9	0	0	112.3	T129 L130 R135 A136 A137	T129-Q133 WeakPolarHBondContact O-CB 3.45Å; T129-Q133 VanDerWaalsContact O-CG 3.29Å; T129-Q133 WeakPolarHBondContact O-CG 3.42Å; T129-Q133 PolarHBondContact O-N 3.33Å; L130-Q133 PolarHBondContact O-N 2.96Å; Q133-R135 PolarHBondContact O-N 2.89Å; Q133-A136 PolarHBondContact O-N 3.31Å; Q133-A137 WeakPolarHBondContact O-CB 3.42Å; Q133-A137 PolarHBondContact O-N 3.14Å
134	L	92.7	Very high	93.3	Very high	35 Å²	35	55 Å²	55	18%	0.183	31%	0.312	C	S	.	.	H	α-helix	trans	-62.7	-45.7	-177.5	-67.7	174.9	0	0	0	111.7	L130 A136 A137 D138 F141 L222	L130-L134 HydrophobicContact CD1-CD1 3.79Å; L130-L134 HydrophobicContact CD1-CD2 4.24Å; L130-L134 HydrophobicContact CD1-CG 3.82Å; L130-L134 HydrophobicContact CD2-CD1 4.28Å; L130-L134 HydrophobicContact CG-CD1 3.66Å; L130-L134 HydrophobicContact CG-CG 4.1Å; L130-L134 WeakPolarHBondContact O-CB 3.46Å; L130-L134 WeakPolarHBondContact O-CG 2.98Å; L130-L134 PolarHBondContact O-N 3.27Å; L134-A136 PolarHBondContact O-N 3.17Å; L134-A137 PolarHBondContact O-N 3.15Å; L134-A137 VanDerWaalsContact O-N 3.1Å; L134-D138 PolarHBondContact O-N 3.26Å; L134-F141 HydrophobicContact CB-CB 4.25Å; L134-F141 HydrophobicContact CB-CD1 3.68Å; L134-F141 HydrophobicContact CB-CD2 4.24Å; L134-F141 HydrophobicContact CB-CE1 4.09Å; L134-F141 HydrophobicContact CB-CG 3.77Å; L134-F141 HydrophobicContact CD1-CD1 3.81Å; L134-F141 HydrophobicContact CD1-CE1 3.69Å; L134-F141 HydrophobicContact CD1-CZ 4.48Å; L134-F141 HydrophobicContact CD2-CD1 4.4Å; L134-F141 HydrophobicContact CD2-CE1 3.92Å; L134-F141 HydrophobicContact CD2-CE2 4.34Å; L134-F141 HydrophobicContact CD2-CZ 3.89Å; L134-F141 HydrophobicContact CG-CD1 4.17Å; L134-F141 HydrophobicContact CG-CE1 4.11Å; L134-L222 HydrophobicContact CD1-CD1 4.01Å
135	R	92.1	Very high	93.4	Very high	37 Å²	37	58.9 Å²	58.9	14%	0.14	34%	0.337	C	S	.	.	H	α-helix	trans	-70.9	-16.9	-179.9	-64.7	175.5	65.5	102.5	10.8	114	H131 Q133 F141 K142 D224 D267	H131-R135 WeakPolarHBondContact NE2-CD 3.35Å; H131-R135 WeakPolarHBondContact O-CB 3.4Å; H131-R135 VanDerWaalsContact O-CG 3.28Å; H131-R135 WeakPolarHBondContact O-CG 3.46Å; H131-R135 PolarHBondContact O-N 3.15Å; Q133-R135 PolarHBondContact O-N 2.89Å; R135-F141 HydrophobicContact CG-CB 4.1Å; R135-K142 HydrophobicContact CB-CG 4.48Å; R135-K142 HydrophobicContact CG-CG 4.49Å; R135-K142 WeakPolarHBondContact O-CE 3.01Å; R135-D224 IonicContact NH1-OD2 2.81Å; R135-D224 PolarHBondContact NH1-OD2 3.22Å; R135-D267 IonicContact CZ-OD1 2.7Å; R135-D267 IonicContact CZ-OD2 3.88Å; R135-D267 VanDerWaalsContact CZ-OD2 3.23Å; R135-D267 VanDerWaalsContact NH1-CG 3.25Å; R135-D267 IonicContact NH1-OD1 3.33Å; R135-D267 PolarHBondContact NH1-OD1 2.91Å; R135-D267 IonicContact NH1-OD2 2.74Å; R135-D267 PolarHBondContact NH1-OD2 3.48Å; R135-D267 IonicContact NH2-OD1 2.64Å; R135-D267 IonicContact NH2-OD2 2.66Å; R135-D267 PolarHBondContact NH2-OD2 3.32Å
136	A	93.4	Very high	93.5	Very high	90 Å²	90	59 Å²	59	74%	0.744	34%	0.335	S	S	*	.	H	α-helix	trans	-89.1	-23.6	170.5	0	0	0	0	0	112.8	K132 Q133 L134	K132-A136 VanDerWaalsContact O-CB 3.28Å; K132-A136 WeakPolarHBondContact O-CB 3.33Å; K132-A136 PolarHBondContact O-N 2.79Å; Q133-A136 PolarHBondContact O-N 3.31Å; L134-A136 PolarHBondContact O-N 3.17Å
137	A	93.3	Very high	93.5	Very high	86 Å²	86	65.3 Å²	65.3	71%	0.711	37%	0.368	S	S	*	.	H	α-helix	trans	-87.2	-37.2	-177.8	0	0	0	0	0	113.5	Q133 L134	Q133-A137 WeakPolarHBondContact O-CB 3.42Å; Q133-A137 PolarHBondContact O-N 3.14Å; L134-A137 PolarHBondContact O-N 3.15Å; L134-A137 VanDerWaalsContact O-N 3.1Å
138	D	89.9	Confident	93.5	Very high	72 Å²	72	64.6 Å²	64.6	39%	0.385	37%	0.367	S	S	.	.			trans	-149.3	129.9	-175.2	171.5	19.2	0	0	0	111.9	L134 S140 F141	L134-D138 PolarHBondContact O-N 3.26Å; D138-S140 VanDerWaalsContact CG-OG 3.29Å; D138-S140 PolarHBondContact O-N 3.23Å; D138-S140 WeakPolarHBondContact OD1-CB 3.09Å; D138-S140 PolarHBondContact OD1-N 3.25Å; D138-S140 VanDerWaalsContact OD2-CB 3.3Å; D138-S140 WeakPolarHBondContact OD2-CB 3.43Å; D138-S140 PolarHBondContact OD2-OG 3.1Å; D138-F141 HydrophobicContact CB-CD2 3.82Å; D138-F141 HydrophobicContact CB-CE2 4.03Å; D138-F141 PolarHBondContact O-N 2.87Å
139	E	90.8	Very high	93.3	Very high	130 Å²	130	66.6 Å²	66.6	61%	0.607	38%	0.382	S	S	*	.	G	3₁₀ helix	trans	-61.9	-21.6	176.7	-62.9	-63.4	141.1	0	0	112.6	F141 K142	E139-F141 PolarHBondContact O-N 3.17Å; E139-F141 VanDerWaalsContact O-N 3.14Å; E139-K142 PolarHBondContact O-N 3.24Å; E139-K142 IonicContact OE1-NZ 2.71Å; E139-K142 PolarHBondContact OE1-NZ 2.79Å; E139-K142 WeakPolarHBondContact OE2-CD 2.99Å; E139-K142 VanDerWaalsContact OE2-CE 3.3Å; E139-K142 WeakPolarHBondContact OE2-CE 3.38Å; E139-K142 IonicContact OE2-NZ 2.65Å; E139-K142 PolarHBondContact OE2-NZ 2.02Å
140	S	89.3	Confident	93.2	Very high	54 Å²	54	66.6 Å²	66.6	38%	0.378	39%	0.391	S	S	.	.	G	3₁₀ helix	trans	-63.3	-16.9	176.6	90.1	0	0	0	0	114.1	D138 K142 R228	D138-S140 VanDerWaalsContact CG-OG 3.29Å; D138-S140 PolarHBondContact O-N 3.23Å; D138-S140 WeakPolarHBondContact OD1-CB 3.09Å; D138-S140 PolarHBondContact OD1-N 3.25Å; D138-S140 VanDerWaalsContact OD2-CB 3.3Å; D138-S140 WeakPolarHBondContact OD2-CB 3.43Å; D138-S140 PolarHBondContact OD2-OG 3.1Å; S140-K142 VanDerWaalsContact C-N 3.33Å; S140-R228 VanDerWaalsContact C-NH1 3.35Å; S140-R228 PolarHBondContact O-NH1 2.8Å; S140-R228 PolarHBondContact OG-NH1 2.93Å; S140-R228 PolarHBondContact OG-NH2 3.43Å
141	F	91.9	Very high	92.8	Very high	35 Å²	35	74.3 Å²	74.3	15%	0.154	43%	0.426	C	S	.	.	G	3₁₀ helix	trans	-86	0	174.1	-68.4	-91.5	0	0	0	113.8	L134 R135 D138 E139 N225 R228	L134-F141 HydrophobicContact CB-CB 4.25Å; L134-F141 HydrophobicContact CB-CD1 3.68Å; L134-F141 HydrophobicContact CB-CD2 4.24Å; L134-F141 HydrophobicContact CB-CE1 4.09Å; L134-F141 HydrophobicContact CB-CG 3.77Å; L134-F141 HydrophobicContact CD1-CD1 3.81Å; L134-F141 HydrophobicContact CD1-CE1 3.69Å; L134-F141 HydrophobicContact CD1-CZ 4.48Å; L134-F141 HydrophobicContact CD2-CD1 4.4Å; L134-F141 HydrophobicContact CD2-CE1 3.92Å; L134-F141 HydrophobicContact CD2-CE2 4.34Å; L134-F141 HydrophobicContact CD2-CZ 3.89Å; L134-F141 HydrophobicContact CG-CD1 4.17Å; L134-F141 HydrophobicContact CG-CE1 4.11Å; R135-F141 HydrophobicContact CG-CB 4.1Å; D138-F141 HydrophobicContact CB-CD2 3.82Å; D138-F141 HydrophobicContact CB-CE2 4.03Å; D138-F141 PolarHBondContact O-N 2.87Å; E139-F141 PolarHBondContact O-N 3.17Å; E139-F141 VanDerWaalsContact O-N 3.14Å; F141-N225 WeakPolarHBondContact CD1-OD1 3.42Å; F141-R228 VanDerWaalsContact CD2-NH1 3.35Å
142	K	93.9	Very high	92.4	Very high	75 Å²	75	76.7 Å²	76.7	33%	0.326	44%	0.441	S	S	.	.	S	Bend	trans	-101.5	140.7	175.1	-53.9	-176.7	-163.1	161.7	0	110.1	R135 E139 S140	R135-K142 HydrophobicContact CB-CG 4.48Å; R135-K142 HydrophobicContact CG-CG 4.49Å; R135-K142 WeakPolarHBondContact O-CE 3.01Å; E139-K142 PolarHBondContact O-N 3.24Å; E139-K142 IonicContact OE1-NZ 2.71Å; E139-K142 PolarHBondContact OE1-NZ 2.79Å; E139-K142 WeakPolarHBondContact OE2-CD 2.99Å; E139-K142 VanDerWaalsContact OE2-CE 3.3Å; E139-K142 WeakPolarHBondContact OE2-CE 3.38Å; E139-K142 IonicContact OE2-NZ 2.65Å; E139-K142 PolarHBondContact OE2-NZ 2.02Å; S140-K142 VanDerWaalsContact C-N 3.33Å
143	G	94.4	Very high	92.3	Very high	16 Å²	16	79 Å²	79	17%	0.165	46%	0.462	C	S	.	.			trans	-74.4	178.3	172.2	0	0	0	0	0	111.4	F265 D267	G143-F265 CarbonylContact C-O 3.5Å; G143-F265 WeakPolarHBondContact CA-O 3.5Å; G143-D267 PolarHBondContact N-OD2 3.25Å
144	V	96.5	Very high	92.3	Very high	86 Å²	86	76 Å²	76	52%	0.521	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	143.8	165.9	-60.4	0	0	0	0	109.3	F146 F265 T266 D267 L370	V144-F146 PolarHBondContact O-N 3.41Å; V144-F265 PolarHBondContact N-O 3.06Å; V144-T266 HydrophobicContact CG2-CG2 4.13Å; V144-T266 WeakPolarHBondContact CG2-OG1 3.44Å; V144-T266 CarbonylContact O-C 3.49Å; V144-T266 WeakPolarHBondContact O-CA 3.39Å; V144-T266 WeakPolarHBondContact O-CG2 3.34Å; V144-D267 PolarHBondContact O-N 3.37Å; V144-L370 HydrophobicContact CG2-CD1 3.96Å
145	T	96.1	Very high	92.5	Very high	103 Å²	103	77.4 Å²	77.4	63%	0.632	46%	0.461	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.2	130.7	-178.7	-50.8	0	0	0	0	111.2	I147	T145-I147 PolarHBondContact O-N 3.28Å
146	F	97.3	Very high	92.7	Very high	9 Å²	9	84.8 Å²	84.8	4%	0.039	49%	0.494	C	S	.	.	P	Polyproline II helix	trans	-62.7	124.6	170.4	178.3	-106.5	0	0	0	110.9	V144 T266 D267 I268 K275 E278 A279 V283 Y368	V144-F146 PolarHBondContact O-N 3.41Å; F146-T266 HydrophobicContact CB-CG2 3.69Å; F146-T266 HydrophobicContact CD2-CG2 4.43Å; F146-D267 WeakPolarHBondContact CB-O 3.44Å; F146-D267 PolarHBondContact N-O 3.27Å; F146-I268 HydrophobicContact CB-CG1 4.05Å; F146-I268 HydrophobicContact CG-CG1 4.22Å; F146-K275 HydrophobicContact CD1-CB 3.96Å; F146-K275 HydrophobicContact CD1-CD 4.18Å; F146-K275 HydrophobicContact CD1-CG 4.3Å; F146-K275 HydrophobicContact CE1-CB 3.99Å; F146-K275 HydrophobicContact CE1-CG 4.28Å; F146-K275 WeakPolarHBondContact CE1-O 3.39Å; F146-E278 HydrophobicContact CE1-CB 4.11Å; F146-E278 HydrophobicContact CZ-CB 4.03Å; F146-A279 HydrophobicContact CD2-CB 4.2Å; F146-A279 HydrophobicContact CE1-CB 4.3Å; F146-A279 HydrophobicContact CE2-CB 3.81Å; F146-A279 HydrophobicContact CZ-CB 3.86Å; F146-V283 HydrophobicContact CE2-CG2 4.27Å; F146-Y368 HydrophobicContact CD2-CE1 4.08Å; F146-Y368 WeakPolarHBondContact CD2-OH 3.41Å
147	I	95.7	Very high	92.9	Very high	143 Å²	143	84.1 Å²	84.1	73%	0.733	48%	0.484	S	S	*	.			trans	-110.1	117.3	172	-59.3	176.5	0	0	0	107.7	T145	T145-I147 PolarHBondContact O-N 3.28Å
148	S	93.9	Very high	93.1	Very high	42 Å²	42	80.3 Å²	80.3	29%	0.294	45%	0.452	S	S	.	.	P	Polyproline II helix	trans	-47.8	121.8	173.5	-58.7	0	0	0	0	111.3	A150 E278	S148-A150 PolarHBondContact O-N 2.94Å; S148-E278 WeakPolarHBondContact CB-OE2 3.17Å; S148-E278 PolarHBondContact OG-OE2 3.27Å
149	P	91.9	Very high	93.5	Very high	57 Å²	57	78.5 Å²	78.5	37%	0.37	44%	0.442	S	S	.	.	P	Polyproline II helix	trans	-66.9	134.3	178	-14	26.6	0	0	0	110.5	V152 T282	P149-V152 HydrophobicContact CB-CG2 3.74Å; P149-V152 HydrophobicContact CG-CG2 4.29Å; P149-T282 HydrophobicContact CG-CG2 4.43Å
150	A	89.9	Confident	93.9	Very high	84 Å²	84	73.2 Å²	73.2	69%	0.694	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	141	-175.8	0	0	0	0	0	112	S148 V152	S148-A150 PolarHBondContact O-N 2.94Å; A150-V152 VanDerWaalsContact C-N 3.26Å; A150-V152 PolarHBondContact O-N 3.43Å
151	H	85.5	Confident	94.4	Very high	193 Å²	193	75.2 Å²	75.2	89%	0.894	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	60	23.6	175.5	-48.5	-71.9	0	0	0	116.2	T153	H151-T153 PolarHBondContact O-N 3.2Å
152	V	85.5	Confident	94.6	Very high	58 Å²	58	79 Å²	79	35%	0.352	44%	0.442	S	S	.	.			trans	-73.7	117.3	172.3	170.7	0	0	0	0	111.2	P149 A150 L154 T282	P149-V152 HydrophobicContact CB-CG2 3.74Å; P149-V152 HydrophobicContact CG-CG2 4.29Å; A150-V152 VanDerWaalsContact C-N 3.26Å; A150-V152 PolarHBondContact O-N 3.43Å; V152-L154 HydrophobicContact CG1-CD2 3.65Å; V152-L154 HydrophobicContact CG1-CG 4.44Å; V152-T282 HydrophobicContact CG1-CG2 3.81Å; V152-T282 HydrophobicContact CG2-CG2 4.03Å
153	T	91.5	Very high	94.8	Very high	133 Å²	133	80.1 Å²	80.1	82%	0.816	45%	0.447	S	S	*	.			trans	-86.7	114.5	161.5	-58.7	0	0	0	0	108.5	H151	H151-T153 PolarHBondContact O-N 3.2Å
154	L	93.9	Very high	94.9	Very high	57 Å²	57	80.8 Å²	80.8	30%	0.298	45%	0.454	S	S	.	.			trans	-70.1	140.7	178	-59	177.8	0	0	0	111.2	V152 A277 E278 A281	V152-L154 HydrophobicContact CG1-CD2 3.65Å; V152-L154 HydrophobicContact CG1-CG 4.44Å; L154-A277 HydrophobicContact CD1-CB 3.98Å; L154-E278 HydrophobicContact CD1-CG 4.02Å; L154-E278 HydrophobicContact CD2-CB 4.34Å; L154-E278 HydrophobicContact CD2-CG 4Å; L154-E278 HydrophobicContact CG-CG 4.4Å; L154-A281 HydrophobicContact CD2-CB 3.66Å
155	P	95.7	Very high	95	Very high	66 Å²	66	76.7 Å²	76.7	43%	0.429	43%	0.429	S	S	.	.			trans	-66.6	154.3	167.3	32.5	-36.3	0	0	0	109.8	S157 V158 F324	P155-S157 PolarHBondContact O-N 3.12Å; P155-V158 HydrophobicContact CG-CG2 3.55Å; P155-F324 WeakPolarHBondContact O-CE2 3.37Å
156	K	95.6	Very high	95.2	Very high	192 Å²	192	72.7 Å²	72.7	84%	0.835	40%	0.404	S	S	*	.	S	Bend	trans	-62.5	-26.9	177.3	-66.3	-173.2	176.9	-174.2	0	113.3
157	S	98.2	Very high	95.2	Very high	76 Å²	76	72.9 Å²	72.9	53%	0.531	41%	0.406	S	S	.	.			trans	-146.7	154.2	176.1	55.8	0	0	0	0	111.3	P155 F324	P155-S157 PolarHBondContact O-N 3.12Å; S157-F324 CarbonylContact C-O 3.57Å; S157-F324 WeakPolarHBondContact CA-O 3.27Å; S157-F324 WeakPolarHBondContact CB-O 3.22Å
158	V	98.5	Very high	95.4	Very high	6 Å²	6	70 Å²	70	4%	0.036	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	133.8	174.4	178.2	0	0	0	0	107.4	P155 W160 V280 A281 G323 F324	P155-V158 HydrophobicContact CG-CG2 3.55Å; V158-W160 HydrophobicContact CG1-CG 4.41Å; V158-V280 HydrophobicContact CG1-CG1 4.28Å; V158-A281 HydrophobicContact CG2-CB 4.07Å; V158-G323 CarbonylContact O-C 3.52Å; V158-G323 WeakPolarHBondContact O-CA 3.46Å; V158-F324 HydrophobicContact CB-CD1 4.13Å; V158-F324 HydrophobicContact CB-CE1 3.97Å; V158-F324 HydrophobicContact CB-CZ 4.28Å; V158-F324 HydrophobicContact CG2-CD1 4.16Å; V158-F324 HydrophobicContact CG2-CE1 3.51Å; V158-F324 HydrophobicContact CG2-CE2 4.09Å; V158-F324 HydrophobicContact CG2-CZ 3.47Å; V158-F324 VanDerWaalsContact CG2-CZ 3.47Å; V158-F324 PolarHBondContact N-O 3.22Å; V158-F324 PolarHBondContact O-N 2.98Å; V158-F324 VanDerWaalsContact O-O 3.14Å
159	D	98.7	Very high	95.6	Very high	34 Å²	34	69.1 Å²	69.1	18%	0.182	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	104.2	168	-175.2	-19.1	0	0	0	108.6	R161 T162 L335	D159-R161 PolarHBondContact O-N 3.02Å; D159-R161 WeakPolarHBondContact OD1-CA 3.41Å; D159-R161 WeakPolarHBondContact OD1-CB 3.43Å; D159-R161 WeakPolarHBondContact OD1-CG 3.3Å; D159-R161 IonicContact OD1-CZ 3.71Å; D159-R161 PolarHBondContact OD1-N 3.27Å; D159-R161 IonicContact OD1-NE 2.66Å; D159-R161 PolarHBondContact OD1-NE 2.81Å; D159-R161 IonicContact OD2-CZ 3.83Å; D159-R161 VanDerWaalsContact OD2-CZ 3.29Å; D159-R161 IonicContact OD2-NE 2.73Å; D159-R161 PolarHBondContact OD2-NE 3.41Å; D159-R161 IonicContact OD2-NH2 2.76Å; D159-R161 PolarHBondContact OD2-NH2 3.49Å; D159-T162 HydrophobicContact CB-CG2 4.07Å; D159-T162 PolarHBondContact O-N 3.18Å; D159-T162 PolarHBondContact O-OG1 2.98Å; D159-L335 HydrophobicContact CB-CD2 4.23Å
160	W	98.7	Very high	95.9	Very high	18 Å²	18	68 Å²	68	7%	0.068	39%	0.386	C	S	.	.	S	Bend	trans	-69.5	-15.6	-179.3	-76.8	108.8	0	0	0	113.7	V158 K163 G164 A165 V166 R193 V280 P285 V322	V158-W160 HydrophobicContact CG1-CG 4.41Å; W160-K163 HydrophobicContact CD2-CD 4.02Å; W160-K163 HydrophobicContact CE3-CB 3.83Å; W160-K163 HydrophobicContact CE3-CD 3.42Å; W160-K163 VanDerWaalsContact CE3-CD 3.42Å; W160-K163 HydrophobicContact CE3-CG 4.25Å; W160-K163 HydrophobicContact CH2-CD 4.02Å; W160-K163 HydrophobicContact CZ3-CB 4.23Å; W160-K163 HydrophobicContact CZ3-CD 3.43Å; W160-K163 VanDerWaalsContact CZ3-CD 3.43Å; W160-K163 HydrophobicContact CZ3-CG 4.49Å; W160-K163 PolarHBondContact O-N 3.37Å; W160-G164 PolarHBondContact O-N 3.35Å; W160-A165 HydrophobicContact CB-CB 4.24Å; W160-A165 HydrophobicContact CD2-CB 4.35Å; W160-A165 HydrophobicContact CE3-CB 3.67Å; W160-A165 HydrophobicContact CZ3-CB 4.47Å; W160-A165 PolarHBondContact O-N 3.23Å; W160-V166 HydrophobicContact CB-CG2 3.71Å; W160-R193 HydrophobicContact CZ3-CG 4.21Å; W160-V280 PolarHBondContact NE1-O 2.79Å; W160-P285 HydrophobicContact CB-CG 4.04Å; W160-P285 HydrophobicContact CG-CG 4.12Å; W160-V322 WeakPolarHBondContact CB-O 3.27Å; W160-V322 VanDerWaalsContact CD1-O 3.24Å; W160-V322 PolarHBondContact N-O 2.95Å
161	R	98.5	Very high	96.3	Very high	96 Å²	96	67.1 Å²	67.1	36%	0.362	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-45	172.3	-50.4	173.9	-63.3	-176.1	2	109.9	D159 K163 G164 V166 V322 F349	D159-R161 PolarHBondContact O-N 3.02Å; D159-R161 WeakPolarHBondContact OD1-CA 3.41Å; D159-R161 WeakPolarHBondContact OD1-CB 3.43Å; D159-R161 WeakPolarHBondContact OD1-CG 3.3Å; D159-R161 IonicContact OD1-CZ 3.71Å; D159-R161 PolarHBondContact OD1-N 3.27Å; D159-R161 IonicContact OD1-NE 2.66Å; D159-R161 PolarHBondContact OD1-NE 2.81Å; D159-R161 IonicContact OD2-CZ 3.83Å; D159-R161 VanDerWaalsContact OD2-CZ 3.29Å; D159-R161 IonicContact OD2-NE 2.73Å; D159-R161 PolarHBondContact OD2-NE 3.41Å; D159-R161 IonicContact OD2-NH2 2.76Å; D159-R161 PolarHBondContact OD2-NH2 3.49Å; R161-K163 PolarHBondContact O-N 2.84Å; R161-G164 PolarHBondContact O-N 2.63Å; R161-G164 VanDerWaalsContact O-N 3.1Å; R161-V166 HydrophobicContact CG-CB 4.08Å; R161-V166 HydrophobicContact CG-CG1 4.15Å; R161-V166 HydrophobicContact CG-CG2 4.09Å; R161-V322 HydrophobicContact CG-CG2 4.38Å; R161-F349 VanDerWaalsContact CD-CZ 3.45Å; R161-F349 HydrophobicContact CG-CE1 4.23Å; R161-F349 HydrophobicContact CG-CZ 4.2Å
162	T	97.9	Very high	96.8	Very high	114 Å²	114	58 Å²	58	70%	0.699	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-18.7	177.8	69.6	0	0	0	0	113.6	D159	D159-T162 HydrophobicContact CB-CG2 4.07Å; D159-T162 PolarHBondContact O-N 3.18Å; D159-T162 PolarHBondContact O-OG1 2.98Å
163	K	97.2	Very high	97.2	Very high	99 Å²	99	56.2 Å²	56.2	43%	0.43	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	-1.5	178.1	-62.5	178.6	179.2	178.1	0	113.5	W160 R161 F192	W160-K163 HydrophobicContact CD2-CD 4.02Å; W160-K163 HydrophobicContact CE3-CB 3.83Å; W160-K163 HydrophobicContact CE3-CD 3.42Å; W160-K163 VanDerWaalsContact CE3-CD 3.42Å; W160-K163 HydrophobicContact CE3-CG 4.25Å; W160-K163 HydrophobicContact CH2-CD 4.02Å; W160-K163 HydrophobicContact CZ3-CB 4.23Å; W160-K163 HydrophobicContact CZ3-CD 3.43Å; W160-K163 VanDerWaalsContact CZ3-CD 3.43Å; W160-K163 HydrophobicContact CZ3-CG 4.49Å; W160-K163 PolarHBondContact O-N 3.37Å; R161-K163 PolarHBondContact O-N 2.84Å; K163-F192 WeakPolarHBondContact O-CE1 3.05Å; K163-F192 WeakPolarHBondContact O-CZ 3.16Å
164	G	97.3	Very high	97.3	Very high	30 Å²	30	56 Å²	56	31%	0.309	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.4	8.4	-179.3	0	0	0	0	0	115.6	W160 R161 V166 F192 L198	W160-G164 PolarHBondContact O-N 3.35Å; R161-G164 PolarHBondContact O-N 2.63Å; R161-G164 VanDerWaalsContact O-N 3.1Å; G164-V166 VanDerWaalsContact C-N 3.33Å; G164-V166 PolarHBondContact O-N 3.46Å; G164-F192 WeakPolarHBondContact O-CD2 3.48Å; G164-F192 WeakPolarHBondContact O-CE2 3.45Å; G164-L198 WeakPolarHBondContact O-CD2 3.31Å
165	A	98.3	Very high	97.4	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	30%	0.297	C	S	.	.			trans	-93.9	22.1	-176	0	0	0	0	0	113.8	W160 G189 F192	W160-A165 HydrophobicContact CB-CB 4.24Å; W160-A165 HydrophobicContact CD2-CB 4.35Å; W160-A165 HydrophobicContact CE3-CB 3.67Å; W160-A165 HydrophobicContact CZ3-CB 4.47Å; W160-A165 PolarHBondContact O-N 3.23Å; A165-G189 WeakPolarHBondContact O-CA 3.18Å; A165-F192 VanDerWaalsContact CA-CD1 3.47Å; A165-F192 HydrophobicContact CB-CB 4.47Å; A165-F192 HydrophobicContact CB-CD1 3.37Å; A165-F192 HydrophobicContact CB-CE1 3.89Å; A165-F192 HydrophobicContact CB-CG 4.15Å
166	V	98.8	Very high	97.5	Very high	19 Å²	19	50.5 Å²	50.5	12%	0.115	28%	0.279	C	S	.	.			trans	-142.3	118.8	-175.3	-175.4	0	0	0	0	109	W160 R161 G164 P285 V322 K337	W160-V166 HydrophobicContact CB-CG2 3.71Å; R161-V166 HydrophobicContact CG-CB 4.08Å; R161-V166 HydrophobicContact CG-CG1 4.15Å; R161-V166 HydrophobicContact CG-CG2 4.09Å; G164-V166 VanDerWaalsContact C-N 3.33Å; G164-V166 PolarHBondContact O-N 3.46Å; V166-P285 HydrophobicContact CG2-CG 4.26Å; V166-V322 HydrophobicContact CG1-CG1 3.98Å; V166-V322 HydrophobicContact CG2-CB 3.88Å; V166-V322 HydrophobicContact CG2-CG1 3.74Å; V166-K337 HydrophobicContact CG1-CD 3.91Å
167	T	98.7	Very high	97.6	Very high	14 Å²	14	41.4 Å²	41.4	9%	0.086	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-68.9	167.4	172.6	57.7	0	0	0	0	111.9	E188 L198 K337	T167-E188 WeakPolarHBondContact CB-OE2 3.41Å; T167-E188 HydrophobicContact CG2-CB 4.26Å; T167-E188 HydrophobicContact CG2-CG 4.13Å; T167-E188 WeakPolarHBondContact CG2-OE2 3.24Å; T167-E188 PolarHBondContact OG1-OE2 3.26Å; T167-L198 HydrophobicContact CG2-CD1 3.89Å; T167-L198 HydrophobicContact CG2-CD2 4.05Å; T167-L198 HydrophobicContact CG2-CG 3.88Å; T167-K337 PolarHBondContact O-NZ 2.77Å; T167-K337 PolarHBondContact OG1-NZ 2.8Å
168	A	98.4	Very high	97.6	Very high	82 Å²	82	37.8 Å²	37.8	68%	0.678	21%	0.214	S	C	*	.	P	Polyproline II helix	trans	-52.4	154	171.7	0	0	0	0	0	112.3	K170 K337	A168-K170 PolarHBondContact O-N 2.87Å; A168-K337 VanDerWaalsContact O-CE 3.32Å; A168-K337 WeakPolarHBondContact O-CE 3.3Å; A168-K337 PolarHBondContact O-NZ 3.48Å
169	V	98.7	Very high	97.6	Very high	23 Å²	23	37.5 Å²	37.5	14%	0.139	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-64.7	129	170.6	169.6	0	0	0	0	108.9	K337 T342 F349	V169-K337 HydrophobicContact CG2-CG 4.18Å; V169-T342 HydrophobicContact CB-CG2 3.93Å; V169-T342 HydrophobicContact CG1-CG2 4.29Å; V169-F349 HydrophobicContact CG2-CD2 4.11Å; V169-F349 HydrophobicContact CG2-CE2 3.54Å; V169-F349 HydrophobicContact CG2-CZ 3.94Å
170	K	98.4	Very high	97.6	Very high	34 Å²	34	35.9 Å²	35.9	15%	0.148	20%	0.204	C	C	.	.			trans	-99.4	176.1	174	-59.7	-171.6	-179	-175.9	0	110.4	A168 F181 S200 L201 E203 E239 S339 G341	A168-K170 PolarHBondContact O-N 2.87Å; K170-F181 HydrophobicContact CB-CD1 3.84Å; K170-F181 HydrophobicContact CB-CE1 3.48Å; K170-F181 VanDerWaalsContact CB-CE1 3.48Å; K170-F181 HydrophobicContact CD-CD1 3.97Å; K170-F181 HydrophobicContact CD-CE1 3.63Å; K170-F181 HydrophobicContact CG-CD1 4.48Å; K170-F181 HydrophobicContact CG-CE1 4.21Å; K170-S200 WeakPolarHBondContact CE-OG 3.43Å; K170-S200 PolarHBondContact NZ-OG 2.97Å; K170-L201 PolarHBondContact NZ-O 2.61Å; K170-E203 WeakPolarHBondContact CD-OE1 3.3Å; K170-E203 VanDerWaalsContact CD-OE2 3.31Å; K170-E203 WeakPolarHBondContact CD-OE2 3.44Å; K170-E203 WeakPolarHBondContact CE-OE1 3.42Å; K170-E203 IonicContact NZ-OE1 2.78Å; K170-E203 PolarHBondContact NZ-OE1 3.31Å; K170-E203 IonicContact NZ-OE2 3.92Å; K170-E203 PolarHBondContact NZ-OE2 3.12Å; K170-E239 IonicContact NZ-OE2 3.02Å; K170-E239 PolarHBondContact NZ-OE2 2.74Å; K170-S339 CarbonylContact O-C 3.57Å; K170-S339 VanDerWaalsContact O-C 3.26Å; K170-G341 PolarHBondContact O-N 2.95Å
171	D	97.6	Very high	97.6	Very high	66 Å²	66	35.9 Å²	35.9	35%	0.353	20%	0.204	S	C	.	.	B	Isolated β-bridge	trans	-133.8	113.4	-177.9	-162.5	-15.8	0	0	0	109.9	K110 G173 S339	K110-D171 IonicContact NZ-OD1 2.67Å; K110-D171 PolarHBondContact NZ-OD1 2.71Å; K110-D171 IonicContact NZ-OD2 3.27Å; K110-D171 PolarHBondContact NZ-OD2 3.38Å; D171-G173 PolarHBondContact O-N 2.65Å; D171-G173 PolarHBondContact OD1-N 3.23Å; D171-S339 CarbonylContact C-O 3.57Å; D171-S339 WeakPolarHBondContact CA-O 3.44Å
172	Q	97.4	Very high	97.6	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	19%	0.187	C	C	.	.			trans	-72.8	-11.7	-177.3	75	-173.9	77.6	0	0	113.2	M123 C175 F181 Y244 S339	M123-Q172 HydrophobicContact CE-CG 3.58Å; M123-Q172 PolarHBondContact O-NE2 3.23Å; Q172-C175 PolarHBondContact NE2-O 3.47Å; Q172-F181 HydrophobicContact CB-CD2 3.7Å; Q172-F181 HydrophobicContact CB-CE2 3.3Å; Q172-F181 HydrophobicContact CB-CZ 4.02Å; Q172-Y244 WeakPolarHBondContact O-CE1 3.39Å; Q172-Y244 PolarHBondContact O-OH 3.19Å; Q172-S339 PolarHBondContact N-O 3.25Å; Q172-S339 PolarHBondContact OE1-OG 3.09Å
173	G	93.9	Very high	97.7	Very high	22 Å²	22	25.9 Å²	25.9	23%	0.227	15%	0.154	C	C	.	.			trans	62.8	-144	-177.3	0	0	0	0	0	112.5	M123 D171 C175	M123-G173 WeakPolarHBondContact CE-O 3.49Å; M123-G173 VanDerWaalsContact SD-O 3.39Å; D171-G173 PolarHBondContact O-N 2.65Å; D171-G173 PolarHBondContact OD1-N 3.23Å; G173-C175 VanDerWaalsContact C-N 3.31Å; G173-C175 PolarHBondContact O-N 2.81Å
174	H	92.7	Very high	97.7	Very high	129 Å²	129	21.2 Å²	21.2	60%	0.597	13%	0.134	S	C	*	.	S	Bend	trans	-94.5	51.8	-179	-66.2	173.2	0	0	0	111.7	L122	L122-H174 HydrophobicContact CD2-CB 4.24Å
175	C	96.3	Very high	97.8	Very high	2 Å²	2	20 Å²	20	1%	0.014	12%	0.121	C	C	.	.	S	Bend	trans	-141.5	132.5	-175.8	170.4	0	0	0	0	109.2	L122 Q172 G173 S177 C218 Y244 A246	L122-C175 CarbonylContact O-C 3.52Å; Q172-C175 PolarHBondContact NE2-O 3.47Å; G173-C175 VanDerWaalsContact C-N 3.31Å; G173-C175 PolarHBondContact O-N 2.81Å; C175-S177 PolarHBondContact O-N 2.97Å; C175-S177 PolarHBondContact O-OG 3.3Å; C175-S177 VanDerWaalsContact SG-CB 3.55Å; C175-S177 PolarHBondContact SG-OG 2.94Å; C175-C218 HydrophobicContact CB-CB 3.88Å; C175-C218 WeakPolarHBondContact CB-SG 3.46Å; C175-C218 WeakPolarHBondContact SG-CA 3.13Å; C175-C218 WeakPolarHBondContact SG-CB 3.28Å; C175-C218 CovalentContact SG-SG 2.04Å; C175-C218 PolarHBondContact SG-SG 2.85Å; C175-Y244 WeakPolarHBondContact CB-OH 3.23Å; C175-Y244 PolarHBondContact SG-OH 2.95Å; C175-Y244 VanDerWaalsContact SG-OH 3.38Å; C175-A246 HydrophobicContact CB-CB 4.16Å
176	G	96.8	Very high	97.8	Very high	5 Å²	5	20 Å²	20	5%	0.052	12%	0.121	C	C	.	.			trans	-75.4	45.1	179.3	0	0	0	0	0	113.7	G125 W179 C218 G220	G125-G176 WeakPolarHBondContact CA-O 3.39Å; G176-W179 VanDerWaalsContact O-CD1 3.22Å; G176-W179 PolarHBondContact O-NE1 3.05Å; G176-W179 VanDerWaalsContact O-NE1 3.15Å; G176-C218 WeakPolarHBondContact CA-O 3.17Å; G176-C218 PolarHBondContact N-O 2.56Å; G176-G220 WeakPolarHBondContact O-CA 3.49Å
177	S	98.1	Very high	97.8	Very high	0 Å²	0	19 Å²	19	0%	0	12%	0.115	C	C	.	.			trans	-96.9	12.7	-174.4	55.2	0	0	0	0	113.8	C175 W179 A180 F181 Y244	C175-S177 PolarHBondContact O-N 2.97Å; C175-S177 PolarHBondContact O-OG 3.3Å; C175-S177 VanDerWaalsContact SG-CB 3.55Å; C175-S177 PolarHBondContact SG-OG 2.94Å; S177-W179 PolarHBondContact O-N 2.65Å; S177-A180 WeakPolarHBondContact O-CA 3.41Å; S177-A180 VanDerWaalsContact O-CB 3.27Å; S177-A180 WeakPolarHBondContact O-CB 3.43Å; S177-A180 PolarHBondContact O-N 2.93Å; S177-F181 WeakPolarHBondContact O-CD2 3.15Å; S177-F181 PolarHBondContact O-N 2.58Å; S177-F181 WeakPolarHBondContact OG-CE2 3.44Å; S177-Y244 PolarHBondContact OG-OH 3.33Å
178	C	98.5	Very high	97.9	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-50.9	-32.7	-179.7	63.5	0	0	0	0	114.1	G125 F126 A180 F181 S182 H317 G318	G125-C178 VanDerWaalsContact C-SG 3.54Å; G125-C178 VanDerWaalsContact CA-SG 3.53Å; G125-C178 PolarHBondContact N-SG 3.29Å; F126-C178 PolarHBondContact N-SG 3.33Å; C178-A180 VanDerWaalsContact C-N 3.34Å; C178-A180 PolarHBondContact O-N 3.49Å; C178-F181 PolarHBondContact O-N 3.03Å; C178-S182 WeakPolarHBondContact O-CB 3.25Å; C178-S182 PolarHBondContact O-N 3.16Å; C178-H317 WeakPolarHBondContact CB-CE1 3.31Å; C178-H317 WeakPolarHBondContact CB-ND1 3.17Å; C178-H317 PolarHBondContact SG-ND1 3.15Å; C178-G318 PolarHBondContact SG-N 2.82Å
179	W	98.5	Very high	97.9	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-61.7	-39	173.6	59.9	-88.7	0	0	0	112.1	G176 S177 S183 L206 V207 S210 N215 G217 G221 M223 A226	G176-W179 VanDerWaalsContact O-CD1 3.22Å; G176-W179 PolarHBondContact O-NE1 3.05Å; G176-W179 VanDerWaalsContact O-NE1 3.15Å; S177-W179 PolarHBondContact O-N 2.65Å; W179-S183 WeakPolarHBondContact O-CB 3.48Å; W179-S183 PolarHBondContact O-N 2.78Å; W179-S183 PolarHBondContact O-OG 2.87Å; W179-L206 HydrophobicContact CH2-CB 4.08Å; W179-L206 HydrophobicContact CZ3-CB 3.9Å; W179-V207 HydrophobicContact CZ2-CG2 4.42Å; W179-S210 WeakPolarHBondContact CH2-OG 3.35Å; W179-N215 HydrophobicContact CE3-CB 4.47Å; W179-N215 HydrophobicContact CH2-CB 3.62Å; W179-N215 HydrophobicContact CZ2-CB 3.93Å; W179-N215 HydrophobicContact CZ3-CB 3.92Å; W179-N215 WeakPolarHBondContact CZ3-ND2 3.08Å; W179-G217 PolarHBondContact NE1-O 3.09Å; W179-G217 VanDerWaalsContact NE1-O 3.17Å; W179-G221 WeakPolarHBondContact CB-O 3.41Å; W179-G221 VanDerWaalsContact CG-C 3.44Å; W179-M223 HydrophobicContact CB-SD 4.15Å; W179-A226 HydrophobicContact CE3-CB 4.2Å; W179-A226 HydrophobicContact CZ3-CB 4.06Å
180	A	98.8	Very high	97.9	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-66.4	-47.3	175.1	0	0	0	0	0	110.9	S177 C178 S182 S183 T184 E203 L206 V207	S177-A180 WeakPolarHBondContact O-CA 3.41Å; S177-A180 VanDerWaalsContact O-CB 3.27Å; S177-A180 WeakPolarHBondContact O-CB 3.43Å; S177-A180 PolarHBondContact O-N 2.93Å; C178-A180 VanDerWaalsContact C-N 3.34Å; C178-A180 PolarHBondContact O-N 3.49Å; A180-S182 VanDerWaalsContact C-N 3.32Å; A180-S182 PolarHBondContact O-N 2.92Å; A180-S183 PolarHBondContact O-N 3.06Å; A180-S183 VanDerWaalsContact O-N 3.17Å; A180-T184 PolarHBondContact O-N 3.32Å; A180-T184 PolarHBondContact O-OG1 2.82Å; A180-T184 VanDerWaalsContact O-OG1 3.09Å; A180-E203 HydrophobicContact CB-CB 3.92Å; A180-E203 HydrophobicContact CB-CG 4.09Å; A180-L206 HydrophobicContact CB-CB 3.9Å; A180-L206 HydrophobicContact CB-CD1 3.91Å; A180-V207 HydrophobicContact CB-CG2 4.42Å
181	F	98.9	Very high	97.9	Very high	18 Å²	18	13.9 Å²	13.9	8%	0.079	8%	0.075	C	C	.	.	H	α-helix	trans	-62	-36	176.5	-74.6	-80.7	0	0	0	113.5	K170 Q172 S177 C178 T184 G185 E203 Y244	K170-F181 HydrophobicContact CB-CD1 3.84Å; K170-F181 HydrophobicContact CB-CE1 3.48Å; K170-F181 VanDerWaalsContact CB-CE1 3.48Å; K170-F181 HydrophobicContact CD-CD1 3.97Å; K170-F181 HydrophobicContact CD-CE1 3.63Å; K170-F181 HydrophobicContact CG-CD1 4.48Å; K170-F181 HydrophobicContact CG-CE1 4.21Å; Q172-F181 HydrophobicContact CB-CD2 3.7Å; Q172-F181 HydrophobicContact CB-CE2 3.3Å; Q172-F181 HydrophobicContact CB-CZ 4.02Å; S177-F181 WeakPolarHBondContact O-CD2 3.15Å; S177-F181 PolarHBondContact O-N 2.58Å; S177-F181 WeakPolarHBondContact OG-CE2 3.44Å; C178-F181 PolarHBondContact O-N 3.03Å; F181-T184 WeakPolarHBondContact CA-OG1 3.49Å; F181-T184 PolarHBondContact O-OG1 3.4Å; F181-G185 PolarHBondContact O-N 3.2Å; F181-E203 HydrophobicContact CB-CG 4.25Å; F181-E203 HydrophobicContact CD1-CG 3.5Å; F181-E203 VanDerWaalsContact CD1-CG 3.5Å; F181-E203 WeakPolarHBondContact CD1-OE1 3.33Å; F181-E203 HydrophobicContact CD2-CB 4.45Å; F181-E203 HydrophobicContact CD2-CG 3.93Å; F181-E203 HydrophobicContact CE1-CB 4.26Å; F181-E203 HydrophobicContact CE1-CG 3.61Å; F181-E203 VanDerWaalsContact CE1-OE2 3.25Å; F181-E203 WeakPolarHBondContact CE1-OE2 3.16Å; F181-E203 HydrophobicContact CE2-CB 4.16Å; F181-E203 HydrophobicContact CE2-CG 4.01Å; F181-E203 HydrophobicContact CG-CG 3.65Å; F181-E203 HydrophobicContact CZ-CB 4.06Å; F181-E203 HydrophobicContact CZ-CG 3.87Å; F181-Y244 HydrophobicContact CE2-CD2 4.31Å; F181-Y244 HydrophobicContact CE2-CE1 4.03Å; F181-Y244 AromaticContact CE2-CE2 3.78Å; F181-Y244 HydrophobicContact CE2-CE2 3.78Å; F181-Y244 AromaticContact CE2-CZ 3.62Å; F181-Y244 AromaticContact CZ-CD1 3.8Å; F181-Y244 HydrophobicContact CZ-CD1 3.8Å; F181-Y244 AromaticContact CZ-CD2 3.92Å; F181-Y244 HydrophobicContact CZ-CD2 3.92Å; F181-Y244 AromaticContact CZ-CE1 3.69Å; F181-Y244 HydrophobicContact CZ-CE1 3.69Å; F181-Y244 AromaticContact CZ-CE2 3.83Å; F181-Y244 HydrophobicContact CZ-CE2 3.83Å; F181-Y244 AromaticContact CZ-CG 3.9Å; F181-Y244 HydrophobicContact CZ-CG 3.9Å; F181-Y244 AromaticContact CZ-CZ 3.71Å
182	S	98.9	Very high	97.9	Very high	1 Å²	1	12.7 Å²	12.7	1%	0.007	7%	0.067	C	C	.	.	H	α-helix	trans	-67	-43.2	174	-177.5	0	0	0	0	111	C178 A180 A186 S287 V319	C178-S182 WeakPolarHBondContact O-CB 3.25Å; C178-S182 PolarHBondContact O-N 3.16Å; A180-S182 VanDerWaalsContact C-N 3.32Å; A180-S182 PolarHBondContact O-N 2.92Å; S182-A186 PolarHBondContact O-N 3.15Å; S182-A186 VanDerWaalsContact O-N 3.12Å; S182-S287 PolarHBondContact O-OG 3.03Å; S182-S287 WeakPolarHBondContact OG-CA 3.14Å; S182-S287 WeakPolarHBondContact OG-CB 3.38Å; S182-S287 PolarHBondContact OG-OG 3.27Å; S182-V319 PolarHBondContact OG-O 2.71Å
183	S	98.9	Very high	97.9	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-67.8	-48.4	178	-78.1	0	0	0	0	114	W179 A180 G185 A186 L187 M223 A226 F227	W179-S183 WeakPolarHBondContact O-CB 3.48Å; W179-S183 PolarHBondContact O-N 2.78Å; W179-S183 PolarHBondContact O-OG 2.87Å; A180-S183 PolarHBondContact O-N 3.06Å; A180-S183 VanDerWaalsContact O-N 3.17Å; S183-G185 VanDerWaalsContact C-N 3.34Å; S183-A186 PolarHBondContact O-N 2.76Å; S183-L187 WeakPolarHBondContact O-CB 3.48Å; S183-L187 PolarHBondContact O-N 2.75Å; S183-M223 WeakPolarHBondContact OG-CA 3.39Å; S183-M223 VanDerWaalsContact OG-CB 3.27Å; S183-M223 WeakPolarHBondContact OG-CB 3.29Å; S183-M223 PolarHBondContact OG-O 2.93Å; S183-A226 WeakPolarHBondContact OG-CB 3.41Å; S183-F227 WeakPolarHBondContact O-CE1 3.36Å
184	T	98.9	Very high	98.1	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.006	10%	0.101	C	C	.	.	H	α-helix	trans	-57.9	-50.5	174.6	51	0	0	0	0	109.3	A180 F181 A186 L187 E188 L201 E203 L206 I236	A180-T184 PolarHBondContact O-N 3.32Å; A180-T184 PolarHBondContact O-OG1 2.82Å; A180-T184 VanDerWaalsContact O-OG1 3.09Å; F181-T184 WeakPolarHBondContact CA-OG1 3.49Å; F181-T184 PolarHBondContact O-OG1 3.4Å; T184-A186 VanDerWaalsContact C-N 3.29Å; T184-A186 PolarHBondContact O-N 2.97Å; T184-L187 CarbonylContact O-C 3.44Å; T184-L187 PolarHBondContact O-N 3.21Å; T184-E188 WeakPolarHBondContact O-CB 3.49Å; T184-E188 WeakPolarHBondContact O-CG 3.11Å; T184-E188 PolarHBondContact O-N 2.98Å; T184-L201 HydrophobicContact CG2-CB 4.07Å; T184-E203 VanDerWaalsContact CB-OE1 3.31Å; T184-E203 WeakPolarHBondContact CB-OE1 3.1Å; T184-E203 HydrophobicContact CG2-CG 3.79Å; T184-E203 PolarHBondContact OG1-OE1 2.99Å; T184-L206 HydrophobicContact CG2-CD1 3.91Å; T184-I236 HydrophobicContact CG2-CD1 4.04Å
185	G	98.9	Very high	98.3	Very high	3 Å²	3	19.2 Å²	19.2	3%	0.031	9%	0.091	C	C	.	.	H	α-helix	trans	-56.6	-36.8	-179.2	0	0	0	0	0	114.7	F181 S183 G189	F181-G185 PolarHBondContact O-N 3.2Å; S183-G185 VanDerWaalsContact C-N 3.34Å; G185-G189 PolarHBondContact O-N 3.36Å
186	A	98.9	Very high	98.3	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-72.7	-43.4	173.9	0	0	0	0	0	111.8	S182 S183 T184 G189 Q190 F227 S287 L320 P369	S182-A186 PolarHBondContact O-N 3.15Å; S182-A186 VanDerWaalsContact O-N 3.12Å; S183-A186 PolarHBondContact O-N 2.76Å; T184-A186 VanDerWaalsContact C-N 3.29Å; T184-A186 PolarHBondContact O-N 2.97Å; A186-G189 PolarHBondContact O-N 3.37Å; A186-Q190 WeakPolarHBondContact O-CG 3.42Å; A186-Q190 PolarHBondContact O-N 3.36Å; A186-F227 HydrophobicContact CB-CZ 4.25Å; A186-S287 WeakPolarHBondContact CB-OG 3.29Å; A186-L320 HydrophobicContact CB-CD1 3.73Å; A186-P369 HydrophobicContact CB-CG 4.3Å
187	L	98.9	Very high	98.4	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-67.2	-36.8	178.6	-175.7	58.5	0	0	0	112.8	S183 T184 G189 Q190 H191 L201 I230 I236 A260 P369 V371	S183-L187 WeakPolarHBondContact O-CB 3.48Å; S183-L187 PolarHBondContact O-N 2.75Å; T184-L187 CarbonylContact O-C 3.44Å; T184-L187 PolarHBondContact O-N 3.21Å; L187-G189 VanDerWaalsContact C-N 3.32Å; L187-G189 PolarHBondContact O-N 2.8Å; L187-Q190 PolarHBondContact O-N 3.05Å; L187-H191 WeakPolarHBondContact O-CB 3.17Å; L187-H191 PolarHBondContact O-N 2.83Å; L187-L201 HydrophobicContact CB-CD1 3.91Å; L187-L201 HydrophobicContact CD2-CD1 3.78Å; L187-L201 HydrophobicContact CG-CD1 3.66Å; L187-I230 HydrophobicContact CD2-CD1 3.69Å; L187-I230 HydrophobicContact CD2-CG2 3.93Å; L187-I236 HydrophobicContact CD2-CG2 3.78Å; L187-A260 HydrophobicContact CD1-CB 4.45Å; L187-A260 HydrophobicContact CD2-CB 4.02Å; L187-A260 HydrophobicContact CG-CB 4.01Å; L187-P369 HydrophobicContact CB-CG 3.84Å; L187-P369 HydrophobicContact CD1-CB 4.02Å; L187-P369 HydrophobicContact CD1-CG 3.92Å; L187-P369 HydrophobicContact CG-CG 4.47Å; L187-V371 HydrophobicContact CD1-CG1 3.56Å
188	E	98.9	Very high	98.4	Very high	2 Å²	2	28.7 Å²	28.7	1%	0.009	16%	0.156	C	C	.	.	H	α-helix	trans	-56	-47.2	170.8	-71.6	176.1	158.5	0	0	110.4	T167 T184 F192 V199 S200 L201	T167-E188 WeakPolarHBondContact CB-OE2 3.41Å; T167-E188 HydrophobicContact CG2-CB 4.26Å; T167-E188 HydrophobicContact CG2-CG 4.13Å; T167-E188 WeakPolarHBondContact CG2-OE2 3.24Å; T167-E188 PolarHBondContact OG1-OE2 3.26Å; T184-E188 WeakPolarHBondContact O-CB 3.49Å; T184-E188 WeakPolarHBondContact O-CG 3.11Å; T184-E188 PolarHBondContact O-N 2.98Å; E188-F192 WeakPolarHBondContact O-CB 3.38Å; E188-F192 PolarHBondContact O-N 3.21Å; E188-V199 WeakPolarHBondContact CG-O 3.46Å; E188-S200 WeakPolarHBondContact OE1-CA 3.31Å; E188-S200 WeakPolarHBondContact OE1-CB 3.41Å; E188-S200 PolarHBondContact OE1-OG 2.91Å; E188-L201 HydrophobicContact CG-CB 4.19Å; E188-L201 HydrophobicContact CG-CD1 3.87Å; E188-L201 HydrophobicContact CG-CG 3.75Å; E188-L201 PolarHBondContact OE1-N 2.63Å
189	G	98.7	Very high	98.4	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-65.3	-44.1	177	0	0	0	0	0	113.5	A165 G185 A186 L187 R193	A165-G189 WeakPolarHBondContact O-CA 3.18Å; G185-G189 PolarHBondContact O-N 3.36Å; A186-G189 PolarHBondContact O-N 3.37Å; L187-G189 VanDerWaalsContact C-N 3.32Å; L187-G189 PolarHBondContact O-N 2.8Å; G189-R193 WeakPolarHBondContact O-CG 3.3Å; G189-R193 PolarHBondContact O-N 3.26Å; G189-R193 VanDerWaalsContact O-N 3.09Å
190	Q	98.6	Very high	98.4	Very high	8 Å²	8	32 Å²	32	4%	0.037	18%	0.178	C	C	.	.	H	α-helix	trans	-66.7	-44.8	176.6	-65.8	-51.5	-37.3	0	0	111.9	A186 L187 F192 R193 K194 V283 P369 V371	A186-Q190 WeakPolarHBondContact O-CG 3.42Å; A186-Q190 PolarHBondContact O-N 3.36Å; L187-Q190 PolarHBondContact O-N 3.05Å; Q190-F192 PolarHBondContact O-N 2.63Å; Q190-R193 PolarHBondContact O-N 3.11Å; Q190-R193 VanDerWaalsContact O-N 3.16Å; Q190-K194 PolarHBondContact O-N 2.98Å; Q190-K194 VanDerWaalsContact O-N 3.12Å; Q190-V283 PolarHBondContact NE2-O 2.87Å; Q190-V283 PolarHBondContact OE1-O 2.71Å; Q190-V283 VanDerWaalsContact OE1-O 3.06Å; Q190-P369 HydrophobicContact CB-CG 4.44Å; Q190-P369 HydrophobicContact CG-CG 3.98Å; Q190-V371 HydrophobicContact CB-CG1 3.85Å; Q190-V371 HydrophobicContact CB-CG2 4.07Å; Q190-V371 WeakPolarHBondContact O-CG2 3.15Å
191	H	98.5	Very high	98.4	Very high	35 Å²	35	32 Å²	32	16%	0.162	18%	0.178	C	C	.	.	H	α-helix	trans	-56.5	-49.8	175.5	179.6	95.4	0	0	0	110.6	L187 R193 K194 S195 V197 G259 A260	L187-H191 WeakPolarHBondContact O-CB 3.17Å; L187-H191 PolarHBondContact O-N 2.83Å; H191-R193 VanDerWaalsContact C-N 3.32Å; H191-R193 PolarHBondContact O-N 3.05Å; H191-K194 PolarHBondContact O-N 3.28Å; H191-S195 PolarHBondContact CD2-OG 3.27Å; H191-S195 PolarHBondContact NE2-OG 3.06Å; H191-S195 PolarHBondContact O-N 3.5Å; H191-S195 PolarHBondContact O-OG 3.49Å; H191-V197 PolarHBondContact CD2-O 3.02Å; H191-V197 VanDerWaalsContact CD2-O 3.26Å; H191-G259 PolarHBondContact CE1-O 3.38Å; H191-G259 VanDerWaalsContact CE1-O 3.29Å; H191-A260 HydrophobicContact CB-CB 4.19Å
192	F	98.6	Very high	98.4	Very high	41 Å²	41	31.2 Å²	31.2	18%	0.18	17%	0.174	C	C	.	.	H	α-helix	trans	-56.1	-43.9	175.9	173	-93.6	0	0	0	112.4	K163 G164 A165 E188 Q190 K194 S195 G196 V197 L198	K163-F192 WeakPolarHBondContact O-CE1 3.05Å; K163-F192 WeakPolarHBondContact O-CZ 3.16Å; G164-F192 WeakPolarHBondContact O-CD2 3.48Å; G164-F192 WeakPolarHBondContact O-CE2 3.45Å; A165-F192 VanDerWaalsContact CA-CD1 3.47Å; A165-F192 HydrophobicContact CB-CB 4.47Å; A165-F192 HydrophobicContact CB-CD1 3.37Å; A165-F192 HydrophobicContact CB-CE1 3.89Å; A165-F192 HydrophobicContact CB-CG 4.15Å; E188-F192 WeakPolarHBondContact O-CB 3.38Å; E188-F192 PolarHBondContact O-N 3.21Å; Q190-F192 PolarHBondContact O-N 2.63Å; F192-K194 PolarHBondContact O-N 2.98Å; F192-S195 PolarHBondContact O-N 3.26Å; F192-G196 VanDerWaalsContact O-CA 3.28Å; F192-G196 WeakPolarHBondContact O-CA 3.45Å; F192-G196 PolarHBondContact O-N 3.5Å; F192-V197 WeakPolarHBondContact CA-O 3.25Å; F192-L198 HydrophobicContact CB-CD1 4.07Å; F192-L198 HydrophobicContact CD2-CB 3.83Å; F192-L198 HydrophobicContact CD2-CD1 4.48Å; F192-L198 HydrophobicContact CE2-CB 4.49Å; F192-L198 HydrophobicContact CG-CD1 4.44Å
193	R	97.4	Very high	98.4	Very high	111 Å²	111	31.2 Å²	31.2	42%	0.419	17%	0.174	S	C	.	.	H	α-helix	trans	-63.8	-26.7	178.4	-72.7	-176.9	75.5	-113.1	0.3	113.6	W160 G189 Q190 H191 T282 V283	W160-R193 HydrophobicContact CZ3-CG 4.21Å; G189-R193 WeakPolarHBondContact O-CG 3.3Å; G189-R193 PolarHBondContact O-N 3.26Å; G189-R193 VanDerWaalsContact O-N 3.09Å; Q190-R193 PolarHBondContact O-N 3.11Å; Q190-R193 VanDerWaalsContact O-N 3.16Å; H191-R193 VanDerWaalsContact C-N 3.32Å; H191-R193 PolarHBondContact O-N 3.05Å; R193-T282 PolarHBondContact NH2-O 3.38Å; R193-V283 WeakPolarHBondContact CD-O 3.28Å; R193-V283 PolarHBondContact NE-O 3.1Å; R193-V283 PolarHBondContact NH1-O 3.31Å
194	K	97.3	Very high	98.4	Very high	120 Å²	120	31.3 Å²	31.3	52%	0.522	17%	0.174	S	C	.	.	H	α-helix	trans	-87.5	-42.6	177.1	174.4	-177.7	171.1	-173.2	0	113.2	Q190 H191 F192 V371	Q190-K194 PolarHBondContact O-N 2.98Å; Q190-K194 VanDerWaalsContact O-N 3.12Å; H191-K194 PolarHBondContact O-N 3.28Å; F192-K194 PolarHBondContact O-N 2.98Å; K194-V371 HydrophobicContact CB-CG2 3.65Å; K194-V371 HydrophobicContact CD-CB 3.67Å; K194-V371 HydrophobicContact CD-CG2 3.59Å; K194-V371 HydrophobicContact CG-CG2 4.24Å; K194-V371 PolarHBondContact NZ-OXT 3.24Å
195	S	97.2	Very high	98.4	Very high	56 Å²	56	31.2 Å²	31.2	39%	0.392	17%	0.174	S	C	.	.	H	α-helix	trans	-100.6	-20.4	-170.6	69.8	0	0	0	0	114.3	H191 F192 V197	H191-S195 PolarHBondContact CD2-OG 3.27Å; H191-S195 PolarHBondContact NE2-OG 3.06Å; H191-S195 PolarHBondContact O-N 3.5Å; H191-S195 PolarHBondContact O-OG 3.49Å; F192-S195 PolarHBondContact O-N 3.26Å; S195-V197 PolarHBondContact O-N 3.25Å; S195-V197 PolarHBondContact OG-N 3.07Å; S195-V197 PolarHBondContact OG-O 2.86Å
196	G	97.5	Very high	98.4	Very high	55 Å²	55	31.1 Å²	31.1	57%	0.567	17%	0.173	S	C	*	.	S	Bend	trans	73.3	1.9	-167	0	0	0	0	0	114.2	F192	F192-G196 VanDerWaalsContact O-CA 3.28Å; F192-G196 WeakPolarHBondContact O-CA 3.45Å; F192-G196 PolarHBondContact O-N 3.5Å
197	V	97.6	Very high	98.4	Very high	83 Å²	83	31.1 Å²	31.1	50%	0.503	17%	0.173	S	C	.	.			trans	-111.1	124.1	-177.2	-176.9	0	0	0	0	109.3	H191 F192 S195 V199	H191-V197 PolarHBondContact CD2-O 3.02Å; H191-V197 VanDerWaalsContact CD2-O 3.26Å; F192-V197 WeakPolarHBondContact CA-O 3.25Å; S195-V197 PolarHBondContact O-N 3.25Å; S195-V197 PolarHBondContact OG-N 3.07Å; S195-V197 PolarHBondContact OG-O 2.86Å; V197-V199 HydrophobicContact CG1-CG2 3.97Å; V197-V199 PolarHBondContact O-N 2.92Å
198	L	98.4	Very high	98.4	Very high	69 Å²	69	31.6 Å²	31.6	36%	0.361	18%	0.176	S	C	.	.			trans	-88.3	108.5	174.2	-173	69.3	0	0	0	108.4	G164 T167 F192	G164-L198 WeakPolarHBondContact O-CD2 3.31Å; T167-L198 HydrophobicContact CG2-CD1 3.89Å; T167-L198 HydrophobicContact CG2-CD2 4.05Å; T167-L198 HydrophobicContact CG2-CG 3.88Å; F192-L198 HydrophobicContact CB-CD1 4.07Å; F192-L198 HydrophobicContact CD2-CB 3.83Å; F192-L198 HydrophobicContact CD2-CD1 4.48Å; F192-L198 HydrophobicContact CE2-CB 4.49Å; F192-L198 HydrophobicContact CG-CD1 4.44Å
199	V	98.2	Very high	98.4	Very high	31 Å²	31	32 Å²	32	19%	0.188	18%	0.179	C	C	.	.			trans	-103.1	142.5	173.9	-176.3	0	0	0	0	107.3	E188 V197 L201 T238	E188-V199 WeakPolarHBondContact CG-O 3.46Å; V197-V199 HydrophobicContact CG1-CG2 3.97Å; V197-V199 PolarHBondContact O-N 2.92Å; V199-L201 HydrophobicContact CB-CD2 4.43Å; V199-L201 HydrophobicContact CG1-CD2 3.93Å; V199-T238 HydrophobicContact CG1-CG2 3.74Å
200	S	98.7	Very high	98.3	Very high	39 Å²	39	32 Å²	32	27%	0.273	18%	0.179	S	C	.	.			trans	-96.5	131.6	166.5	-161.5	0	0	0	0	110.9	K170 E188 T238 E239	K170-S200 WeakPolarHBondContact CE-OG 3.43Å; K170-S200 PolarHBondContact NZ-OG 2.97Å; E188-S200 WeakPolarHBondContact OE1-CA 3.31Å; E188-S200 WeakPolarHBondContact OE1-CB 3.41Å; E188-S200 PolarHBondContact OE1-OG 2.91Å; S200-T238 WeakPolarHBondContact O-CA 3.43Å; S200-E239 PolarHBondContact O-N 2.82Å
201	L	98.9	Very high	98.2	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.199	C	C	.	.	B	Isolated β-bridge	trans	-104.4	151.8	-170.3	-55.6	175.2	0	0	0	110.5	K170 T184 L187 E188 V199 I236 A260	K170-L201 PolarHBondContact NZ-O 2.61Å; T184-L201 HydrophobicContact CG2-CB 4.07Å; L187-L201 HydrophobicContact CB-CD1 3.91Å; L187-L201 HydrophobicContact CD2-CD1 3.78Å; L187-L201 HydrophobicContact CG-CD1 3.66Å; E188-L201 HydrophobicContact CG-CB 4.19Å; E188-L201 HydrophobicContact CG-CD1 3.87Å; E188-L201 HydrophobicContact CG-CG 3.75Å; E188-L201 PolarHBondContact OE1-N 2.63Å; V199-L201 HydrophobicContact CB-CD2 4.43Å; V199-L201 HydrophobicContact CG1-CD2 3.93Å; L201-I236 HydrophobicContact CB-CD1 4.37Å; L201-I236 HydrophobicContact CB-CG2 4.39Å; L201-I236 HydrophobicContact CD1-CG2 3.99Å; L201-I236 HydrophobicContact CD2-CG2 4.16Å; L201-I236 HydrophobicContact CG-CG2 4.4Å; L201-A260 HydrophobicContact CD1-CB 3.67Å; L201-A260 HydrophobicContact CD2-CB 3.74Å; L201-A260 HydrophobicContact CG-CB 4.36Å
202	S	98.8	Very high	98.1	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.232	C	C	.	.			trans	-78	118.7	-174.6	174.6	0	0	0	0	112.2	Q204 N205 I236 D237 Y242	S202-Q204 PolarHBondContact OG-N 3.42Å; S202-N205 WeakPolarHBondContact OG-CB 3.24Å; S202-N205 PolarHBondContact OG-N 3.42Å; S202-I236 WeakPolarHBondContact O-CD1 3.32Å; S202-D237 PolarHBondContact N-O 2.99Å; S202-Y242 WeakPolarHBondContact CB-O 3.41Å; S202-Y242 PolarHBondContact OG-O 2.97Å
203	E	98.8	Very high	97.9	Very high	2 Å²	2	43.7 Å²	43.7	1%	0.009	23%	0.234	C	C	.	.	H	α-helix	trans	-71.8	-31.5	166.4	-68.6	81.8	-158.9	0	0	112.2	K170 A180 F181 T184 N205 L206 V207 Y244	K170-E203 WeakPolarHBondContact CD-OE1 3.3Å; K170-E203 VanDerWaalsContact CD-OE2 3.31Å; K170-E203 WeakPolarHBondContact CD-OE2 3.44Å; K170-E203 WeakPolarHBondContact CE-OE1 3.42Å; K170-E203 IonicContact NZ-OE1 2.78Å; K170-E203 PolarHBondContact NZ-OE1 3.31Å; K170-E203 IonicContact NZ-OE2 3.92Å; K170-E203 PolarHBondContact NZ-OE2 3.12Å; A180-E203 HydrophobicContact CB-CB 3.92Å; A180-E203 HydrophobicContact CB-CG 4.09Å; F181-E203 HydrophobicContact CB-CG 4.25Å; F181-E203 HydrophobicContact CD1-CG 3.5Å; F181-E203 VanDerWaalsContact CD1-CG 3.5Å; F181-E203 WeakPolarHBondContact CD1-OE1 3.33Å; F181-E203 HydrophobicContact CD2-CB 4.45Å; F181-E203 HydrophobicContact CD2-CG 3.93Å; F181-E203 HydrophobicContact CE1-CB 4.26Å; F181-E203 HydrophobicContact CE1-CG 3.61Å; F181-E203 VanDerWaalsContact CE1-OE2 3.25Å; F181-E203 WeakPolarHBondContact CE1-OE2 3.16Å; F181-E203 HydrophobicContact CE2-CB 4.16Å; F181-E203 HydrophobicContact CE2-CG 4.01Å; F181-E203 HydrophobicContact CG-CG 3.65Å; F181-E203 HydrophobicContact CZ-CB 4.06Å; F181-E203 HydrophobicContact CZ-CG 3.87Å; T184-E203 VanDerWaalsContact CB-OE1 3.31Å; T184-E203 WeakPolarHBondContact CB-OE1 3.1Å; T184-E203 HydrophobicContact CG2-CG 3.79Å; T184-E203 PolarHBondContact OG1-OE1 2.99Å; E203-N205 VanDerWaalsContact C-N 3.29Å; E203-N205 PolarHBondContact O-N 3.49Å; E203-L206 WeakPolarHBondContact O-CA 3.49Å; E203-L206 WeakPolarHBondContact O-CB 3.31Å; E203-L206 PolarHBondContact O-N 2.88Å; E203-V207 WeakPolarHBondContact O-CG2 3.29Å; E203-V207 PolarHBondContact O-N 3.4Å; E203-Y244 HydrophobicContact CB-CD2 3.87Å; E203-Y244 HydrophobicContact CB-CE2 4.23Å
204	Q	98.8	Very high	97.8	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.005	23%	0.228	C	C	.	.	H	α-helix	trans	-62	-39	-179.8	-161.4	62	47.3	0	0	111.6	S202 L206 V207 D208 Y242 P243 Y244 E245 I247	S202-Q204 PolarHBondContact OG-N 3.42Å; Q204-L206 PolarHBondContact O-N 2.97Å; Q204-V207 PolarHBondContact O-N 2.99Å; Q204-V207 VanDerWaalsContact O-N 3.12Å; Q204-D208 PolarHBondContact NE2-OD1 3.11Å; Q204-D208 PolarHBondContact NE2-OD2 3.17Å; Q204-D208 PolarHBondContact O-N 2.51Å; Q204-Y242 HydrophobicContact CB-CD1 3.73Å; Q204-Y242 HydrophobicContact CB-CE1 3.74Å; Q204-Y242 HydrophobicContact CG-CD1 3.9Å; Q204-Y242 HydrophobicContact CG-CE1 3.48Å; Q204-Y242 VanDerWaalsContact CG-CE1 3.48Å; Q204-P243 VanDerWaalsContact CB-O 3.26Å; Q204-P243 WeakPolarHBondContact CB-O 3.48Å; Q204-Y244 HydrophobicContact CB-CD2 4.39Å; Q204-E245 HydrophobicContact CG-CG 4.47Å; Q204-I247 PolarHBondContact NE2-O 3.36Å
205	N	98.8	Very high	97.8	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-56.8	-34	172.5	-173.4	-164	0	0	0	112	S202 E203 C209 Y229 I236 D237 Y242 F253	S202-N205 WeakPolarHBondContact OG-CB 3.24Å; S202-N205 PolarHBondContact OG-N 3.42Å; E203-N205 VanDerWaalsContact C-N 3.29Å; E203-N205 PolarHBondContact O-N 3.49Å; N205-C209 PolarHBondContact ND2-SG 2.79Å; N205-C209 WeakPolarHBondContact O-CB 3.36Å; N205-C209 PolarHBondContact O-N 3.42Å; N205-C209 PolarHBondContact O-SG 2.1Å; N205-C209 VanDerWaalsContact O-SG 3.41Å; N205-Y229 PolarHBondContact ND2-OH 3.09Å; N205-I236 HydrophobicContact CB-CG1 4.26Å; N205-I236 WeakPolarHBondContact OD1-CA 3.11Å; N205-I236 WeakPolarHBondContact OD1-CG1 3.35Å; N205-D237 HydrophobicContact CB-CB 4.47Å; N205-D237 PolarHBondContact OD1-N 3.29Å; N205-Y242 HydrophobicContact CB-CD2 3.66Å; N205-Y242 HydrophobicContact CB-CE2 3.82Å; N205-Y242 HydrophobicContact CB-CG 4.18Å; N205-F253 WeakPolarHBondContact OD1-CD2 3.45Å
206	L	98.8	Very high	97.8	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-75.1	-46.9	173.8	-63	178.9	0	0	0	111.9	W179 A180 T184 E203 Q204 D208 S210 A226 Y229 I230 I236	W179-L206 HydrophobicContact CH2-CB 4.08Å; W179-L206 HydrophobicContact CZ3-CB 3.9Å; A180-L206 HydrophobicContact CB-CB 3.9Å; A180-L206 HydrophobicContact CB-CD1 3.91Å; T184-L206 HydrophobicContact CG2-CD1 3.91Å; E203-L206 WeakPolarHBondContact O-CA 3.49Å; E203-L206 WeakPolarHBondContact O-CB 3.31Å; E203-L206 PolarHBondContact O-N 2.88Å; Q204-L206 PolarHBondContact O-N 2.97Å; L206-D208 VanDerWaalsContact C-N 3.35Å; L206-D208 PolarHBondContact O-N 3.11Å; L206-S210 VanDerWaalsContact O-CB 3.3Å; L206-S210 WeakPolarHBondContact O-CB 3.36Å; L206-S210 PolarHBondContact O-N 3.07Å; L206-S210 PolarHBondContact O-OG 3.15Å; L206-A226 HydrophobicContact CD1-CB 3.98Å; L206-A226 HydrophobicContact CD2-CB 4.03Å; L206-Y229 HydrophobicContact CD2-CD1 3.56Å; L206-Y229 HydrophobicContact CD2-CE1 3.82Å; L206-I230 HydrophobicContact CD2-CD1 4Å; L206-I230 HydrophobicContact CD2-CG1 3.82Å; L206-I236 HydrophobicContact CD1-CD1 4.13Å; L206-I236 HydrophobicContact CD2-CD1 3.84Å; L206-I236 HydrophobicContact CG-CD1 3.79Å
207	V	98.7	Very high	97.7	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.006	18%	0.179	C	C	.	.	H	α-helix	trans	-52.2	-52.7	179.5	169.3	0	0	0	0	110.5	W179 A180 E203 Q204 Y244	W179-V207 HydrophobicContact CZ2-CG2 4.42Å; A180-V207 HydrophobicContact CB-CG2 4.42Å; E203-V207 WeakPolarHBondContact O-CG2 3.29Å; E203-V207 PolarHBondContact O-N 3.4Å; Q204-V207 PolarHBondContact O-N 2.99Å; Q204-V207 VanDerWaalsContact O-N 3.12Å; V207-Y244 HydrophobicContact CG2-CE2 4.49Å
208	D	98.7	Very high	97.7	Very high	10 Å²	10	30 Å²	30	5%	0.053	16%	0.163	C	C	.	.	H	α-helix	trans	-79.8	-38.5	-173.3	-56.8	-21.2	0	0	0	113.2	Q204 L206 Y242 D249 C251	Q204-D208 PolarHBondContact NE2-OD1 3.11Å; Q204-D208 PolarHBondContact NE2-OD2 3.17Å; Q204-D208 PolarHBondContact O-N 2.51Å; L206-D208 VanDerWaalsContact C-N 3.35Å; L206-D208 PolarHBondContact O-N 3.11Å; D208-Y242 WeakPolarHBondContact CB-OH 3.47Å; D208-Y242 WeakPolarHBondContact OD2-CE1 3.34Å; D208-Y242 PolarHBondContact OD2-OH 2.62Å; D208-D249 WeakPolarHBondContact CB-O 3.47Å; D208-D249 PolarHBondContact OD1-N 2.96Å; D208-C251 HydrophobicContact CB-CB 4.24Å
209	C	98.7	Very high	97.6	Very high	11 Å²	11	32.9 Å²	32.9	7%	0.074	18%	0.179	C	C	.	.	H	α-helix	trans	-98.2	-24.9	-167.4	-57.2	0	0	0	0	115.4	N205 T211 Y229 C251	N205-C209 PolarHBondContact ND2-SG 2.79Å; N205-C209 WeakPolarHBondContact O-CB 3.36Å; N205-C209 PolarHBondContact O-N 3.42Å; N205-C209 PolarHBondContact O-SG 2.1Å; N205-C209 VanDerWaalsContact O-SG 3.41Å; C209-T211 PolarHBondContact O-N 3.25Å; C209-Y229 HydrophobicContact CB-CE1 4.24Å; C209-Y229 HydrophobicContact CB-CE2 3.6Å; C209-Y229 VanDerWaalsContact CB-CZ 3.41Å; C209-Y229 WeakPolarHBondContact CB-OH 3.43Å; C209-C251 VanDerWaalsContact CA-SG 3.59Å; C209-C251 HydrophobicContact CB-CB 3.82Å; C209-C251 WeakPolarHBondContact CB-SG 3.29Å; C209-C251 VanDerWaalsContact SG-CA 3.54Å; C209-C251 WeakPolarHBondContact SG-CB 3.49Å; C209-C251 CovalentContact SG-SG 2.02Å; C209-C251 PolarHBondContact SG-SG 3.1Å
210	S	98.1	Very high	97.5	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-83.5	9.6	-174.3	72.8	0	0	0	0	114.3	W179 L206 K212 Y213 N215	W179-S210 WeakPolarHBondContact CH2-OG 3.35Å; L206-S210 VanDerWaalsContact O-CB 3.3Å; L206-S210 WeakPolarHBondContact O-CB 3.36Å; L206-S210 PolarHBondContact O-N 3.07Å; L206-S210 PolarHBondContact O-OG 3.15Å; S210-K212 VanDerWaalsContact C-N 3.31Å; S210-K212 PolarHBondContact O-N 3.49Å; S210-Y213 WeakPolarHBondContact O-CA 3.36Å; S210-Y213 WeakPolarHBondContact O-CB 3.3Å; S210-Y213 PolarHBondContact O-N 3.35Å; S210-N215 WeakPolarHBondContact OG-CB 3.47Å; S210-N215 PolarHBondContact OG-ND2 2.89Å
211	T	96.7	Very high	97.5	Very high	75 Å²	75	29.6 Å²	29.6	46%	0.46	16%	0.158	S	C	.	.	G	3₁₀ helix	trans	-57.6	-38.5	-177.5	51.8	0	0	0	0	114	C209 Y213 G214 N215	C209-T211 PolarHBondContact O-N 3.25Å; T211-Y213 PolarHBondContact O-N 2.87Å; T211-Y213 VanDerWaalsContact O-N 3.11Å; T211-G214 PolarHBondContact O-N 2.96Å; T211-N215 VanDerWaalsContact CA-O 3.29Å; T211-N215 WeakPolarHBondContact CA-O 3.43Å
212	K	95.6	Very high	97.4	Very high	196 Å²	196	29.8 Å²	29.8	85%	0.852	16%	0.158	S	C	*	.	G	3₁₀ helix	trans	-63.7	-14.4	175.1	-66.1	178.2	-177.3	170.2	0	114.3	S210	S210-K212 VanDerWaalsContact C-N 3.31Å; S210-K212 PolarHBondContact O-N 3.49Å
213	Y	95	Very high	97.4	Very high	57 Å²	57	29.9 Å²	29.9	22%	0.224	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-95.8	0.8	177.9	-67.4	-98.7	0	0	0	112.6	S210 T211 N225 R228 Y229 D232	S210-Y213 WeakPolarHBondContact O-CA 3.36Å; S210-Y213 WeakPolarHBondContact O-CB 3.3Å; S210-Y213 PolarHBondContact O-N 3.35Å; T211-Y213 PolarHBondContact O-N 2.87Å; T211-Y213 VanDerWaalsContact O-N 3.11Å; Y213-N225 PolarHBondContact O-ND2 2.54Å; Y213-R228 HydrophobicContact CD1-CB 3.69Å; Y213-R228 HydrophobicContact CE1-CB 3.96Å; Y213-Y229 HydrophobicContact CD2-CD2 4.12Å; Y213-Y229 HydrophobicContact CD2-CG 4.37Å; Y213-Y229 AromaticContact CE2-CD2 3.92Å; Y213-Y229 HydrophobicContact CE2-CD2 3.92Å; Y213-Y229 HydrophobicContact CE2-CG 4.45Å; Y213-D232 HydrophobicContact CE1-CB 4.49Å; Y213-D232 VanDerWaalsContact CE1-OD2 3.28Å; Y213-D232 WeakPolarHBondContact CE1-OD2 3.12Å; Y213-D232 WeakPolarHBondContact OH-CB 3.43Å; Y213-D232 PolarHBondContact OH-OD2 3.04Å
214	G	94.3	Very high	97.4	Very high	28 Å²	28	30.2 Å²	30.2	29%	0.289	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	97.3	6.8	177.5	0	0	0	0	0	115	L130 T211 N216	L130-G214 WeakPolarHBondContact CD2-O 3.34Å; T211-G214 PolarHBondContact O-N 2.96Å; G214-N216 PolarHBondContact O-ND2 3.33Å
215	N	97.2	Very high	97.3	Very high	2 Å²	2	30.2 Å²	30.2	1%	0.011	16%	0.161	C	C	.	.			trans	-81.6	146.2	168.3	-63.4	-26.7	0	0	0	109.8	W179 S210 T211 G221 L222 N225	W179-N215 HydrophobicContact CE3-CB 4.47Å; W179-N215 HydrophobicContact CH2-CB 3.62Å; W179-N215 HydrophobicContact CZ2-CB 3.93Å; W179-N215 HydrophobicContact CZ3-CB 3.92Å; W179-N215 WeakPolarHBondContact CZ3-ND2 3.08Å; S210-N215 WeakPolarHBondContact OG-CB 3.47Å; S210-N215 PolarHBondContact OG-ND2 2.89Å; T211-N215 VanDerWaalsContact CA-O 3.29Å; T211-N215 WeakPolarHBondContact CA-O 3.43Å; N215-G221 WeakPolarHBondContact OD1-CA 3.01Å; N215-L222 PolarHBondContact OD1-N 3.37Å; N215-L222 PolarHBondContact OD1-O 2.9Å; N215-N225 WeakPolarHBondContact OD1-CB 3.39Å
216	N	96.9	Very high	97.3	Very high	83 Å²	83	30.2 Å²	30.2	44%	0.444	16%	0.161	S	C	.	.			trans	-118.3	35	-176	-52.9	-79.7	0	0	0	111	G214 C218 N219 G220	G214-N216 PolarHBondContact O-ND2 3.33Å; N216-C218 PolarHBondContact O-N 2.93Å; N216-N219 HydrophobicContact CB-CB 4.02Å; N216-N219 WeakPolarHBondContact O-CA 3.36Å; N216-N219 WeakPolarHBondContact O-CB 3.14Å; N216-N219 PolarHBondContact O-N 3.15Å; N216-G220 WeakPolarHBondContact CA-O 3.49Å; N216-G220 PolarHBondContact N-O 2.04Å
217	G	96.9	Very high	97.3	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.01	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	57.2	-124.2	178.8	0	0	0	0	0	112.8	W179 N219 G220 D248	W179-G217 PolarHBondContact NE1-O 3.09Å; W179-G217 VanDerWaalsContact NE1-O 3.17Å; G217-N219 PolarHBondContact O-N 3.41Å; G217-G220 PolarHBondContact O-N 3.17Å; G217-G220 VanDerWaalsContact O-N 3.14Å; G217-D248 WeakPolarHBondContact CA-OD1 3.2Å
218	C	96.9	Very high	97.2	Very high	25 Å²	25	32.5 Å²	32.5	17%	0.169	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-66.6	-12.5	174.8	-69.2	0	0	0	0	114.3	C175 G176 N216 G220 D248	C175-C218 HydrophobicContact CB-CB 3.88Å; C175-C218 WeakPolarHBondContact CB-SG 3.46Å; C175-C218 WeakPolarHBondContact SG-CA 3.13Å; C175-C218 WeakPolarHBondContact SG-CB 3.28Å; C175-C218 CovalentContact SG-SG 2.04Å; C175-C218 PolarHBondContact SG-SG 2.85Å; G176-C218 WeakPolarHBondContact CA-O 3.17Å; G176-C218 PolarHBondContact N-O 2.56Å; N216-C218 PolarHBondContact O-N 2.93Å; C218-G220 VanDerWaalsContact C-N 3.28Å; C218-D248 PolarHBondContact N-OD1 3.2Å
219	N	95.7	Very high	97.2	Very high	128 Å²	128	32.5 Å²	32.5	68%	0.684	17%	0.169	S	C	*	.	G	3₁₀ helix	trans	-90.3	11	172.7	-57.5	-86.6	0	0	0	112.8	N216 G217 D248	N216-N219 HydrophobicContact CB-CB 4.02Å; N216-N219 WeakPolarHBondContact O-CA 3.36Å; N216-N219 WeakPolarHBondContact O-CB 3.14Å; N216-N219 PolarHBondContact O-N 3.15Å; G217-N219 PolarHBondContact O-N 3.41Å; N219-D248 PolarHBondContact ND2-OD2 3.07Å
220	G	96.9	Very high	97.2	Very high	2 Å²	2	32 Å²	32	2%	0.021	17%	0.165	C	C	.	.			trans	98.6	163.4	170.1	0	0	0	0	0	115.6	G125 G176 N216 G217 C218	G125-G220 CarbonylContact O-C 3.46Å; G125-G220 WeakPolarHBondContact O-CA 3.11Å; G176-G220 WeakPolarHBondContact O-CA 3.49Å; N216-G220 WeakPolarHBondContact CA-O 3.49Å; N216-G220 PolarHBondContact N-O 2.04Å; G217-G220 PolarHBondContact O-N 3.17Å; G217-G220 VanDerWaalsContact O-N 3.14Å; C218-G220 VanDerWaalsContact C-N 3.28Å
221	G	97.6	Very high	97.2	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.186	C	C	.	.	B	Isolated β-bridge	trans	-174	-168.6	-168.7	0	0	0	0	0	112.6	G125 N127 W179 N215	G125-G221 PolarHBondContact O-N 3.31Å; N127-G221 PolarHBondContact N-O 3.48Å; W179-G221 WeakPolarHBondContact CB-O 3.41Å; W179-G221 VanDerWaalsContact CG-C 3.44Å; N215-G221 WeakPolarHBondContact OD1-CA 3.01Å
222	L	98.1	Very high	97.3	Very high	3 Å²	3	37.9 Å²	37.9	2%	0.016	19%	0.189	C	C	.	.			trans	-133.3	141.6	-173	-57.4	-179	0	0	0	111.6	F126 N127 L130 H131 L134 N215 N225 A226	F126-L222 HydrophobicContact CD2-CD2 3.93Å; F126-L222 HydrophobicContact CE2-CD2 3.5Å; F126-L222 VanDerWaalsContact CE2-CD2 3.5Å; F126-L222 HydrophobicContact CZ-CD2 3.92Å; N127-L222 WeakPolarHBondContact O-CD2 3.12Å; L130-L222 HydrophobicContact CD2-CD1 4.41Å; L130-L222 HydrophobicContact CG-CD1 4.27Å; H131-L222 HydrophobicContact CB-CD1 3.97Å; H131-L222 HydrophobicContact CB-CD2 3.71Å; L134-L222 HydrophobicContact CD1-CD1 4.01Å; N215-L222 PolarHBondContact OD1-N 3.37Å; N215-L222 PolarHBondContact OD1-O 2.9Å; L222-N225 HydrophobicContact CB-CB 4.16Å; L222-N225 PolarHBondContact O-N 2.89Å; L222-A226 PolarHBondContact O-N 2.89Å; L222-A226 VanDerWaalsContact O-N 3.16Å
223	M	98.5	Very high	97.4	Very high	3 Å²	3	31.2 Å²	31.2	2%	0.015	16%	0.163	C	C	.	.	H	α-helix	trans	-64	-43.1	179	-62.5	81.8	75.2	0	0	112.3	F126 W179 S183 N225 A226 F227 A289	F126-M223 HydrophobicContact CD2-CE 4.03Å; F126-M223 HydrophobicContact CD2-SD 3.55Å; F126-M223 VanDerWaalsContact CD2-SD 3.55Å; F126-M223 HydrophobicContact CE2-CE 3.74Å; F126-M223 HydrophobicContact CE2-SD 3.69Å; W179-M223 HydrophobicContact CB-SD 4.15Å; S183-M223 WeakPolarHBondContact OG-CA 3.39Å; S183-M223 VanDerWaalsContact OG-CB 3.27Å; S183-M223 WeakPolarHBondContact OG-CB 3.29Å; S183-M223 PolarHBondContact OG-O 2.93Å; M223-N225 VanDerWaalsContact C-N 3.31Å; M223-N225 PolarHBondContact O-N 2.94Å; M223-A226 WeakPolarHBondContact O-CB 3.47Å; M223-A226 PolarHBondContact O-N 2.89Å; M223-A226 VanDerWaalsContact O-N 3.1Å; M223-F227 HydrophobicContact CB-CE2 4Å; M223-F227 HydrophobicContact CB-CZ 4.29Å; M223-F227 WeakPolarHBondContact O-CD2 3.21Å; M223-F227 WeakPolarHBondContact O-CG 3.08Å; M223-F227 PolarHBondContact O-N 2.8Å; M223-A289 HydrophobicContact CE-CB 4.27Å
224	D	97.8	Very high	97.5	Very high	9 Å²	9	30.7 Å²	30.7	5%	0.048	18%	0.175	C	C	.	.	H	α-helix	trans	-56.6	-42.8	176.7	-62.5	-0.5	0	0	0	112.1	H131 R135 F227 R228 F265 S367	H131-D224 IonicContact NE2-OD2 2.83Å; R135-D224 IonicContact NH1-OD2 2.81Å; R135-D224 PolarHBondContact NH1-OD2 3.22Å; D224-F227 PolarHBondContact O-N 3.2Å; D224-R228 WeakPolarHBondContact O-CG 3.49Å; D224-R228 PolarHBondContact O-N 2.82Å; D224-F265 HydrophobicContact CB-CD2 4.2Å; D224-F265 HydrophobicContact CB-CE1 4.38Å; D224-F265 HydrophobicContact CB-CE2 3.56Å; D224-F265 HydrophobicContact CB-CZ 3.69Å; D224-S367 WeakPolarHBondContact OD1-CB 3.48Å; D224-S367 PolarHBondContact OD1-OG 3.43Å
225	N	97.4	Very high	97.7	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.005	16%	0.161	C	C	.	.	H	α-helix	trans	-67.3	-36.4	177.4	-72.7	-9.7	0	0	0	112	F141 Y213 N215 L222 M223 Y229	F141-N225 WeakPolarHBondContact CD1-OD1 3.42Å; Y213-N225 PolarHBondContact O-ND2 2.54Å; N215-N225 WeakPolarHBondContact OD1-CB 3.39Å; L222-N225 HydrophobicContact CB-CB 4.16Å; L222-N225 PolarHBondContact O-N 2.89Å; M223-N225 VanDerWaalsContact C-N 3.31Å; M223-N225 PolarHBondContact O-N 2.94Å; N225-Y229 PolarHBondContact O-N 2.73Å
226	A	98.5	Very high	97.8	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-64.8	-44	173.3	0	0	0	0	0	111.3	W179 S183 L206 L222 M223 R228 Y229 I230	W179-A226 HydrophobicContact CE3-CB 4.2Å; W179-A226 HydrophobicContact CZ3-CB 4.06Å; S183-A226 WeakPolarHBondContact OG-CB 3.41Å; L206-A226 HydrophobicContact CD1-CB 3.98Å; L206-A226 HydrophobicContact CD2-CB 4.03Å; L222-A226 PolarHBondContact O-N 2.89Å; L222-A226 VanDerWaalsContact O-N 3.16Å; M223-A226 WeakPolarHBondContact O-CB 3.47Å; M223-A226 PolarHBondContact O-N 2.89Å; M223-A226 VanDerWaalsContact O-N 3.1Å; A226-R228 PolarHBondContact O-N 2.82Å; A226-Y229 WeakPolarHBondContact O-CB 3.31Å; A226-Y229 PolarHBondContact O-N 2.9Å; A226-I230 VanDerWaalsContact O-CG1 3.26Å; A226-I230 WeakPolarHBondContact O-CG1 3.45Å; A226-I230 PolarHBondContact O-N 3.05Å
227	F	98.5	Very high	97.9	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-60.2	-45.5	175.4	-57.4	-41.9	0	0	0	111.9	S183 A186 M223 D224 Y229 I230 K231 F265 P369	S183-F227 WeakPolarHBondContact O-CE1 3.36Å; A186-F227 HydrophobicContact CB-CZ 4.25Å; M223-F227 HydrophobicContact CB-CE2 4Å; M223-F227 HydrophobicContact CB-CZ 4.29Å; M223-F227 WeakPolarHBondContact O-CD2 3.21Å; M223-F227 WeakPolarHBondContact O-CG 3.08Å; M223-F227 PolarHBondContact O-N 2.8Å; D224-F227 PolarHBondContact O-N 3.2Å; F227-Y229 VanDerWaalsContact C-N 3.33Å; F227-Y229 PolarHBondContact O-N 2.87Å; F227-I230 PolarHBondContact O-N 3.43Å; F227-K231 WeakPolarHBondContact O-CB 3.37Å; F227-K231 PolarHBondContact O-N 2.98Å; F227-F265 HydrophobicContact CB-CB 3.96Å; F227-F265 HydrophobicContact CB-CD1 3.91Å; F227-F265 HydrophobicContact CB-CG 4.15Å; F227-F265 HydrophobicContact CD2-CB 3.54Å; F227-F265 HydrophobicContact CD2-CD1 4.46Å; F227-F265 HydrophobicContact CD2-CD2 4.42Å; F227-F265 AromaticContact CD2-CG 3.91Å; F227-F265 HydrophobicContact CD2-CG 3.91Å; F227-F265 HydrophobicContact CE2-CB 4.36Å; F227-F265 HydrophobicContact CG-CB 4.02Å; F227-F265 HydrophobicContact CG-CG 4.48Å; F227-P369 HydrophobicContact CD1-CB 3.73Å; F227-P369 HydrophobicContact CD1-CG 4.12Å; F227-P369 HydrophobicContact CE1-CB 3.85Å; F227-P369 HydrophobicContact CE1-CG 3.71Å; F227-P369 HydrophobicContact CG-CB 4.22Å; F227-P369 HydrophobicContact CZ-CB 4.44Å; F227-P369 HydrophobicContact CZ-CG 4.19Å
228	R	97.7	Very high	98	Very high	48 Å²	48	26.9 Å²	26.9	18%	0.181	15%	0.149	C	C	.	.	H	α-helix	trans	-53.6	-47.4	172.6	-70.4	176.3	64.7	155.7	11.1	112.4	S140 F141 Y213 D224 A226 D232 F265	S140-R228 VanDerWaalsContact C-NH1 3.35Å; S140-R228 PolarHBondContact O-NH1 2.8Å; S140-R228 PolarHBondContact OG-NH1 2.93Å; S140-R228 PolarHBondContact OG-NH2 3.43Å; F141-R228 VanDerWaalsContact CD2-NH1 3.35Å; Y213-R228 HydrophobicContact CD1-CB 3.69Å; Y213-R228 HydrophobicContact CE1-CB 3.96Å; D224-R228 WeakPolarHBondContact O-CG 3.49Å; D224-R228 PolarHBondContact O-N 2.82Å; A226-R228 PolarHBondContact O-N 2.82Å; R228-D232 PolarHBondContact O-N 3.34Å; R228-D232 VanDerWaalsContact O-N 3.1Å; R228-F265 HydrophobicContact CG-CD1 4.49Å; R228-F265 HydrophobicContact CG-CE1 3.76Å
229	Y	98.3	Very high	98.1	Very high	10 Å²	10	27.9 Å²	27.9	4%	0.039	15%	0.151	C	C	.	.	H	α-helix	trans	-58.8	-50.6	175.9	160.6	-100.9	0	0	0	111.9	N205 L206 C209 Y213 N225 A226 F227 K231 D232 N233	N205-Y229 PolarHBondContact ND2-OH 3.09Å; L206-Y229 HydrophobicContact CD2-CD1 3.56Å; L206-Y229 HydrophobicContact CD2-CE1 3.82Å; C209-Y229 HydrophobicContact CB-CE1 4.24Å; C209-Y229 HydrophobicContact CB-CE2 3.6Å; C209-Y229 VanDerWaalsContact CB-CZ 3.41Å; C209-Y229 WeakPolarHBondContact CB-OH 3.43Å; Y213-Y229 HydrophobicContact CD2-CD2 4.12Å; Y213-Y229 HydrophobicContact CD2-CG 4.37Å; Y213-Y229 AromaticContact CE2-CD2 3.92Å; Y213-Y229 HydrophobicContact CE2-CD2 3.92Å; Y213-Y229 HydrophobicContact CE2-CG 4.45Å; N225-Y229 PolarHBondContact O-N 2.73Å; A226-Y229 WeakPolarHBondContact O-CB 3.31Å; A226-Y229 PolarHBondContact O-N 2.9Å; F227-Y229 VanDerWaalsContact C-N 3.33Å; F227-Y229 PolarHBondContact O-N 2.87Å; Y229-K231 VanDerWaalsContact C-N 3.3Å; Y229-K231 PolarHBondContact O-N 2.77Å; Y229-D232 PolarHBondContact O-N 3Å; Y229-N233 HydrophobicContact CD2-CB 4.19Å; Y229-N233 HydrophobicContact CE2-CB 3.75Å; Y229-N233 WeakPolarHBondContact O-CB 3.42Å; Y229-N233 PolarHBondContact O-N 3.49Å; Y229-N233 PolarHBondContact OH-ND2 2.92Å
230	I	98.7	Very high	98.2	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-60.1	-41.9	-176.9	-61.6	166.6	0	0	0	111.1	L187 L206 A226 F227 G234 G235 I236 D262	L187-I230 HydrophobicContact CD2-CD1 3.69Å; L187-I230 HydrophobicContact CD2-CG2 3.93Å; L206-I230 HydrophobicContact CD2-CD1 4Å; L206-I230 HydrophobicContact CD2-CG1 3.82Å; A226-I230 VanDerWaalsContact O-CG1 3.26Å; A226-I230 WeakPolarHBondContact O-CG1 3.45Å; A226-I230 PolarHBondContact O-N 3.05Å; F227-I230 PolarHBondContact O-N 3.43Å; I230-G234 PolarHBondContact O-N 3.42Å; I230-G234 VanDerWaalsContact O-N 3.15Å; I230-G235 PolarHBondContact O-N 3.19Å; I230-I236 HydrophobicContact CD1-CB 4.41Å; I230-I236 HydrophobicContact CD1-CD1 3.93Å; I230-I236 HydrophobicContact CD1-CG2 4.46Å; I230-I236 HydrophobicContact CG1-CB 4.1Å; I230-I236 HydrophobicContact CG1-CD1 4.21Å; I230-I236 HydrophobicContact CG2-CB 4.06Å; I230-I236 HydrophobicContact CG2-CG2 4.08Å; I230-D262 HydrophobicContact CB-CB 4.03Å; I230-D262 HydrophobicContact CG2-CB 3.67Å
231	K	98.1	Very high	98.3	Very high	103 Å²	103	33.1 Å²	33.1	45%	0.448	17%	0.173	S	C	.	.	H	α-helix	trans	-59.3	-54.5	176	176.4	-165.9	177.6	-178.7	0	111.7	F227 Y229 G234 D262 R263	F227-K231 WeakPolarHBondContact O-CB 3.37Å; F227-K231 PolarHBondContact O-N 2.98Å; Y229-K231 VanDerWaalsContact C-N 3.3Å; Y229-K231 PolarHBondContact O-N 2.77Å; K231-G234 PolarHBondContact O-N 2.96Å; K231-D262 HydrophobicContact CB-CB 4.38Å; K231-R263 WeakPolarHBondContact CD-O 3.08Å; K231-R263 VanDerWaalsContact CE-O 3.26Å; K231-R263 WeakPolarHBondContact CE-O 3.28Å
232	D	97.9	Very high	98.3	Very high	97 Å²	97	33.1 Å²	33.1	52%	0.519	17%	0.173	S	C	.	.	H	α-helix	trans	-71.9	-34.3	-174.2	-70.3	-7.8	0	0	0	112.3	Y213 R228 Y229 G234	Y213-D232 HydrophobicContact CE1-CB 4.49Å; Y213-D232 VanDerWaalsContact CE1-OD2 3.28Å; Y213-D232 WeakPolarHBondContact CE1-OD2 3.12Å; Y213-D232 WeakPolarHBondContact OH-CB 3.43Å; Y213-D232 PolarHBondContact OH-OD2 3.04Å; R228-D232 PolarHBondContact O-N 3.34Å; R228-D232 VanDerWaalsContact O-N 3.1Å; Y229-D232 PolarHBondContact O-N 3Å; D232-G234 PolarHBondContact O-N 3.11Å
233	N	98.2	Very high	98.3	Very high	55 Å²	55	36.1 Å²	36.1	29%	0.294	19%	0.192	S	C	.	.	H	α-helix	trans	-69.4	-17	173.4	-170.6	59.3	0	0	0	112.4	Y229 G235 F253	Y229-N233 HydrophobicContact CD2-CB 4.19Å; Y229-N233 HydrophobicContact CE2-CB 3.75Å; Y229-N233 WeakPolarHBondContact O-CB 3.42Å; Y229-N233 PolarHBondContact O-N 3.49Å; Y229-N233 PolarHBondContact OH-ND2 2.92Å; N233-G235 PolarHBondContact ND2-O 3Å; N233-F253 WeakPolarHBondContact ND2-CD1 3.44Å; N233-F253 WeakPolarHBondContact ND2-CD2 3.43Å; N233-F253 WeakPolarHBondContact ND2-CE1 3.34Å; N233-F253 VanDerWaalsContact ND2-CE2 3.28Å; N233-F253 WeakPolarHBondContact ND2-CE2 3.41Å; N233-F253 WeakPolarHBondContact ND2-CZ 3.46Å; N233-F253 WeakPolarHBondContact OD1-CD1 3.13Å
234	G	98.2	Very high	98.3	Very high	47 Å²	47	37.9 Å²	37.9	49%	0.485	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.1	21.2	-179.1	0	0	0	0	0	113.9	I230 K231 D232 T261	I230-G234 PolarHBondContact O-N 3.42Å; I230-G234 VanDerWaalsContact O-N 3.15Å; K231-G234 PolarHBondContact O-N 2.96Å; D232-G234 PolarHBondContact O-N 3.11Å; G234-T261 WeakPolarHBondContact O-CG2 3.37Å
235	G	98.5	Very high	98.3	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.219	C	C	.	.			trans	151.4	173.8	179	0	0	0	0	0	114.6	I230 N233 A260	I230-G235 PolarHBondContact O-N 3.19Å; N233-G235 PolarHBondContact ND2-O 3Å; G235-A260 VanDerWaalsContact CA-O 3.26Å; G235-A260 WeakPolarHBondContact CA-O 3.18Å
236	I	98.9	Very high	98.3	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	141.7	173.2	-172.3	177.9	0	0	0	109.3	T184 L187 L201 S202 N205 L206 I230 V258 G259 A260	T184-I236 HydrophobicContact CG2-CD1 4.04Å; L187-I236 HydrophobicContact CD2-CG2 3.78Å; L201-I236 HydrophobicContact CB-CD1 4.37Å; L201-I236 HydrophobicContact CB-CG2 4.39Å; L201-I236 HydrophobicContact CD1-CG2 3.99Å; L201-I236 HydrophobicContact CD2-CG2 4.16Å; L201-I236 HydrophobicContact CG-CG2 4.4Å; S202-I236 WeakPolarHBondContact O-CD1 3.32Å; N205-I236 HydrophobicContact CB-CG1 4.26Å; N205-I236 WeakPolarHBondContact OD1-CA 3.11Å; N205-I236 WeakPolarHBondContact OD1-CG1 3.35Å; L206-I236 HydrophobicContact CD1-CD1 4.13Å; L206-I236 HydrophobicContact CD2-CD1 3.84Å; L206-I236 HydrophobicContact CG-CD1 3.79Å; I230-I236 HydrophobicContact CD1-CB 4.41Å; I230-I236 HydrophobicContact CD1-CD1 3.93Å; I230-I236 HydrophobicContact CD1-CG2 4.46Å; I230-I236 HydrophobicContact CG1-CB 4.1Å; I230-I236 HydrophobicContact CG1-CD1 4.21Å; I230-I236 HydrophobicContact CG2-CB 4.06Å; I230-I236 HydrophobicContact CG2-CG2 4.08Å; I236-V258 CarbonylContact O-C 3.59Å; I236-V258 WeakPolarHBondContact O-CA 3.21Å; I236-G259 PolarHBondContact O-N 3.31Å; I236-A260 HydrophobicContact CG2-CB 4.24Å; I236-A260 PolarHBondContact N-O 3.04Å
237	D	98.8	Very high	98.3	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.005	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	158.7	179.3	-82.8	-48	0	0	0	113.4	S202 N205 Y242 F253 N254 T257	S202-D237 PolarHBondContact N-O 2.99Å; N205-D237 HydrophobicContact CB-CB 4.47Å; N205-D237 PolarHBondContact OD1-N 3.29Å; D237-Y242 HydrophobicContact CB-CD2 4.18Å; D237-F253 WeakPolarHBondContact OD2-CA 3.48Å; D237-F253 WeakPolarHBondContact OD2-CD2 3.22Å; D237-N254 PolarHBondContact OD2-N 3.04Å; D237-T257 VanDerWaalsContact OD1-CB 3.25Å; D237-T257 WeakPolarHBondContact OD1-CB 3.29Å; D237-T257 PolarHBondContact OD1-OG1 3.03Å
238	T	98.8	Very high	98.2	Very high	32 Å²	32	51.5 Å²	51.5	20%	0.196	27%	0.271	C	S	.	.	B	Isolated β-bridge	trans	-73.7	151.9	169.2	71.1	0	0	0	0	111.7	V199 S200 K240 S241 Y242 T257	V199-T238 HydrophobicContact CG1-CG2 3.74Å; S200-T238 WeakPolarHBondContact O-CA 3.43Å; T238-K240 PolarHBondContact O-N 2.99Å; T238-K240 VanDerWaalsContact O-N 3.15Å; T238-K240 PolarHBondContact OG1-N 3.02Å; T238-S241 PolarHBondContact N-OG 2.89Å; T238-S241 VanDerWaalsContact N-OG 3.16Å; T238-S241 PolarHBondContact O-N 3.35Å; T238-S241 PolarHBondContact O-OG 3.36Å; T238-S241 PolarHBondContact OG1-N 3.33Å; T238-S241 PolarHBondContact OG1-OG 3.19Å; T238-Y242 PolarHBondContact O-N 3.15Å; T238-T257 PolarHBondContact N-O 2.98Å
239	E	98.7	Very high	98.2	Very high	46 Å²	46	53.1 Å²	53.1	22%	0.215	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-35	170.1	-178.1	60.3	-144.2	0	0	112	K170 S200 S241 Y242 P243 Y244	K170-E239 IonicContact NZ-OE2 3.02Å; K170-E239 PolarHBondContact NZ-OE2 2.74Å; S200-E239 PolarHBondContact O-N 2.82Å; E239-S241 PolarHBondContact O-N 3.16Å; E239-Y242 CarbonylContact O-C 3.56Å; E239-P243 VanDerWaalsContact O-CA 3.24Å; E239-P243 WeakPolarHBondContact O-CA 3.5Å; E239-Y244 PolarHBondContact OE1-N 2.84Å
240	K	98.3	Very high	98.1	Very high	196 Å²	196	56.6 Å²	56.6	85%	0.852	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-29.5	-179	-177.1	178.1	175.6	-174.6	0	113.3	T238	T238-K240 PolarHBondContact O-N 2.99Å; T238-K240 VanDerWaalsContact O-N 3.15Å; T238-K240 PolarHBondContact OG1-N 3.02Å
241	S	98.5	Very high	98.1	Very high	44 Å²	44	59.9 Å²	59.9	31%	0.308	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-26.2	-177.3	47.9	0	0	0	0	113.3	T238 E239 T257	T238-S241 PolarHBondContact N-OG 2.89Å; T238-S241 VanDerWaalsContact N-OG 3.16Å; T238-S241 PolarHBondContact O-N 3.35Å; T238-S241 PolarHBondContact O-OG 3.36Å; T238-S241 PolarHBondContact OG1-N 3.33Å; T238-S241 PolarHBondContact OG1-OG 3.19Å; E239-S241 PolarHBondContact O-N 3.16Å; S241-T257 VanDerWaalsContact CB-CB 3.43Å; S241-T257 WeakPolarHBondContact OG-CB 3.19Å
242	Y	98.5	Very high	98.1	Very high	1 Å²	1	59.3 Å²	59.3	0%	0.004	33%	0.331	C	S	.	.	S	Bend	trans	-138.9	79.6	179.9	-163.4	-24.9	0	0	0	106.9	S202 Q204 N205 D208 D237 T238 E239 H252	S202-Y242 WeakPolarHBondContact CB-O 3.41Å; S202-Y242 PolarHBondContact OG-O 2.97Å; Q204-Y242 HydrophobicContact CB-CD1 3.73Å; Q204-Y242 HydrophobicContact CB-CE1 3.74Å; Q204-Y242 HydrophobicContact CG-CD1 3.9Å; Q204-Y242 HydrophobicContact CG-CE1 3.48Å; Q204-Y242 VanDerWaalsContact CG-CE1 3.48Å; N205-Y242 HydrophobicContact CB-CD2 3.66Å; N205-Y242 HydrophobicContact CB-CE2 3.82Å; N205-Y242 HydrophobicContact CB-CG 4.18Å; D208-Y242 WeakPolarHBondContact CB-OH 3.47Å; D208-Y242 WeakPolarHBondContact OD2-CE1 3.34Å; D208-Y242 PolarHBondContact OD2-OH 2.62Å; D237-Y242 HydrophobicContact CB-CD2 4.18Å; T238-Y242 PolarHBondContact O-N 3.15Å; E239-Y242 CarbonylContact O-C 3.56Å; Y242-H252 AromaticContact CD1-CE1 3.91Å; Y242-H252 AromaticContact CD1-NE2 3.47Å; Y242-H252 WeakPolarHBondContact CD1-NE2 3.33Å; Y242-H252 AromaticContact CE1-CD2 3.86Å; Y242-H252 AromaticContact CE1-CE1 3.17Å; Y242-H252 WeakPolarHBondContact CE1-CE1 3.49Å; Y242-H252 AromaticContact CE1-ND1 3.81Å; Y242-H252 AromaticContact CE1-NE2 3.2Å; Y242-H252 WeakPolarHBondContact CE1-NE2 3.46Å; Y242-H252 AromaticContact CE2-CD2 3.85Å; Y242-H252 AromaticContact CZ-CD2 3.68Å; Y242-H252 AromaticContact CZ-CE1 3.43Å; Y242-H252 VanDerWaalsContact CZ-CE1 3.43Å; Y242-H252 AromaticContact CZ-CG 3.73Å; Y242-H252 AromaticContact CZ-ND1 3.56Å; Y242-H252 AromaticContact CZ-NE2 3.52Å; Y242-H252 PolarHBondContact OH-N 3.17Å; Y242-H252 PolarHBondContact OH-ND1 2.88Å
243	P	98.4	Very high	98.1	Very high	65 Å²	65	57 Å²	57	42%	0.422	32%	0.316	S	S	.	.			trans	-64.6	156.8	-173.1	-21.7	35	0	0	0	113.1	Q204 E239	Q204-P243 VanDerWaalsContact CB-O 3.26Å; Q204-P243 WeakPolarHBondContact CB-O 3.48Å; E239-P243 VanDerWaalsContact O-CA 3.24Å; E239-P243 WeakPolarHBondContact O-CA 3.5Å
244	Y	98.6	Very high	98.1	Very high	41 Å²	41	58.6 Å²	58.6	16%	0.161	32%	0.324	C	S	.	.			trans	-75.6	124.8	173.4	-172.4	-107.4	0	0	0	113.4	Q172 C175 S177 F181 E203 Q204 V207 E239 A246	Q172-Y244 WeakPolarHBondContact O-CE1 3.39Å; Q172-Y244 PolarHBondContact O-OH 3.19Å; C175-Y244 WeakPolarHBondContact CB-OH 3.23Å; C175-Y244 PolarHBondContact SG-OH 2.95Å; C175-Y244 VanDerWaalsContact SG-OH 3.38Å; S177-Y244 PolarHBondContact OG-OH 3.33Å; F181-Y244 HydrophobicContact CE2-CD2 4.31Å; F181-Y244 HydrophobicContact CE2-CE1 4.03Å; F181-Y244 AromaticContact CE2-CE2 3.78Å; F181-Y244 HydrophobicContact CE2-CE2 3.78Å; F181-Y244 AromaticContact CE2-CZ 3.62Å; F181-Y244 AromaticContact CZ-CD1 3.8Å; F181-Y244 HydrophobicContact CZ-CD1 3.8Å; F181-Y244 AromaticContact CZ-CD2 3.92Å; F181-Y244 HydrophobicContact CZ-CD2 3.92Å; F181-Y244 AromaticContact CZ-CE1 3.69Å; F181-Y244 HydrophobicContact CZ-CE1 3.69Å; F181-Y244 AromaticContact CZ-CE2 3.83Å; F181-Y244 HydrophobicContact CZ-CE2 3.83Å; F181-Y244 AromaticContact CZ-CG 3.9Å; F181-Y244 HydrophobicContact CZ-CG 3.9Å; F181-Y244 AromaticContact CZ-CZ 3.71Å; E203-Y244 HydrophobicContact CB-CD2 3.87Å; E203-Y244 HydrophobicContact CB-CE2 4.23Å; Q204-Y244 HydrophobicContact CB-CD2 4.39Å; V207-Y244 HydrophobicContact CG2-CE2 4.49Å; E239-Y244 PolarHBondContact OE1-N 2.84Å; Y244-A246 HydrophobicContact CD1-CB 4.34Å; Y244-A246 HydrophobicContact CE1-CB 3.51Å
245	E	97.8	Very high	98.1	Very high	98 Å²	98	64.6 Å²	64.6	46%	0.458	34%	0.337	S	S	.	.			trans	-113.5	-11.5	-174.5	-55.2	-164.3	170.4	0	0	113.6	Q204 I247	Q204-E245 HydrophobicContact CG-CG 4.47Å; E245-I247 VanDerWaalsContact C-N 3.27Å; E245-I247 HydrophobicContact CB-CG1 4Å; E245-I247 PolarHBondContact O-N 3.27Å
246	A	97.3	Very high	98.1	Very high	27 Å²	27	67.9 Å²	67.9	22%	0.223	37%	0.371	C	S	.	.	S	Bend	trans	60.3	29.2	179.1	0	0	0	0	0	115.3	C175 Y244	C175-A246 HydrophobicContact CB-CB 4.16Å; Y244-A246 HydrophobicContact CD1-CB 4.34Å; Y244-A246 HydrophobicContact CE1-CB 3.51Å
247	I	97.4	Very high	98.1	Very high	89 Å²	89	70 Å²	70	46%	0.456	38%	0.384	S	S	.	.	S	Bend	trans	-135	165.7	175.1	58.7	173.5	0	0	0	110	Q204 E245	Q204-I247 PolarHBondContact NE2-O 3.36Å; E245-I247 VanDerWaalsContact C-N 3.27Å; E245-I247 HydrophobicContact CB-CG1 4Å; E245-I247 PolarHBondContact O-N 3.27Å
248	D	97.5	Very high	98.1	Very high	81 Å²	81	72.3 Å²	72.3	43%	0.433	40%	0.398	S	S	.	.			trans	-87.6	118.2	168	-64.4	-42.5	0	0	0	109.3	G217 C218 N219	G217-D248 WeakPolarHBondContact CA-OD1 3.2Å; C218-D248 PolarHBondContact N-OD1 3.2Å; N219-D248 PolarHBondContact ND2-OD2 3.07Å
249	D	96.7	Very high	98.1	Very high	82 Å²	82	71.4 Å²	71.4	44%	0.439	40%	0.395	S	S	.	.			trans	-129.4	-178.1	174.1	-160.3	-0.1	0	0	0	111.7	D208	D208-D249 WeakPolarHBondContact CB-O 3.47Å; D208-D249 PolarHBondContact OD1-N 2.96Å
250	S	97.5	Very high	98.1	Very high	83 Å²	83	69.4 Å²	69.4	58%	0.58	39%	0.386	S	S	*	.			trans	-72.6	125.1	176.9	59.3	0	0	0	0	111.8	H252	S250-H252 PolarHBondContact O-N 3.47Å; S250-H252 VanDerWaalsContact O-N 3.13Å; S250-H252 PolarHBondContact O-ND1 3.13Å
251	C	98.4	Very high	98.1	Very high	70 Å²	70	62.8 Å²	62.8	47%	0.473	36%	0.362	S	S	.	.			trans	-53.1	116.7	176.5	174.3	0	0	0	0	112.3	D208 C209	D208-C251 HydrophobicContact CB-CB 4.24Å; C209-C251 VanDerWaalsContact CA-SG 3.59Å; C209-C251 HydrophobicContact CB-CB 3.82Å; C209-C251 WeakPolarHBondContact CB-SG 3.29Å; C209-C251 VanDerWaalsContact SG-CA 3.54Å; C209-C251 WeakPolarHBondContact SG-CB 3.49Å; C209-C251 CovalentContact SG-SG 2.02Å; C209-C251 PolarHBondContact SG-SG 3.1Å
252	H	97.6	Very high	98	Very high	91 Å²	91	61.1 Å²	61.1	42%	0.421	35%	0.35	S	S	.	.			trans	-125.2	34.5	179.6	58.6	-95.4	0	0	0	113.3	Y242 S250 N254	Y242-H252 AromaticContact CD1-CE1 3.91Å; Y242-H252 AromaticContact CD1-NE2 3.47Å; Y242-H252 WeakPolarHBondContact CD1-NE2 3.33Å; Y242-H252 AromaticContact CE1-CD2 3.86Å; Y242-H252 AromaticContact CE1-CE1 3.17Å; Y242-H252 WeakPolarHBondContact CE1-CE1 3.49Å; Y242-H252 AromaticContact CE1-ND1 3.81Å; Y242-H252 AromaticContact CE1-NE2 3.2Å; Y242-H252 WeakPolarHBondContact CE1-NE2 3.46Å; Y242-H252 AromaticContact CE2-CD2 3.85Å; Y242-H252 AromaticContact CZ-CD2 3.68Å; Y242-H252 AromaticContact CZ-CE1 3.43Å; Y242-H252 VanDerWaalsContact CZ-CE1 3.43Å; Y242-H252 AromaticContact CZ-CG 3.73Å; Y242-H252 AromaticContact CZ-ND1 3.56Å; Y242-H252 AromaticContact CZ-NE2 3.52Å; Y242-H252 PolarHBondContact OH-N 3.17Å; Y242-H252 PolarHBondContact OH-ND1 2.88Å; S250-H252 PolarHBondContact O-N 3.47Å; S250-H252 VanDerWaalsContact O-N 3.13Å; S250-H252 PolarHBondContact O-ND1 3.13Å; H252-N254 PolarHBondContact O-N 2.83Å
253	F	98.5	Very high	98	Very high	47 Å²	47	69.6 Å²	69.6	21%	0.206	38%	0.382	C	S	.	.			trans	-46.7	133.6	175.4	169.9	-109.3	0	0	0	113.1	N205 N233 D237 K255 V258	N205-F253 WeakPolarHBondContact OD1-CD2 3.45Å; N233-F253 WeakPolarHBondContact ND2-CD1 3.44Å; N233-F253 WeakPolarHBondContact ND2-CD2 3.43Å; N233-F253 WeakPolarHBondContact ND2-CE1 3.34Å; N233-F253 VanDerWaalsContact ND2-CE2 3.28Å; N233-F253 WeakPolarHBondContact ND2-CE2 3.41Å; N233-F253 WeakPolarHBondContact ND2-CZ 3.46Å; N233-F253 WeakPolarHBondContact OD1-CD1 3.13Å; D237-F253 WeakPolarHBondContact OD2-CA 3.48Å; D237-F253 WeakPolarHBondContact OD2-CD2 3.22Å; F253-K255 HydrophobicContact CE1-CB 4.27Å; F253-K255 HydrophobicContact CZ-CB 4.41Å; F253-V258 HydrophobicContact CE2-CG2 3.79Å; F253-V258 HydrophobicContact CZ-CG2 3.66Å
254	N	98.4	Very high	98	Very high	89 Å²	89	67 Å²	67	48%	0.476	37%	0.367	S	S	.	.			trans	-123.6	109.6	-179.4	179.5	-0.2	0	0	0	112	D237 H252 G256 T257	D237-N254 PolarHBondContact OD2-N 3.04Å; H252-N254 PolarHBondContact O-N 2.83Å; N254-G256 PolarHBondContact O-N 3.36Å; N254-G256 PolarHBondContact OD1-N 3.39Å; N254-T257 WeakPolarHBondContact CB-OG1 3.45Å; N254-T257 PolarHBondContact O-N 3.38Å; N254-T257 PolarHBondContact O-OG1 2.82Å
255	K	97.8	Very high	97.9	Very high	174 Å²	174	65.6 Å²	65.6	76%	0.757	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-54.2	-23.1	177.9	-171.4	169.9	-177.7	172.1	0	114.6	F253 T257	F253-K255 HydrophobicContact CE1-CB 4.27Å; F253-K255 HydrophobicContact CZ-CB 4.41Å; K255-T257 VanDerWaalsContact C-N 3.29Å; K255-T257 PolarHBondContact O-N 2.83Å
256	G	98.2	Very high	98	Very high	68 Å²	68	61.2 Å²	61.2	70%	0.701	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	-74	-12	175.7	0	0	0	0	0	115.2	N254	N254-G256 PolarHBondContact O-N 3.36Å; N254-G256 PolarHBondContact OD1-N 3.39Å
257	T	98.4	Very high	98	Very high	45 Å²	45	60.8 Å²	60.8	28%	0.276	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-123.2	16.2	-174.3	43.3	0	0	0	0	114.3	D237 T238 S241 N254 K255 G259	D237-T257 VanDerWaalsContact OD1-CB 3.25Å; D237-T257 WeakPolarHBondContact OD1-CB 3.29Å; D237-T257 PolarHBondContact OD1-OG1 3.03Å; T238-T257 PolarHBondContact N-O 2.98Å; S241-T257 VanDerWaalsContact CB-CB 3.43Å; S241-T257 WeakPolarHBondContact OG-CB 3.19Å; N254-T257 WeakPolarHBondContact CB-OG1 3.45Å; N254-T257 PolarHBondContact O-N 3.38Å; N254-T257 PolarHBondContact O-OG1 2.82Å; K255-T257 VanDerWaalsContact C-N 3.29Å; K255-T257 PolarHBondContact O-N 2.83Å; T257-G259 PolarHBondContact O-N 3.01Å
258	V	98.6	Very high	98.1	Very high	49 Å²	49	56.7 Å²	56.7	30%	0.297	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.7	117.9	174	171.9	0	0	0	0	111.5	I236 F253 A260 T261	I236-V258 CarbonylContact O-C 3.59Å; I236-V258 WeakPolarHBondContact O-CA 3.21Å; F253-V258 HydrophobicContact CE2-CG2 3.79Å; F253-V258 HydrophobicContact CZ-CG2 3.66Å; V258-A260 VanDerWaalsContact CG1-O 3.28Å; V258-A260 WeakPolarHBondContact CG1-O 3.34Å; V258-T261 HydrophobicContact CG1-CG2 4.03Å
259	G	98.4	Very high	98	Very high	14 Å²	14	54.6 Å²	54.6	14%	0.144	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	-33.1	176	0	0	0	0	0	113.9	H191 I236 T257	H191-G259 PolarHBondContact CE1-O 3.38Å; H191-G259 VanDerWaalsContact CE1-O 3.29Å; I236-G259 PolarHBondContact O-N 3.31Å; T257-G259 PolarHBondContact O-N 3.01Å
260	A	98.5	Very high	98	Very high	3 Å²	3	56.4 Å²	56.4	3%	0.025	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	163.4	178.6	0	0	0	0	0	111.9	L187 H191 L201 G235 I236 V258	L187-A260 HydrophobicContact CD1-CB 4.45Å; L187-A260 HydrophobicContact CD2-CB 4.02Å; L187-A260 HydrophobicContact CG-CB 4.01Å; H191-A260 HydrophobicContact CB-CB 4.19Å; L201-A260 HydrophobicContact CD1-CB 3.67Å; L201-A260 HydrophobicContact CD2-CB 3.74Å; L201-A260 HydrophobicContact CG-CB 4.36Å; G235-A260 VanDerWaalsContact CA-O 3.26Å; G235-A260 WeakPolarHBondContact CA-O 3.18Å; I236-A260 HydrophobicContact CG2-CB 4.24Å; I236-A260 PolarHBondContact N-O 3.04Å; V258-A260 VanDerWaalsContact CG1-O 3.28Å; V258-A260 WeakPolarHBondContact CG1-O 3.34Å
261	T	98.4	Very high	98	Very high	57 Å²	57	53.8 Å²	53.8	35%	0.35	30%	0.298	S	S	.	.			trans	-129.5	147.3	175.6	57	0	0	0	0	110	G234 V258	G234-T261 WeakPolarHBondContact O-CG2 3.37Å; V258-T261 HydrophobicContact CG1-CG2 4.03Å
262	D	98.2	Very high	98	Very high	9 Å²	9	52.8 Å²	52.8	5%	0.048	29%	0.288	C	S	.	.			trans	-113.3	156.4	174.7	-176.7	45.7	0	0	0	110.9	I230 K231 G264 P369 L370	I230-D262 HydrophobicContact CB-CB 4.03Å; I230-D262 HydrophobicContact CG2-CB 3.67Å; K231-D262 HydrophobicContact CB-CB 4.38Å; D262-G264 VanDerWaalsContact CG-N 3.32Å; D262-G264 PolarHBondContact OD1-N 2.96Å; D262-G264 VanDerWaalsContact OD2-CA 3.32Å; D262-G264 WeakPolarHBondContact OD2-CA 3.1Å; D262-G264 PolarHBondContact OD2-N 2.7Å; D262-P369 VanDerWaalsContact OD1-CB 3.3Å; D262-P369 WeakPolarHBondContact OD1-CB 3.41Å; D262-L370 CarbonylContact C-O 3.51Å; D262-L370 PolarHBondContact OD1-N 3.12Å; D262-L370 VanDerWaalsContact OD1-O 3.09Å
263	R	97.8	Very high	98	Very high	179 Å²	179	49.2 Å²	49.2	68%	0.675	27%	0.271	S	S	*	.			trans	-118.3	-3.3	175.7	-61.3	-176.7	167.3	-157.1	-7	112.5	K231 L370 V371	K231-R263 WeakPolarHBondContact CD-O 3.08Å; K231-R263 VanDerWaalsContact CE-O 3.26Å; K231-R263 WeakPolarHBondContact CE-O 3.28Å; R263-L370 HydrophobicContact CB-CB 4.45Å; R263-L370 VanDerWaalsContact CB-O 3.27Å; R263-L370 WeakPolarHBondContact CB-O 3.4Å; R263-L370 PolarHBondContact N-O 3.35Å; R263-V371 PolarHBondContact NE-OXT 3.18Å
264	G	97.3	Very high	97.9	Very high	11 Å²	11	53.5 Å²	53.5	11%	0.113	29%	0.29	C	S	.	.			trans	131	177	-173.4	0	0	0	0	0	109.9	D262 P369 L370	D262-G264 VanDerWaalsContact CG-N 3.32Å; D262-G264 PolarHBondContact OD1-N 2.96Å; D262-G264 VanDerWaalsContact OD2-CA 3.32Å; D262-G264 WeakPolarHBondContact OD2-CA 3.1Å; D262-G264 PolarHBondContact OD2-N 2.7Å; G264-P369 CarbonylContact O-C 3.52Å; G264-L370 WeakPolarHBondContact O-CB 3.41Å; G264-L370 VanDerWaalsContact O-CG 3.26Å; G264-L370 WeakPolarHBondContact O-CG 3.38Å; G264-L370 PolarHBondContact O-N 3.33Å
265	F	98.3	Very high	97.8	Very high	11 Å²	11	52 Å²	52	5%	0.048	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	158.6	-175.2	60.4	-75.3	0	0	0	111.4	G143 V144 D224 F227 R228 Y368	G143-F265 CarbonylContact C-O 3.5Å; G143-F265 WeakPolarHBondContact CA-O 3.5Å; V144-F265 PolarHBondContact N-O 3.06Å; D224-F265 HydrophobicContact CB-CD2 4.2Å; D224-F265 HydrophobicContact CB-CE1 4.38Å; D224-F265 HydrophobicContact CB-CE2 3.56Å; D224-F265 HydrophobicContact CB-CZ 3.69Å; F227-F265 HydrophobicContact CB-CB 3.96Å; F227-F265 HydrophobicContact CB-CD1 3.91Å; F227-F265 HydrophobicContact CB-CG 4.15Å; F227-F265 HydrophobicContact CD2-CB 3.54Å; F227-F265 HydrophobicContact CD2-CD1 4.46Å; F227-F265 HydrophobicContact CD2-CD2 4.42Å; F227-F265 AromaticContact CD2-CG 3.91Å; F227-F265 HydrophobicContact CD2-CG 3.91Å; F227-F265 HydrophobicContact CE2-CB 4.36Å; F227-F265 HydrophobicContact CG-CB 4.02Å; F227-F265 HydrophobicContact CG-CG 4.48Å; R228-F265 HydrophobicContact CG-CD1 4.49Å; R228-F265 HydrophobicContact CG-CE1 3.76Å; F265-Y368 CarbonylContact C-O 3.59Å; F265-Y368 VanDerWaalsContact CA-O 3.22Å; F265-Y368 WeakPolarHBondContact CA-O 3.45Å; F265-Y368 WeakPolarHBondContact CB-O 3.26Å
266	T	98.4	Very high	97.8	Very high	6 Å²	6	43.7 Å²	43.7	4%	0.037	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	132.3	172.6	-53.3	0	0	0	0	109.5	V144 F146 S367 Y368	V144-T266 HydrophobicContact CG2-CG2 4.13Å; V144-T266 WeakPolarHBondContact CG2-OG1 3.44Å; V144-T266 CarbonylContact O-C 3.49Å; V144-T266 WeakPolarHBondContact O-CA 3.39Å; V144-T266 WeakPolarHBondContact O-CG2 3.34Å; F146-T266 HydrophobicContact CB-CG2 3.69Å; F146-T266 HydrophobicContact CD2-CG2 4.43Å; T266-S367 CarbonylContact O-C 3.47Å; T266-S367 WeakPolarHBondContact O-CA 3.31Å; T266-S367 VanDerWaalsContact O-CB 3.31Å; T266-S367 WeakPolarHBondContact O-CB 3.44Å; T266-Y368 VanDerWaalsContact CB-CE2 3.48Å; T266-Y368 HydrophobicContact CG2-CE1 3.94Å; T266-Y368 HydrophobicContact CG2-CE2 4.25Å; T266-Y368 WeakPolarHBondContact CG2-OH 3.07Å; T266-Y368 PolarHBondContact N-O 2.75Å; T266-Y368 PolarHBondContact O-N 2.78Å; T266-Y368 VanDerWaalsContact OG1-CE2 3.28Å; T266-Y368 WeakPolarHBondContact OG1-CE2 3.42Å
267	D	98.2	Very high	97.8	Very high	18 Å²	18	40.8 Å²	40.8	10%	0.096	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	130.5	169.4	-70.6	-34.8	0	0	0	110.5	R135 G143 V144 F146	R135-D267 IonicContact CZ-OD1 2.7Å; R135-D267 IonicContact CZ-OD2 3.88Å; R135-D267 VanDerWaalsContact CZ-OD2 3.23Å; R135-D267 VanDerWaalsContact NH1-CG 3.25Å; R135-D267 IonicContact NH1-OD1 3.33Å; R135-D267 PolarHBondContact NH1-OD1 2.91Å; R135-D267 IonicContact NH1-OD2 2.74Å; R135-D267 PolarHBondContact NH1-OD2 3.48Å; R135-D267 IonicContact NH2-OD1 2.64Å; R135-D267 IonicContact NH2-OD2 2.66Å; R135-D267 PolarHBondContact NH2-OD2 3.32Å; G143-D267 PolarHBondContact N-OD2 3.25Å; V144-D267 PolarHBondContact O-N 3.37Å; F146-D267 WeakPolarHBondContact CB-O 3.44Å; F146-D267 PolarHBondContact N-O 3.27Å
268	I	98.1	Very high	97.8	Very high	4 Å²	4	39.6 Å²	39.6	2%	0.021	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-84.2	136.7	167.9	-63.5	155.3	0	0	0	108.1	F146 Q270 K275 M276 A279 V286 S366 Y368	F146-I268 HydrophobicContact CB-CG1 4.05Å; F146-I268 HydrophobicContact CG-CG1 4.22Å; I268-Q270 PolarHBondContact O-N 3.21Å; I268-K275 HydrophobicContact CG2-CB 3.98Å; I268-M276 HydrophobicContact CD1-CG 4.27Å; I268-M276 HydrophobicContact CG2-CB 4.2Å; I268-A279 HydrophobicContact CD1-CB 3.55Å; I268-A279 HydrophobicContact CG1-CB 3.97Å; I268-V286 HydrophobicContact CD1-CG1 3.61Å; I268-V286 HydrophobicContact CD1-CG2 4.12Å; I268-S366 WeakPolarHBondContact CB-OG 3.2Å; I268-S366 PolarHBondContact N-O 2.86Å; I268-Y368 HydrophobicContact CD1-CD1 4.19Å; I268-Y368 HydrophobicContact CD1-CE1 4.41Å; I268-Y368 HydrophobicContact CG1-CD1 4.48Å; I268-Y368 HydrophobicContact CG1-CE1 4.33Å
269	P	96.9	Very high	97.8	Very high	37 Å²	37	37.2 Å²	37.2	24%	0.24	19%	0.189	C	C	.	.	P	Polyproline II helix	trans	-53	128.3	179.3	-32.8	39.4	0	0	0	113.2	G271 D272 K275	P269-G271 PolarHBondContact O-N 3.36Å; P269-D272 HydrophobicContact CB-CB 4.2Å; P269-D272 VanDerWaalsContact O-CB 3.27Å; P269-D272 WeakPolarHBondContact O-CB 3.35Å; P269-D272 PolarHBondContact O-N 3.02Å; P269-K275 HydrophobicContact CB-CD 4.24Å; P269-K275 HydrophobicContact CG-CD 3.65Å
270	Q	96.3	Very high	97.8	Very high	119 Å²	119	36.6 Å²	36.6	56%	0.556	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.7	127.8	-169.3	-58.3	-174.2	-6.5	0	0	112.1	I268 D272 S364	I268-Q270 PolarHBondContact O-N 3.21Å; Q270-D272 PolarHBondContact O-N 2.85Å; Q270-S364 VanDerWaalsContact CG-O 3.3Å; Q270-S364 WeakPolarHBondContact CG-O 3.38Å
271	G	97.1	Very high	97.8	Very high	29 Å²	29	37.3 Å²	37.3	30%	0.299	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.7	-2.5	179.7	0	0	0	0	0	115.2	P269 E273 A363	P269-G271 PolarHBondContact O-N 3.36Å; G271-E273 PolarHBondContact O-N 3.02Å; G271-A363 PolarHBondContact N-O 3.31Å
272	D	97.6	Very high	97.7	Very high	48 Å²	48	36.4 Å²	36.4	26%	0.257	18%	0.183	S	C	.	.			trans	-82.7	78.1	179.9	-164.8	-28.5	0	0	0	110.7	P269 Q270 K274 K275 M276	P269-D272 HydrophobicContact CB-CB 4.2Å; P269-D272 VanDerWaalsContact O-CB 3.27Å; P269-D272 WeakPolarHBondContact O-CB 3.35Å; P269-D272 PolarHBondContact O-N 3.02Å; Q270-D272 PolarHBondContact O-N 2.85Å; D272-K274 PolarHBondContact O-N 2.94Å; D272-K274 VanDerWaalsContact O-N 3.11Å; D272-K274 WeakPolarHBondContact OD1-CB 3.27Å; D272-K274 PolarHBondContact OD1-N 2.76Å; D272-K275 HydrophobicContact CB-CB 4.08Å; D272-K275 HydrophobicContact CB-CD 4.47Å; D272-K275 HydrophobicContact CB-CG 4.38Å; D272-K275 PolarHBondContact O-N 2.86Å; D272-K275 VanDerWaalsContact O-N 3.1Å; D272-K275 PolarHBondContact OD1-N 2.74Å; D272-K275 VanDerWaalsContact OD2-CD 3.28Å; D272-K275 WeakPolarHBondContact OD2-CD 3.36Å; D272-K275 WeakPolarHBondContact OD2-CE 3.36Å; D272-K275 VanDerWaalsContact OD2-CG 3.31Å; D272-K275 WeakPolarHBondContact OD2-CG 3.11Å; D272-K275 IonicContact OD2-NZ 3.33Å; D272-K275 PolarHBondContact OD2-NZ 3.29Å; D272-M276 PolarHBondContact O-N 3.02Å
273	E	98.2	Very high	97.7	Very high	16 Å²	16	37 Å²	37	8%	0.075	19%	0.187	C	C	.	.	H	α-helix	trans	-52.6	-31.4	176.9	-72	-161.4	75.8	0	0	112.6	G271 M276 A277 W334 R354 N355 K356 N358 A363	G271-E273 PolarHBondContact O-N 3.02Å; E273-M276 PolarHBondContact O-N 3.02Å; E273-A277 PolarHBondContact O-N 2.89Å; E273-W334 HydrophobicContact CB-CZ2 4.11Å; E273-W334 HydrophobicContact CG-CZ2 4.45Å; E273-W334 WeakPolarHBondContact O-CH2 3.19Å; E273-W334 PolarHBondContact OE1-NE1 3.05Å; E273-R354 WeakPolarHBondContact OE1-CA 3.27Å; E273-N355 VanDerWaalsContact CD-N 3.33Å; E273-N355 PolarHBondContact OE1-N 3.18Å; E273-N355 WeakPolarHBondContact OE2-CA 3.34Å; E273-N355 PolarHBondContact OE2-N 3.4Å; E273-K356 PolarHBondContact OE2-N 3.23Å; E273-K356 VanDerWaalsContact OE2-N 3.1Å; E273-N358 PolarHBondContact OE2-N 2.81Å; E273-A363 HydrophobicContact CG-CB 4.14Å
274	K	96.4	Very high	97.7	Very high	137 Å²	137	28.5 Å²	28.5	60%	0.596	16%	0.155	S	C	*	.	H	α-helix	trans	-68.5	-49.4	177.6	-173.6	-165.1	174.6	-148.8	0	110.9	D272 M276 A277 E278	D272-K274 PolarHBondContact O-N 2.94Å; D272-K274 VanDerWaalsContact O-N 3.11Å; D272-K274 WeakPolarHBondContact OD1-CB 3.27Å; D272-K274 PolarHBondContact OD1-N 2.76Å; K274-M276 VanDerWaalsContact C-N 3.26Å; K274-M276 PolarHBondContact O-N 3.29Å; K274-A277 WeakPolarHBondContact O-CB 3.34Å; K274-A277 PolarHBondContact O-N 3.33Å; K274-A277 VanDerWaalsContact O-N 3.09Å; K274-E278 WeakPolarHBondContact CE-OE1 3.03Å; K274-E278 IonicContact NZ-OE1 2.65Å; K274-E278 PolarHBondContact NZ-OE1 3.46Å; K274-E278 WeakPolarHBondContact O-CG 3.36Å; K274-E278 PolarHBondContact O-N 3.26Å
275	K	97	Very high	97.7	Very high	58 Å²	58	28 Å²	28	25%	0.252	15%	0.15	S	C	.	.	H	α-helix	trans	-63.6	-33.7	174.5	-76.2	-170.5	-171.9	108.5	0	112.3	F146 I268 P269 D272 A277 E278 A279	F146-K275 HydrophobicContact CD1-CB 3.96Å; F146-K275 HydrophobicContact CD1-CD 4.18Å; F146-K275 HydrophobicContact CD1-CG 4.3Å; F146-K275 HydrophobicContact CE1-CB 3.99Å; F146-K275 HydrophobicContact CE1-CG 4.28Å; F146-K275 WeakPolarHBondContact CE1-O 3.39Å; I268-K275 HydrophobicContact CG2-CB 3.98Å; P269-K275 HydrophobicContact CB-CD 4.24Å; P269-K275 HydrophobicContact CG-CD 3.65Å; D272-K275 HydrophobicContact CB-CB 4.08Å; D272-K275 HydrophobicContact CB-CD 4.47Å; D272-K275 HydrophobicContact CB-CG 4.38Å; D272-K275 PolarHBondContact O-N 2.86Å; D272-K275 VanDerWaalsContact O-N 3.1Å; D272-K275 PolarHBondContact OD1-N 2.74Å; D272-K275 VanDerWaalsContact OD2-CD 3.28Å; D272-K275 WeakPolarHBondContact OD2-CD 3.36Å; D272-K275 WeakPolarHBondContact OD2-CE 3.36Å; D272-K275 VanDerWaalsContact OD2-CG 3.31Å; D272-K275 WeakPolarHBondContact OD2-CG 3.11Å; D272-K275 IonicContact OD2-NZ 3.33Å; D272-K275 PolarHBondContact OD2-NZ 3.29Å; K275-A277 VanDerWaalsContact C-N 3.31Å; K275-A277 PolarHBondContact O-N 2.91Å; K275-E278 PolarHBondContact O-N 2.96Å; K275-A279 WeakPolarHBondContact O-CB 3.49Å; K275-A279 PolarHBondContact O-N 3.43Å
276	M	98.3	Very high	97.8	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-63.3	-38.4	172	-166.5	167	73.5	0	0	111.5	I268 D272 E273 K274 A279 V280 V288 V321 W334 I362 A363	I268-M276 HydrophobicContact CD1-CG 4.27Å; I268-M276 HydrophobicContact CG2-CB 4.2Å; D272-M276 PolarHBondContact O-N 3.02Å; E273-M276 PolarHBondContact O-N 3.02Å; K274-M276 VanDerWaalsContact C-N 3.26Å; K274-M276 PolarHBondContact O-N 3.29Å; M276-A279 PolarHBondContact O-N 2.65Å; M276-V280 HydrophobicContact CG-CG2 4.38Å; M276-V280 WeakPolarHBondContact O-CB 3.2Å; M276-V280 VanDerWaalsContact O-CG2 3.23Å; M276-V280 WeakPolarHBondContact O-CG2 3.4Å; M276-V280 PolarHBondContact O-N 3.25Å; M276-V288 HydrophobicContact SD-CG1 3.78Å; M276-V321 HydrophobicContact CE-CG2 4.49Å; M276-W334 HydrophobicContact CB-CH2 4.04Å; M276-W334 HydrophobicContact CB-CZ2 4.37Å; M276-W334 HydrophobicContact CE-CD2 3.72Å; M276-W334 HydrophobicContact CE-CE3 4.08Å; M276-W334 HydrophobicContact CE-CG 4.42Å; M276-W334 HydrophobicContact CE-CH2 3.72Å; M276-W334 HydrophobicContact CE-CZ2 3.33Å; M276-W334 HydrophobicContact CE-CZ3 4.08Å; M276-W334 HydrophobicContact CG-CH2 4.14Å; M276-W334 HydrophobicContact CG-CZ3 4.44Å; M276-I362 HydrophobicContact CE-CG1 4.22Å; M276-I362 HydrophobicContact CE-CG2 4.19Å; M276-A363 HydrophobicContact CE-CB 4.04Å; M276-A363 HydrophobicContact SD-CB 4.06Å
277	A	98.1	Very high	97.8	Very high	7 Å²	7	27.2 Å²	27.2	6%	0.058	15%	0.146	C	C	.	.	H	α-helix	trans	-66.7	-39.2	175.1	0	0	0	0	0	111.7	L154 E273 K274 K275 V280 A281 F324 W334	L154-A277 HydrophobicContact CD1-CB 3.98Å; E273-A277 PolarHBondContact O-N 2.89Å; K274-A277 WeakPolarHBondContact O-CB 3.34Å; K274-A277 PolarHBondContact O-N 3.33Å; K274-A277 VanDerWaalsContact O-N 3.09Å; K275-A277 VanDerWaalsContact C-N 3.31Å; K275-A277 PolarHBondContact O-N 2.91Å; A277-V280 PolarHBondContact O-N 3.3Å; A277-A281 VanDerWaalsContact O-CB 3.25Å; A277-A281 WeakPolarHBondContact O-CB 3.26Å; A277-A281 PolarHBondContact O-N 3.18Å; A277-F324 HydrophobicContact CB-CE1 4.13Å; A277-F324 HydrophobicContact CB-CZ 4.38Å; A277-F324 WeakPolarHBondContact O-CE1 3.49Å; A277-W334 HydrophobicContact CB-CH2 3.79Å; A277-W334 HydrophobicContact CB-CZ3 4.35Å
278	E	97.8	Very high	97.8	Very high	19 Å²	19	26.3 Å²	26.3	9%	0.089	14%	0.141	C	C	.	.	H	α-helix	trans	-62.1	-46.9	174	-66.7	166.5	179.9	0	0	111.5	F146 S148 L154 K274 K275 A281 T282	F146-E278 HydrophobicContact CE1-CB 4.11Å; F146-E278 HydrophobicContact CZ-CB 4.03Å; S148-E278 WeakPolarHBondContact CB-OE2 3.17Å; S148-E278 PolarHBondContact OG-OE2 3.27Å; L154-E278 HydrophobicContact CD1-CG 4.02Å; L154-E278 HydrophobicContact CD2-CB 4.34Å; L154-E278 HydrophobicContact CD2-CG 4Å; L154-E278 HydrophobicContact CG-CG 4.4Å; K274-E278 WeakPolarHBondContact CE-OE1 3.03Å; K274-E278 IonicContact NZ-OE1 2.65Å; K274-E278 PolarHBondContact NZ-OE1 3.46Å; K274-E278 WeakPolarHBondContact O-CG 3.36Å; K274-E278 PolarHBondContact O-N 3.26Å; K275-E278 PolarHBondContact O-N 2.96Å; E278-A281 PolarHBondContact O-N 3.31Å; E278-T282 WeakPolarHBondContact O-CB 3.49Å; E278-T282 WeakPolarHBondContact O-CG2 3.49Å; E278-T282 PolarHBondContact O-N 3.11Å; E278-T282 PolarHBondContact O-OG1 2.89Å
279	A	98.2	Very high	97.9	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-62.7	-47.4	175.1	0	0	0	0	0	111.9	F146 I268 K275 M276 A281 T282 V283 G284 V286 Y368	F146-A279 HydrophobicContact CD2-CB 4.2Å; F146-A279 HydrophobicContact CE1-CB 4.3Å; F146-A279 HydrophobicContact CE2-CB 3.81Å; F146-A279 HydrophobicContact CZ-CB 3.86Å; I268-A279 HydrophobicContact CD1-CB 3.55Å; I268-A279 HydrophobicContact CG1-CB 3.97Å; K275-A279 WeakPolarHBondContact O-CB 3.49Å; K275-A279 PolarHBondContact O-N 3.43Å; M276-A279 PolarHBondContact O-N 2.65Å; A279-A281 VanDerWaalsContact C-N 3.33Å; A279-A281 PolarHBondContact O-N 3.06Å; A279-T282 PolarHBondContact O-N 3.1Å; A279-V283 WeakPolarHBondContact O-CA 3.42Å; A279-V283 VanDerWaalsContact O-CB 3.27Å; A279-V283 WeakPolarHBondContact O-CB 3.4Å; A279-V283 PolarHBondContact O-N 3.21Å; A279-G284 PolarHBondContact O-N 3.05Å; A279-V286 HydrophobicContact CB-CG2 4.38Å; A279-Y368 HydrophobicContact CB-CE1 4.12Å
280	V	98.6	Very high	97.9	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-61.7	-40.2	178.2	171.5	0	0	0	0	111.4	V158 W160 M276 A277 G284 V286 V321 F324 W334	V158-V280 HydrophobicContact CG1-CG1 4.28Å; W160-V280 PolarHBondContact NE1-O 2.79Å; M276-V280 HydrophobicContact CG-CG2 4.38Å; M276-V280 WeakPolarHBondContact O-CB 3.2Å; M276-V280 VanDerWaalsContact O-CG2 3.23Å; M276-V280 WeakPolarHBondContact O-CG2 3.4Å; M276-V280 PolarHBondContact O-N 3.25Å; A277-V280 PolarHBondContact O-N 3.3Å; V280-G284 WeakPolarHBondContact CA-O 3.39Å; V280-V286 HydrophobicContact CG2-CB 4.1Å; V280-V286 HydrophobicContact CG2-CG2 3.69Å; V280-V321 HydrophobicContact CG1-CG1 4.37Å; V280-V321 HydrophobicContact CG2-CB 4.35Å; V280-V321 HydrophobicContact CG2-CG1 3.69Å; V280-F324 HydrophobicContact CB-CD1 4.23Å; V280-F324 HydrophobicContact CB-CE1 4.25Å; V280-F324 HydrophobicContact CG1-CD1 3.81Å; V280-F324 HydrophobicContact CG1-CE1 4.06Å; V280-W334 HydrophobicContact CG2-CZ3 4.32Å
281	A	97.9	Very high	98	Very high	18 Å²	18	18.7 Å²	18.7	15%	0.149	10%	0.102	C	C	.	.	H	α-helix	trans	-71.5	-38	179.3	0	0	0	0	0	113.6	L154 V158 A277 E278 A279 F324	L154-A281 HydrophobicContact CD2-CB 3.66Å; V158-A281 HydrophobicContact CG2-CB 4.07Å; A277-A281 VanDerWaalsContact O-CB 3.25Å; A277-A281 WeakPolarHBondContact O-CB 3.26Å; A277-A281 PolarHBondContact O-N 3.18Å; E278-A281 PolarHBondContact O-N 3.31Å; A279-A281 VanDerWaalsContact C-N 3.33Å; A279-A281 PolarHBondContact O-N 3.06Å; A281-F324 HydrophobicContact CB-CE1 4.19Å; A281-F324 HydrophobicContact CB-CZ 4.21Å
282	T	96.7	Very high	98.1	Very high	39 Å²	39	17.3 Å²	17.3	24%	0.239	9%	0.088	C	C	.	.	H	α-helix	trans	-103.1	-23.1	-169.5	62.3	0	0	0	0	114.5	P149 V152 R193 E278 A279	P149-T282 HydrophobicContact CG-CG2 4.43Å; V152-T282 HydrophobicContact CG1-CG2 3.81Å; V152-T282 HydrophobicContact CG2-CG2 4.03Å; R193-T282 PolarHBondContact NH2-O 3.38Å; E278-T282 WeakPolarHBondContact O-CB 3.49Å; E278-T282 WeakPolarHBondContact O-CG2 3.49Å; E278-T282 PolarHBondContact O-N 3.11Å; E278-T282 PolarHBondContact O-OG1 2.89Å; A279-T282 PolarHBondContact O-N 3.1Å
283	V	97.4	Very high	98	Very high	22 Å²	22	15.7 Å²	15.7	13%	0.133	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.5	-30.5	-172.6	-168	0	0	0	0	113.5	F146 Q190 R193 A279 Y368	F146-V283 HydrophobicContact CE2-CG2 4.27Å; Q190-V283 PolarHBondContact NE2-O 2.87Å; Q190-V283 PolarHBondContact OE1-O 2.71Å; Q190-V283 VanDerWaalsContact OE1-O 3.06Å; R193-V283 WeakPolarHBondContact CD-O 3.28Å; R193-V283 PolarHBondContact NE-O 3.1Å; R193-V283 PolarHBondContact NH1-O 3.31Å; A279-V283 WeakPolarHBondContact O-CA 3.42Å; A279-V283 VanDerWaalsContact O-CB 3.27Å; A279-V283 WeakPolarHBondContact O-CB 3.4Å; A279-V283 PolarHBondContact O-N 3.21Å; V283-Y368 HydrophobicContact CB-CE1 4.41Å; V283-Y368 HydrophobicContact CB-CE2 4.46Å; V283-Y368 HydrophobicContact CG1-CD2 3.78Å; V283-Y368 HydrophobicContact CG1-CE1 4.22Å; V283-Y368 HydrophobicContact CG1-CE2 3.47Å; V283-Y368 VanDerWaalsContact CG1-CE2 3.47Å; V283-Y368 HydrophobicContact CG1-CG 4.31Å; V283-Y368 HydrophobicContact CG2-CE1 4.42Å
284	G	98.2	Very high	97.9	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.084	C	C	.	.			trans	131.3	-162.3	177.4	0	0	0	0	0	113.9	A279 V280	A279-G284 PolarHBondContact O-N 3.05Å; V280-G284 WeakPolarHBondContact CA-O 3.39Å
285	P	98.8	Very high	97.9	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.071	C	C	.	.			trans	-57.5	144.4	166.7	-24.1	35.6	0	0	0	112.3	W160 V166 L320 V321 V322	W160-P285 HydrophobicContact CB-CG 4.04Å; W160-P285 HydrophobicContact CG-CG 4.12Å; V166-P285 HydrophobicContact CG2-CG 4.26Å; P285-L320 HydrophobicContact CB-CD1 3.84Å; P285-L320 HydrophobicContact CB-CD2 3.98Å; P285-L320 HydrophobicContact CB-CG 3.98Å; P285-V321 CarbonylContact C-O 3.18Å; P285-V321 VanDerWaalsContact CA-O 3.22Å; P285-V321 WeakPolarHBondContact CA-O 3.35Å; P285-V322 HydrophobicContact CB-CG1 4.33Å
286	V	98.9	Very high	98	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	129.6	-175.7	172.3	0	0	0	0	109.3	I268 A279 V280 V288 V321 Y368	I268-V286 HydrophobicContact CD1-CG1 3.61Å; I268-V286 HydrophobicContact CD1-CG2 4.12Å; A279-V286 HydrophobicContact CB-CG2 4.38Å; V280-V286 HydrophobicContact CG2-CB 4.1Å; V280-V286 HydrophobicContact CG2-CG2 3.69Å; V286-V288 HydrophobicContact CG1-CG1 4.04Å; V286-V321 PolarHBondContact N-O 3.14Å; V286-V321 PolarHBondContact O-N 2.89Å; V286-Y368 HydrophobicContact CG2-CD1 4.25Å
287	S	98.9	Very high	98	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	132.6	171.5	-65.2	0	0	0	0	109.6	S182 A186 S366 S367	S182-S287 PolarHBondContact O-OG 3.03Å; S182-S287 WeakPolarHBondContact OG-CA 3.14Å; S182-S287 WeakPolarHBondContact OG-CB 3.38Å; S182-S287 PolarHBondContact OG-OG 3.27Å; A186-S287 WeakPolarHBondContact CB-OG 3.29Å; S287-S366 WeakPolarHBondContact O-CA 3.39Å; S287-S367 WeakPolarHBondContact CB-O 3.42Å; S287-S367 PolarHBondContact N-O 3Å; S287-S367 PolarHBondContact O-N 2.66Å
288	V	98.9	Very high	98	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	154.8	176.3	-54.5	0	0	0	0	111.1	M276 V286 I290 V319 V321 I362 A365	M276-V288 HydrophobicContact SD-CG1 3.78Å; V286-V288 HydrophobicContact CG1-CG1 4.04Å; V288-I290 HydrophobicContact CG2-CG2 4.37Å; V288-V319 HydrophobicContact CG2-CG2 3.48Å; V288-V319 VanDerWaalsContact CG2-CG2 3.48Å; V288-V319 PolarHBondContact N-O 2.56Å; V288-V319 PolarHBondContact O-N 3.49Å; V288-V319 VanDerWaalsContact O-O 3.08Å; V288-V321 HydrophobicContact CB-CG2 4.37Å; V288-V321 HydrophobicContact CG1-CB 4.47Å; V288-V321 HydrophobicContact CG1-CG2 3.62Å; V288-V321 HydrophobicContact CG2-CG2 3.75Å; V288-I362 HydrophobicContact CB-CG1 4.49Å; V288-I362 WeakPolarHBondContact CB-O 3.18Å; V288-I362 WeakPolarHBondContact CG1-O 3.43Å; V288-I362 HydrophobicContact CG2-CG1 3.96Å; V288-A365 WeakPolarHBondContact CA-O 3.43Å
289	A	98.7	Very high	98	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	147.7	162.6	0	0	0	0	0	111.2	F126 M223 L315 H317 A365	F126-A289 HydrophobicContact CD1-CB 3.37Å; F126-A289 HydrophobicContact CD2-CB 4Å; F126-A289 HydrophobicContact CE1-CB 3.24Å; F126-A289 HydrophobicContact CE2-CB 3.9Å; F126-A289 HydrophobicContact CG-CB 3.74Å; F126-A289 HydrophobicContact CZ-CB 3.53Å; M223-A289 HydrophobicContact CE-CB 4.27Å; A289-L315 HydrophobicContact CB-CB 3.96Å; A289-L315 HydrophobicContact CB-CD1 3.93Å; A289-H317 CarbonylContact C-O 3.5Å; A289-H317 VanDerWaalsContact CA-O 3.29Å; A289-H317 WeakPolarHBondContact CA-O 3.38Å; A289-A365 HydrophobicContact CB-CB 4.19Å; A289-A365 PolarHBondContact N-O 3.23Å; A289-A365 VanDerWaalsContact N-O 3.13Å
290	I	98.7	Very high	98	Very high	0 Å²	0	10 Å²	10	0%	0	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	159.1	179	55.9	167.7	0	0	0	111.1	V288 A292 F297 L315 D316 H317 V319 M352 C360 I362	V288-I290 HydrophobicContact CG2-CG2 4.37Å; I290-A292 HydrophobicContact CD1-CB 4.31Å; I290-A292 HydrophobicContact CG1-CB 4.46Å; I290-A292 PolarHBondContact O-N 3.2Å; I290-F297 HydrophobicContact CD1-CE1 4.35Å; I290-F297 HydrophobicContact CD1-CE2 3.5Å; I290-F297 VanDerWaalsContact CD1-CE2 3.5Å; I290-F297 HydrophobicContact CD1-CZ 3.39Å; I290-L315 WeakPolarHBondContact O-CA 3.39Å; I290-D316 PolarHBondContact O-N 3.01Å; I290-H317 HydrophobicContact CG1-CB 4.22Å; I290-H317 PolarHBondContact N-O 2.92Å; I290-H317 PolarHBondContact O-N 2.84Å; I290-H317 VanDerWaalsContact O-N 3.12Å; I290-V319 HydrophobicContact CD1-CG1 4.02Å; I290-V319 HydrophobicContact CD1-CG2 3.92Å; I290-V319 HydrophobicContact CG1-CG1 4.38Å; I290-V319 HydrophobicContact CG1-CG2 3.98Å; I290-V319 HydrophobicContact CG2-CG2 4.13Å; I290-M352 HydrophobicContact CB-CE 4.2Å; I290-M352 HydrophobicContact CD1-CE 3.97Å; I290-M352 HydrophobicContact CD1-SD 3.81Å; I290-M352 HydrophobicContact CG2-CE 3.87Å; I290-M352 HydrophobicContact CG2-SD 4.09Å; I290-C360 CarbonylContact C-O 3.58Å; I290-C360 WeakPolarHBondContact CA-O 3.24Å; I290-I362 HydrophobicContact CG2-CB 3.91Å; I290-I362 HydrophobicContact CG2-CD1 4.25Å; I290-I362 HydrophobicContact CG2-CG1 3.78Å
291	D	98.3	Very high	98	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	7%	0.068	C	C	.	.			trans	-72.4	108.6	156.4	180	-3.4	0	0	0	109.2	S293 H294 C310 D311 C360	D291-S293 WeakPolarHBondContact OD1-CA 3.17Å; D291-S293 WeakPolarHBondContact OD1-CB 3.38Å; D291-S293 PolarHBondContact OD1-N 3.22Å; D291-S293 PolarHBondContact OD1-OG 3.32Å; D291-H294 IonicContact OD1-CD2 3.23Å; D291-H294 IonicContact OD1-NE2 3.68Å; D291-H294 PolarHBondContact OD1-NE2 3.06Å; D291-H294 VanDerWaalsContact OD1-NE2 3.11Å; D291-H294 IonicContact OD2-CD2 3.2Å; D291-H294 IonicContact OD2-NE2 3.43Å; D291-H294 PolarHBondContact OD2-NE2 3.45Å; D291-C310 WeakPolarHBondContact OD2-CA 3.34Å; D291-D311 PolarHBondContact OD2-N 3.22Å; D291-C360 HydrophobicContact CB-CB 4.17Å; D291-C360 PolarHBondContact N-O 3.04Å
292	A	97.9	Very high	98	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.08	C	C	.	.			trans	-111	24.2	170.2	0	0	0	0	0	111.4	N124 I290 H294 F297 D316 H317 W340	N124-A292 PolarHBondContact ND2-O 3.15Å; I290-A292 HydrophobicContact CD1-CB 4.31Å; I290-A292 HydrophobicContact CG1-CB 4.46Å; I290-A292 PolarHBondContact O-N 3.2Å; A292-H294 PolarHBondContact O-N 2.83Å; A292-F297 HydrophobicContact CB-CD1 3.62Å; A292-F297 HydrophobicContact CB-CD2 4.43Å; A292-F297 HydrophobicContact CB-CE1 3.73Å; A292-F297 HydrophobicContact CB-CG 4.01Å; A292-F297 HydrophobicContact CB-CZ 4.2Å; A292-D316 PolarHBondContact N-OD1 2.76Å; A292-H317 HydrophobicContact CB-CB 3.46Å; A292-H317 VanDerWaalsContact CB-CB 3.46Å; A292-W340 HydrophobicContact CB-CH2 4.42Å
293	S	95.9	Very high	98	Very high	13 Å²	13	14.2 Å²	14.2	9%	0.091	8%	0.08	C	C	.	.			trans	-83.7	16.3	-171.4	73.6	0	0	0	0	115.4	H116 R120 D291 N314 D316	H116-S293 PolarHBondContact NE2-O 3Å; R120-S293 VanDerWaalsContact NE-CB 3.33Å; R120-S293 VanDerWaalsContact NH2-CB 3.35Å; D291-S293 WeakPolarHBondContact OD1-CA 3.17Å; D291-S293 WeakPolarHBondContact OD1-CB 3.38Å; D291-S293 PolarHBondContact OD1-N 3.22Å; D291-S293 PolarHBondContact OD1-OG 3.32Å; S293-N314 PolarHBondContact OG-ND2 3.06Å; S293-D316 WeakPolarHBondContact CB-OD2 3.3Å
294	H	97.1	Very high	98.1	Very high	35 Å²	35	13.2 Å²	13.2	16%	0.162	7%	0.074	C	C	.	.	S	Bend	trans	-117.1	143.6	-173.3	-62.1	-85.1	0	0	0	112.3	D291 A292 S296 F297 Q298 E307 Q309 C310	D291-H294 IonicContact OD1-CD2 3.23Å; D291-H294 IonicContact OD1-NE2 3.68Å; D291-H294 PolarHBondContact OD1-NE2 3.06Å; D291-H294 VanDerWaalsContact OD1-NE2 3.11Å; D291-H294 IonicContact OD2-CD2 3.2Å; D291-H294 IonicContact OD2-NE2 3.43Å; D291-H294 PolarHBondContact OD2-NE2 3.45Å; A292-H294 PolarHBondContact O-N 2.83Å; H294-S296 WeakPolarHBondContact CB-OG 3.28Å; H294-S296 PolarHBondContact O-N 3.1Å; H294-F297 WeakPolarHBondContact O-CB 3.48Å; H294-F297 PolarHBondContact O-N 2.93Å; H294-Q298 PolarHBondContact O-N 3.05Å; H294-E307 HydrophobicContact CB-CG 4.11Å; H294-Q309 WeakPolarHBondContact CE1-CB 3.4Å; H294-Q309 PolarHBondContact CE1-O 2.97Å; H294-Q309 PolarHBondContact NE2-O 2.85Å; H294-Q309 VanDerWaalsContact NE2-O 3.17Å; H294-C310 WeakPolarHBondContact NE2-CA 3.46Å
295	E	96.2	Very high	98.1	Very high	69 Å²	69	13.2 Å²	13.2	32%	0.322	7%	0.074	S	C	.	.	H	α-helix	trans	-60.3	-29.3	175.5	-64.1	-173.1	143.9	0	0	112.1	K89 H116 F297 Q298 F299	K89-E295 VanDerWaalsContact CD-OE2 3.29Å; K89-E295 WeakPolarHBondContact CD-OE2 3.1Å; K89-E295 WeakPolarHBondContact CE-OE2 3.26Å; K89-E295 VanDerWaalsContact NZ-CD 3.32Å; K89-E295 IonicContact NZ-OE1 2.96Å; K89-E295 PolarHBondContact NZ-OE1 3.27Å; K89-E295 IonicContact NZ-OE2 2.67Å; K89-E295 PolarHBondContact NZ-OE2 3.48Å; H116-E295 HydrophobicContact CB-CG 3.87Å; H116-E295 PolarHBondContact CE1-N 3.49Å; H116-E295 VanDerWaalsContact CG-CG 3.46Å; E295-F297 VanDerWaalsContact C-N 3.32Å; E295-F297 PolarHBondContact O-N 2.87Å; E295-Q298 PolarHBondContact O-N 3.32Å; E295-F299 WeakPolarHBondContact O-CD2 3.44Å; E295-F299 PolarHBondContact O-N 3.29Å
296	S	98	Very high	98.1	Very high	10 Å²	10	15.5 Å²	15.5	7%	0.07	9%	0.086	C	C	.	.	H	α-helix	trans	-67.1	-29.5	173.9	50.2	0	0	0	0	112.8	L106 H294 Y300 Y305 E307	L106-S296 WeakPolarHBondContact CD2-O 3.38Å; H294-S296 WeakPolarHBondContact CB-OG 3.28Å; H294-S296 PolarHBondContact O-N 3.1Å; S296-Y300 PolarHBondContact O-N 2.88Å; S296-Y305 PolarHBondContact OG-OH 3.01Å; S296-E307 WeakPolarHBondContact CB-OE2 3.47Å; S296-E307 PolarHBondContact OG-OE2 2.71Å
297	F	98.2	Very high	98	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-75.6	-44	172.2	-162	-85	0	0	0	111.2	I290 A292 H294 E295 F299 Y300 Y305 W340 W344 I350 M352	I290-F297 HydrophobicContact CD1-CE1 4.35Å; I290-F297 HydrophobicContact CD1-CE2 3.5Å; I290-F297 VanDerWaalsContact CD1-CE2 3.5Å; I290-F297 HydrophobicContact CD1-CZ 3.39Å; A292-F297 HydrophobicContact CB-CD1 3.62Å; A292-F297 HydrophobicContact CB-CD2 4.43Å; A292-F297 HydrophobicContact CB-CE1 3.73Å; A292-F297 HydrophobicContact CB-CG 4.01Å; A292-F297 HydrophobicContact CB-CZ 4.2Å; H294-F297 WeakPolarHBondContact O-CB 3.48Å; H294-F297 PolarHBondContact O-N 2.93Å; E295-F297 VanDerWaalsContact C-N 3.32Å; E295-F297 PolarHBondContact O-N 2.87Å; F297-F299 PolarHBondContact O-N 3.05Å; F297-F299 VanDerWaalsContact O-N 3.15Å; F297-Y300 PolarHBondContact O-N 2.8Å; F297-Y305 HydrophobicContact CB-CE2 4.23Å; F297-Y305 HydrophobicContact CD2-CD1 4.34Å; F297-Y305 AromaticContact CD2-CE1 3.84Å; F297-Y305 HydrophobicContact CD2-CE1 3.84Å; F297-Y305 HydrophobicContact CD2-CE2 4.24Å; F297-Y305 AromaticContact CD2-CZ 3.78Å; F297-W340 AromaticContact CD1-CH2 3.55Å; F297-W340 HydrophobicContact CD1-CH2 3.55Å; F297-W340 AromaticContact CD1-CZ3 3.55Å; F297-W340 HydrophobicContact CD1-CZ3 3.55Å; F297-W340 HydrophobicContact CE1-CE3 4.47Å; F297-W340 AromaticContact CE1-CH2 3.42Å; F297-W340 HydrophobicContact CE1-CH2 3.42Å; F297-W340 VanDerWaalsContact CE1-CH2 3.42Å; F297-W340 HydrophobicContact CE1-CZ2 4.42Å; F297-W340 AromaticContact CE1-CZ3 3.43Å; F297-W340 HydrophobicContact CE1-CZ3 3.43Å; F297-W340 VanDerWaalsContact CE1-CZ3 3.43Å; F297-W344 AromaticContact CD1-CZ2 3.94Å; F297-W344 HydrophobicContact CD1-CZ2 3.94Å; F297-W344 AromaticContact CE1-CH2 3.93Å; F297-W344 HydrophobicContact CE1-CH2 3.93Å; F297-W344 AromaticContact CE1-CZ2 3.61Å; F297-W344 HydrophobicContact CE1-CZ2 3.61Å; F297-W344 AromaticContact CZ-CH2 3.94Å; F297-W344 HydrophobicContact CZ-CH2 3.94Å; F297-W344 HydrophobicContact CZ-CZ2 4.04Å; F297-W344 WeakPolarHBondContact O-CZ2 3.27Å; F297-W344 PolarHBondContact O-NE1 3.45Å; F297-I350 HydrophobicContact CD2-CD1 4.01Å; F297-I350 HydrophobicContact CE2-CD1 3.59Å; F297-I350 HydrophobicContact CZ-CD1 4.15Å; F297-M352 HydrophobicContact CE2-CE 4.26Å; F297-M352 HydrophobicContact CE2-SD 4.18Å
298	Q	97.8	Very high	97.9	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-51.6	-38.9	177.3	178.6	173.9	-5.8	0	0	112.3	N109 Y111 H116 F119 H294 E295 W344	N109-Q298 PolarHBondContact ND2-O 2.79Å; Y111-Q298 PolarHBondContact O-NE2 3.13Å; Y111-Q298 VanDerWaalsContact O-NE2 3.14Å; H116-Q298 PolarHBondContact ND1-OE1 2.04Å; F119-Q298 HydrophobicContact CD1-CB 3.89Å; F119-Q298 HydrophobicContact CD1-CG 3.75Å; F119-Q298 HydrophobicContact CD2-CG 3.77Å; F119-Q298 HydrophobicContact CE1-CB 3.53Å; F119-Q298 HydrophobicContact CE1-CG 3.73Å; F119-Q298 HydrophobicContact CE2-CB 4.32Å; F119-Q298 HydrophobicContact CE2-CG 3.73Å; F119-Q298 HydrophobicContact CG-CB 4.41Å; F119-Q298 VanDerWaalsContact CG-CD 3.44Å; F119-Q298 HydrophobicContact CG-CG 3.75Å; F119-Q298 HydrophobicContact CZ-CB 3.75Å; F119-Q298 HydrophobicContact CZ-CG 3.7Å; H294-Q298 PolarHBondContact O-N 3.05Å; E295-Q298 PolarHBondContact O-N 3.32Å; Q298-W344 PolarHBondContact O-NE1 3.16Å; Q298-W344 VanDerWaalsContact O-NE1 3.16Å
299	F	98.5	Very high	97.7	Very high	1 Å²	1	28.9 Å²	28.9	0%	0.004	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.2	10.4	-176.3	-57.8	-57.2	0	0	0	115.2	N86 I90 L106 A107 A112 E295 F297 S301	N86-F299 HydrophobicContact CB-CE2 3.99Å; N86-F299 HydrophobicContact CB-CZ 3.78Å; I90-F299 HydrophobicContact CD1-CB 4.12Å; I90-F299 HydrophobicContact CD1-CD1 3.92Å; I90-F299 HydrophobicContact CD1-CD2 4.24Å; I90-F299 HydrophobicContact CD1-CE1 4.47Å; I90-F299 HydrophobicContact CD1-CG 3.81Å; I90-F299 HydrophobicContact CG1-CB 3.99Å; I90-F299 HydrophobicContact CG1-CD2 4.17Å; I90-F299 HydrophobicContact CG1-CG 3.99Å; L106-F299 CarbonylContact C-O 3.5Å; L106-F299 WeakPolarHBondContact CA-O 3.22Å; L106-F299 HydrophobicContact CB-CB 3.98Å; L106-F299 WeakPolarHBondContact CB-O 3.28Å; L106-F299 HydrophobicContact CD1-CB 4.27Å; L106-F299 HydrophobicContact CD2-CB 4.15Å; L106-F299 HydrophobicContact CG-CB 4.34Å; A107-F299 PolarHBondContact N-O 3.06Å; A112-F299 HydrophobicContact CB-CE1 4.05Å; E295-F299 WeakPolarHBondContact O-CD2 3.44Å; E295-F299 PolarHBondContact O-N 3.29Å; F297-F299 PolarHBondContact O-N 3.05Å; F297-F299 VanDerWaalsContact O-N 3.15Å; F299-S301 PolarHBondContact O-N 3.18Å
300	Y	98.7	Very high	97.7	Very high	4 Å²	4	29.8 Å²	29.8	2%	0.016	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.1	140.2	179.2	168.8	-87.9	0	0	0	111.9	F104 S296 F297 G303 Y305 W344 G345 F349 I350 K351	F104-Y300 HydrophobicContact CB-CD2 4.34Å; F104-Y300 HydrophobicContact CB-CE2 4.16Å; F104-Y300 AromaticContact CD2-CD2 3.94Å; F104-Y300 HydrophobicContact CD2-CD2 3.94Å; F104-Y300 HydrophobicContact CG-CD2 4.46Å; S296-Y300 PolarHBondContact O-N 2.88Å; F297-Y300 PolarHBondContact O-N 2.8Å; Y300-G303 PolarHBondContact OH-O 2.92Å; Y300-Y305 HydrophobicContact CD2-CD2 4.06Å; Y300-Y305 HydrophobicContact CD2-CG 4.49Å; Y300-W344 HydrophobicContact CD1-CH2 4.1Å; Y300-W344 HydrophobicContact CD1-CZ2 4.27Å; Y300-W344 HydrophobicContact CD1-CZ3 4.49Å; Y300-G345 VanDerWaalsContact O-CA 3.3Å; Y300-G345 WeakPolarHBondContact O-CA 3.26Å; Y300-G345 PolarHBondContact O-N 3.1Å; Y300-F349 WeakPolarHBondContact CE1-O 3.38Å; Y300-I350 HydrophobicContact CD1-CB 3.86Å; Y300-I350 HydrophobicContact CD1-CD1 3.74Å; Y300-I350 HydrophobicContact CD1-CG1 3.68Å; Y300-I350 HydrophobicContact CD2-CD1 3.83Å; Y300-I350 HydrophobicContact CD2-CG1 3.96Å; Y300-I350 HydrophobicContact CE1-CB 3.66Å; Y300-I350 HydrophobicContact CE1-CD1 4.19Å; Y300-I350 HydrophobicContact CE1-CG1 3.6Å; Y300-I350 HydrophobicContact CE2-CD1 4.23Å; Y300-I350 HydrophobicContact CE2-CG1 3.83Å; Y300-I350 HydrophobicContact CG-CD1 3.57Å; Y300-I350 HydrophobicContact CG-CG1 3.89Å; Y300-K351 PolarHBondContact OH-N 2.73Å
301	S	98.4	Very high	97.5	Very high	34 Å²	34	33.4 Å²	33.4	24%	0.238	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	-56.7	179.5	-178	0	0	0	0	113.1	K105 F299 G345 D346	K105-S301 PolarHBondContact O-N 2.9Å; F299-S301 PolarHBondContact O-N 3.18Å; S301-G345 CarbonylContact O-C 3.56Å; S301-D346 PolarHBondContact O-N 3.11Å
302	E	97.5	Very high	97.4	Very high	87 Å²	87	34.7 Å²	34.7	41%	0.407	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	165.1	-176.7	62.3	171.6	-172.8	0	0	112.5	F104 K105	F104-E302 CarbonylContact C-O 3.56Å; F104-E302 WeakPolarHBondContact CA-O 3.37Å; F104-E302 VanDerWaalsContact CB-O 3.23Å; F104-E302 WeakPolarHBondContact CB-O 3.3Å; K105-E302 HydrophobicContact CB-CG 4.04Å; K105-E302 HydrophobicContact CD-CG 4.18Å; K105-E302 VanDerWaalsContact CD-OE1 3.24Å; K105-E302 WeakPolarHBondContact CD-OE1 3.14Å; K105-E302 WeakPolarHBondContact CE-OE1 3.44Å; K105-E302 HydrophobicContact CG-CG 4.29Å; K105-E302 PolarHBondContact N-O 3Å; K105-E302 IonicContact NZ-OE1 3.33Å; K105-E302 PolarHBondContact NZ-OE1 2.86Å
303	G	97.9	Very high	97.1	Very high	24 Å²	24	39.9 Å²	39.9	25%	0.247	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	93.7	-168.8	-174.2	0	0	0	0	0	112.5	S103 Y300 K351	S103-G303 WeakPolarHBondContact O-CA 3.32Å; Y300-G303 PolarHBondContact OH-O 2.92Å; G303-K351 WeakPolarHBondContact O-CB 3.5Å
304	V	98.6	Very high	97.1	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	118.5	175.3	-177	0	0	0	0	109.1	S103 F104 N306 D327 E331 Y333 K351 L353	S103-V304 CarbonylContact C-O 3.5Å; S103-V304 PolarHBondContact O-N 2.86Å; S103-V304 PolarHBondContact OG-O 3.46Å; S103-V304 VanDerWaalsContact OG-O 3.09Å; F104-V304 WeakPolarHBondContact CB-O 3.39Å; F104-V304 WeakPolarHBondContact CD1-O 3.47Å; V304-N306 PolarHBondContact O-N 2.92Å; V304-D327 HydrophobicContact CG2-CB 4.15Å; V304-E331 HydrophobicContact CB-CG 4.29Å; V304-E331 HydrophobicContact CG1-CG 4.07Å; V304-E331 HydrophobicContact CG2-CB 4.42Å; V304-E331 HydrophobicContact CG2-CG 4.44Å; V304-Y333 HydrophobicContact CG2-CD1 4.21Å; V304-Y333 HydrophobicContact CG2-CG 4.5Å; V304-K351 HydrophobicContact CG2-CB 4.33Å; V304-K351 HydrophobicContact CG2-CD 4.43Å; V304-L353 HydrophobicContact CG1-CB 4.22Å; V304-L353 HydrophobicContact CG1-CD1 4.08Å
305	Y	98.7	Very high	97.1	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	118.1	-179.9	-179.4	-97.7	0	0	0	111	F104 S296 F297 Y300 E307 I350 K351 M352 L353	F104-Y305 AromaticContact CD2-CD2 3.9Å; F104-Y305 HydrophobicContact CD2-CD2 3.9Å; F104-Y305 HydrophobicContact CE1-CD2 4.21Å; F104-Y305 AromaticContact CE2-CD2 3.49Å; F104-Y305 HydrophobicContact CE2-CD2 3.49Å; F104-Y305 VanDerWaalsContact CE2-CD2 3.49Å; F104-Y305 AromaticContact CE2-CE2 3.75Å; F104-Y305 HydrophobicContact CE2-CE2 3.75Å; F104-Y305 HydrophobicContact CG-CD2 4.38Å; F104-Y305 AromaticContact CZ-CD2 3.67Å; F104-Y305 HydrophobicContact CZ-CD2 3.67Å; F104-Y305 AromaticContact CZ-CE2 3.77Å; F104-Y305 HydrophobicContact CZ-CE2 3.77Å; S296-Y305 PolarHBondContact OG-OH 3.01Å; F297-Y305 HydrophobicContact CB-CE2 4.23Å; F297-Y305 HydrophobicContact CD2-CD1 4.34Å; F297-Y305 AromaticContact CD2-CE1 3.84Å; F297-Y305 HydrophobicContact CD2-CE1 3.84Å; F297-Y305 HydrophobicContact CD2-CE2 4.24Å; F297-Y305 AromaticContact CD2-CZ 3.78Å; Y300-Y305 HydrophobicContact CD2-CD2 4.06Å; Y300-Y305 HydrophobicContact CD2-CG 4.49Å; Y305-E307 HydrophobicContact CE1-CB 3.81Å; Y305-E307 HydrophobicContact CE2-CB 4.13Å; Y305-E307 VanDerWaalsContact CZ-CB 3.46Å; Y305-E307 WeakPolarHBondContact OH-CB 3.18Å; Y305-I350 HydrophobicContact CD1-CD1 4.31Å; Y305-I350 HydrophobicContact CD2-CD1 4.18Å; Y305-I350 HydrophobicContact CG-CD1 3.81Å; Y305-K351 WeakPolarHBondContact CB-O 3.44Å; Y305-K351 PolarHBondContact N-O 2.83Å; Y305-M352 HydrophobicContact CD1-CE 4.28Å; Y305-M352 HydrophobicContact CD1-CG 4.49Å; Y305-L353 WeakPolarHBondContact O-CB 3.02Å; Y305-L353 PolarHBondContact O-N 2.77Å
306	N	97.6	Very high	97.2	Very high	48 Å²	48	38.2 Å²	38.2	26%	0.257	21%	0.212	S	C	.	.			trans	-140.9	86.3	-176.3	179.6	-2.7	0	0	0	108.4	F104 V304 P308 L353	F104-N306 WeakPolarHBondContact CE1-O 3.31Å; V304-N306 PolarHBondContact O-N 2.92Å; N306-P308 WeakPolarHBondContact O-CD 3.34Å; N306-L353 HydrophobicContact CB-CD2 4.07Å
307	E	97.6	Very high	97.2	Very high	30 Å²	30	37.8 Å²	37.8	14%	0.14	21%	0.209	C	C	.	.			trans	-99.3	105.8	176.8	175.6	51.6	-101.4	0	0	109.9	H294 S296 Y305 Q309 C310 Q359	H294-E307 HydrophobicContact CB-CG 4.11Å; S296-E307 WeakPolarHBondContact CB-OE2 3.47Å; S296-E307 PolarHBondContact OG-OE2 2.71Å; Y305-E307 HydrophobicContact CE1-CB 3.81Å; Y305-E307 HydrophobicContact CE2-CB 4.13Å; Y305-E307 VanDerWaalsContact CZ-CB 3.46Å; Y305-E307 WeakPolarHBondContact OH-CB 3.18Å; E307-Q309 HydrophobicContact CG-CB 4.43Å; E307-Q309 PolarHBondContact O-N 2.96Å; E307-Q309 VanDerWaalsContact O-N 3.07Å; E307-Q309 PolarHBondContact OE1-N 3Å; E307-Q309 VanDerWaalsContact OE1-N 3.15Å; E307-C310 WeakPolarHBondContact O-CB 3.49Å; E307-C310 PolarHBondContact O-N 2.85Å; E307-C310 VanDerWaalsContact O-N 3.11Å; E307-Q359 PolarHBondContact O-NE2 3.27Å
308	P	96.1	Very high	97.2	Very high	106 Å²	106	37.8 Å²	37.8	69%	0.688	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-14.1	-176.7	-24.2	35.8	0	0	0	114.9	N306	N306-P308 WeakPolarHBondContact O-CD 3.34Å
309	Q	96.4	Very high	97.3	Very high	145 Å²	145	37.9 Å²	37.9	68%	0.678	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.4	-3.2	177.4	-60.7	-167.9	-26.8	0	0	114.3	H294 E307 D311	H294-Q309 WeakPolarHBondContact CE1-CB 3.4Å; H294-Q309 PolarHBondContact CE1-O 2.97Å; H294-Q309 PolarHBondContact NE2-O 2.85Å; H294-Q309 VanDerWaalsContact NE2-O 3.17Å; E307-Q309 HydrophobicContact CG-CB 4.43Å; E307-Q309 PolarHBondContact O-N 2.96Å; E307-Q309 VanDerWaalsContact O-N 3.07Å; E307-Q309 PolarHBondContact OE1-N 3Å; E307-Q309 VanDerWaalsContact OE1-N 3.15Å; Q309-D311 PolarHBondContact O-N 3.5Å
310	C	96.9	Very high	97.3	Very high	19 Å²	19	38.1 Å²	38.1	13%	0.128	21%	0.211	C	C	.	.			trans	-57.2	129.2	175.5	-97.8	0	0	0	0	112.8	D291 H294 E307 C360	D291-C310 WeakPolarHBondContact OD2-CA 3.34Å; H294-C310 WeakPolarHBondContact NE2-CA 3.46Å; E307-C310 WeakPolarHBondContact O-CB 3.49Å; E307-C310 PolarHBondContact O-N 2.85Å; E307-C310 VanDerWaalsContact O-N 3.11Å; C310-C360 HydrophobicContact CB-CB 3.75Å; C310-C360 WeakPolarHBondContact CB-SG 3.4Å; C310-C360 WeakPolarHBondContact SG-CB 3.41Å; C310-C360 CovalentContact SG-SG 2.04Å; C310-C360 PolarHBondContact SG-SG 3.35Å
311	D	95.7	Very high	97.3	Very high	77 Å²	77	37.9 Å²	37.9	41%	0.412	21%	0.21	S	C	.	.			trans	-106.4	113.4	177.3	177.6	9.5	0	0	0	111.1	D291 Q309 Q313 N314	D291-D311 PolarHBondContact OD2-N 3.22Å; Q309-D311 PolarHBondContact O-N 3.5Å; D311-Q313 PolarHBondContact O-N 3.16Å; D311-Q313 WeakPolarHBondContact OD1-CB 3.45Å; D311-Q313 PolarHBondContact OD1-N 3.09Å; D311-N314 HydrophobicContact CB-CB 3.92Å; D311-N314 PolarHBondContact O-N 3.45Å
312	A	94.9	Very high	97.3	Very high	27 Å²	27	36.3 Å²	36.3	22%	0.223	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-4.1	176.6	0	0	0	0	0	114.7	S364	A312-S364 PolarHBondContact O-OG 3.37Å
313	Q	93.5	Very high	97.4	Very high	108 Å²	108	32.1 Å²	32.1	51%	0.505	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.2	-6.9	172.8	-61.8	-58.4	-52.7	0	0	114.6	Y128 D311	Y128-Q313 WeakPolarHBondContact CD1-O 3.24Å; Y128-Q313 VanDerWaalsContact CE1-O 3.29Å; Y128-Q313 WeakPolarHBondContact CE1-O 3.45Å; D311-Q313 PolarHBondContact O-N 3.16Å; D311-Q313 WeakPolarHBondContact OD1-CB 3.45Å; D311-Q313 PolarHBondContact OD1-N 3.09Å
314	N	94.5	Very high	97.4	Very high	62 Å²	62	31.4 Å²	31.4	33%	0.332	17%	0.169	S	C	.	.			trans	-113.3	51.5	-177.7	-175.5	53.3	0	0	0	111.7	S293 D311 D316	S293-N314 PolarHBondContact OG-ND2 3.06Å; D311-N314 HydrophobicContact CB-CB 3.92Å; D311-N314 PolarHBondContact O-N 3.45Å; N314-D316 PolarHBondContact O-N 3.12Å
315	L	97.7	Very high	97.4	Very high	5 Å²	5	31.4 Å²	31.4	3%	0.026	17%	0.169	C	C	.	.			trans	-72.1	126	178.7	-36.5	178.2	0	0	0	109.6	F126 Y128 A289 I290 A365	F126-L315 HydrophobicContact CD1-CB 4.05Å; F126-L315 HydrophobicContact CE1-CB 4.05Å; F126-L315 HydrophobicContact CE1-CD1 4.4Å; Y128-L315 WeakPolarHBondContact CB-O 3.45Å; Y128-L315 HydrophobicContact CD1-CB 4.24Å; Y128-L315 HydrophobicContact CD1-CD1 4.29Å; Y128-L315 HydrophobicContact CD1-CG 3.93Å; Y128-L315 HydrophobicContact CD2-CB 4.41Å; Y128-L315 HydrophobicContact CD2-CD1 3.75Å; Y128-L315 HydrophobicContact CD2-CG 4.21Å; Y128-L315 HydrophobicContact CE1-CD1 4.16Å; Y128-L315 HydrophobicContact CE1-CG 4.03Å; Y128-L315 HydrophobicContact CE2-CD1 3.59Å; Y128-L315 HydrophobicContact CE2-CG 4.29Å; Y128-L315 HydrophobicContact CG-CB 4.02Å; Y128-L315 HydrophobicContact CG-CD1 4.09Å; Y128-L315 HydrophobicContact CG-CG 4.02Å; A289-L315 HydrophobicContact CB-CB 3.96Å; A289-L315 HydrophobicContact CB-CD1 3.93Å; I290-L315 WeakPolarHBondContact O-CA 3.39Å; L315-A365 HydrophobicContact CD1-CB 4.03Å
316	D	97.7	Very high	97.4	Very high	16 Å²	16	34.8 Å²	34.8	9%	0.086	19%	0.19	C	C	.	.			trans	-132.3	-9.8	-178.1	67.9	-4.5	0	0	0	114.2	R120 N124 G125 F126 I290 A292 S293 N314	R120-D316 IonicContact CZ-OD2 2.72Å; R120-D316 IonicContact NE-OD2 2.9Å; R120-D316 PolarHBondContact NE-OD2 2.9Å; R120-D316 IonicContact NH2-OD2 2.6Å; R120-D316 PolarHBondContact NH2-OD2 2.64Å; N124-D316 CarbonylContact C-O 3.57Å; N124-D316 WeakPolarHBondContact CA-O 3.33Å; N124-D316 HydrophobicContact CB-CB 4.07Å; N124-D316 WeakPolarHBondContact CB-O 3.36Å; N124-D316 PolarHBondContact ND2-OD1 2.91Å; N124-D316 VanDerWaalsContact ND2-OD1 3.1Å; N124-D316 PolarHBondContact ND2-OD2 2.9Å; G125-D316 PolarHBondContact N-O 3.44Å; G125-D316 VanDerWaalsContact N-O 3.15Å; F126-D316 PolarHBondContact N-O 3.49Å; I290-D316 PolarHBondContact O-N 3.01Å; A292-D316 PolarHBondContact N-OD1 2.76Å; S293-D316 WeakPolarHBondContact CB-OD2 3.3Å; N314-D316 PolarHBondContact O-N 3.12Å
317	H	98.6	Very high	97.3	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	138.9	-179.7	-171.5	39	0	0	0	113.5	C178 A289 I290 A292 V319 N338 W340	C178-H317 WeakPolarHBondContact CB-CE1 3.31Å; C178-H317 WeakPolarHBondContact CB-ND1 3.17Å; C178-H317 PolarHBondContact SG-ND1 3.15Å; A289-H317 CarbonylContact C-O 3.5Å; A289-H317 VanDerWaalsContact CA-O 3.29Å; A289-H317 WeakPolarHBondContact CA-O 3.38Å; I290-H317 HydrophobicContact CG1-CB 4.22Å; I290-H317 PolarHBondContact N-O 2.92Å; I290-H317 PolarHBondContact O-N 2.84Å; I290-H317 VanDerWaalsContact O-N 3.12Å; A292-H317 HydrophobicContact CB-CB 3.46Å; A292-H317 VanDerWaalsContact CB-CB 3.46Å; H317-V319 WeakPolarHBondContact CD2-CG1 3.39Å; H317-V319 WeakPolarHBondContact NE2-CG1 3.22Å; H317-N338 PolarHBondContact NE2-OD1 3.4Å; H317-W340 AromaticContact CD2-CZ2 3.55Å; H317-W340 AromaticContact CE1-CE2 3.67Å; H317-W340 AromaticContact CE1-CZ2 3.64Å; H317-W340 AromaticContact CE1-NE1 3.41Å; H317-W340 PolarHBondContact CE1-NE1 3.05Å; H317-W340 AromaticContact NE2-CE2 3.44Å; H317-W340 AromaticContact NE2-CZ2 3.3Å; H317-W340 VanDerWaalsContact NE2-CZ2 3.3Å; H317-W340 WeakPolarHBondContact NE2-CZ2 3.19Å; H317-W340 AromaticContact NE2-NE1 3.6Å
318	G	98.6	Very high	97.2	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	123.5	179.8	0	0	0	0	0	111	C178	C178-G318 PolarHBondContact SG-N 2.82Å
319	V	98.9	Very high	97	Very high	3 Å²	3	42 Å²	42	2%	0.018	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	176.3	-175.6	-62.7	0	0	0	0	110.9	S182 V288 I290 H317 V336	S182-V319 PolarHBondContact OG-O 2.71Å; V288-V319 HydrophobicContact CG2-CG2 3.48Å; V288-V319 VanDerWaalsContact CG2-CG2 3.48Å; V288-V319 PolarHBondContact N-O 2.56Å; V288-V319 PolarHBondContact O-N 3.49Å; V288-V319 VanDerWaalsContact O-O 3.08Å; I290-V319 HydrophobicContact CD1-CG1 4.02Å; I290-V319 HydrophobicContact CD1-CG2 3.92Å; I290-V319 HydrophobicContact CG1-CG1 4.38Å; I290-V319 HydrophobicContact CG1-CG2 3.98Å; I290-V319 HydrophobicContact CG2-CG2 4.13Å; H317-V319 WeakPolarHBondContact CD2-CG1 3.39Å; H317-V319 WeakPolarHBondContact NE2-CG1 3.22Å; V319-V336 HydrophobicContact CB-CG1 3.62Å; V319-V336 HydrophobicContact CG1-CG1 4.42Å; V319-V336 HydrophobicContact CG2-CG1 3.44Å; V319-V336 VanDerWaalsContact CG2-CG1 3.44Å
320	L	98.9	Very high	96.9	Very high	5 Å²	5	37.7 Å²	37.7	3%	0.026	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	116.1	-176.5	-177.9	78.7	0	0	0	111.2	A186 P285 V322 V336 K337	A186-L320 HydrophobicContact CB-CD1 3.73Å; P285-L320 HydrophobicContact CB-CD1 3.84Å; P285-L320 HydrophobicContact CB-CD2 3.98Å; P285-L320 HydrophobicContact CB-CG 3.98Å; L320-V322 HydrophobicContact CD2-CG1 3.56Å; L320-V322 HydrophobicContact CG-CG1 3.87Å; L320-V322 PolarHBondContact O-N 3.24Å; L320-V336 CarbonylContact O-C 3.58Å; L320-V336 WeakPolarHBondContact O-CA 3.3Å; L320-K337 HydrophobicContact CB-CB 4.25Å; L320-K337 HydrophobicContact CD2-CB 4.49Å; L320-K337 HydrophobicContact CD2-CD 4.17Å; L320-K337 PolarHBondContact N-O 2.86Å; L320-K337 PolarHBondContact O-N 3.02Å
321	V	98.9	Very high	96.9	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	114.6	169.4	179	0	0	0	0	108.3	M276 V280 P285 V286 V288 G323 W334 V336 I362	M276-V321 HydrophobicContact CE-CG2 4.49Å; V280-V321 HydrophobicContact CG1-CG1 4.37Å; V280-V321 HydrophobicContact CG2-CB 4.35Å; V280-V321 HydrophobicContact CG2-CG1 3.69Å; P285-V321 CarbonylContact C-O 3.18Å; P285-V321 VanDerWaalsContact CA-O 3.22Å; P285-V321 WeakPolarHBondContact CA-O 3.35Å; V286-V321 PolarHBondContact N-O 3.14Å; V286-V321 PolarHBondContact O-N 2.89Å; V288-V321 HydrophobicContact CB-CG2 4.37Å; V288-V321 HydrophobicContact CG1-CB 4.47Å; V288-V321 HydrophobicContact CG1-CG2 3.62Å; V288-V321 HydrophobicContact CG2-CG2 3.75Å; V321-G323 WeakPolarHBondContact CG1-O 3.23Å; V321-W334 HydrophobicContact CG1-CD2 4.43Å; V321-W334 HydrophobicContact CG1-CE3 3.62Å; V321-W334 HydrophobicContact CG1-CZ3 4.24Å; V321-V336 HydrophobicContact CG2-CG2 4.29Å; V321-I362 HydrophobicContact CG2-CD1 4.26Å; V321-I362 HydrophobicContact CG2-CG1 4.37Å
322	V	98.9	Very high	97	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	4.5	179.4	-59.9	0	0	0	0	112.9	W160 R161 V166 P285 L320 L335 K337 F349	W160-V322 WeakPolarHBondContact CB-O 3.27Å; W160-V322 VanDerWaalsContact CD1-O 3.24Å; W160-V322 PolarHBondContact N-O 2.95Å; R161-V322 HydrophobicContact CG-CG2 4.38Å; V166-V322 HydrophobicContact CG1-CG1 3.98Å; V166-V322 HydrophobicContact CG2-CB 3.88Å; V166-V322 HydrophobicContact CG2-CG1 3.74Å; P285-V322 HydrophobicContact CB-CG1 4.33Å; L320-V322 HydrophobicContact CD2-CG1 3.56Å; L320-V322 HydrophobicContact CG-CG1 3.87Å; L320-V322 PolarHBondContact O-N 3.24Å; V322-L335 HydrophobicContact CG2-CB 4.41Å; V322-L335 HydrophobicContact CG2-CD2 3.89Å; V322-L335 HydrophobicContact CG2-CG 3.75Å; V322-L335 WeakPolarHBondContact CG2-O 3.14Å; V322-L335 PolarHBondContact N-O 2.91Å; V322-K337 HydrophobicContact CG1-CB 3.99Å; V322-F349 HydrophobicContact CG2-CD1 4.23Å; V322-F349 HydrophobicContact CG2-CE1 3.91Å
323	G	98.9	Very high	97.2	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	166.9	-173.4	-175.9	0	0	0	0	0	113.9	V158 V321 L335	V158-G323 CarbonylContact O-C 3.52Å; V158-G323 WeakPolarHBondContact O-CA 3.46Å; V321-G323 WeakPolarHBondContact CG1-O 3.23Å; G323-L335 PolarHBondContact N-O 3.21Å; G323-L335 PolarHBondContact O-N 2.81Å
324	F	98.8	Very high	97.4	Very high	9 Å²	9	32.4 Å²	32.4	4%	0.039	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.7	163	174.6	58.7	-99.8	0	0	0	110.5	P155 S157 V158 A277 V280 A281 Y333 W334	P155-F324 WeakPolarHBondContact O-CE2 3.37Å; S157-F324 CarbonylContact C-O 3.57Å; S157-F324 WeakPolarHBondContact CA-O 3.27Å; S157-F324 WeakPolarHBondContact CB-O 3.22Å; V158-F324 HydrophobicContact CB-CD1 4.13Å; V158-F324 HydrophobicContact CB-CE1 3.97Å; V158-F324 HydrophobicContact CB-CZ 4.28Å; V158-F324 HydrophobicContact CG2-CD1 4.16Å; V158-F324 HydrophobicContact CG2-CE1 3.51Å; V158-F324 HydrophobicContact CG2-CE2 4.09Å; V158-F324 HydrophobicContact CG2-CZ 3.47Å; V158-F324 VanDerWaalsContact CG2-CZ 3.47Å; V158-F324 PolarHBondContact N-O 3.22Å; V158-F324 PolarHBondContact O-N 2.98Å; V158-F324 VanDerWaalsContact O-O 3.14Å; A277-F324 HydrophobicContact CB-CE1 4.13Å; A277-F324 HydrophobicContact CB-CZ 4.38Å; A277-F324 WeakPolarHBondContact O-CE1 3.49Å; V280-F324 HydrophobicContact CB-CD1 4.23Å; V280-F324 HydrophobicContact CB-CE1 4.25Å; V280-F324 HydrophobicContact CG1-CD1 3.81Å; V280-F324 HydrophobicContact CG1-CE1 4.06Å; A281-F324 HydrophobicContact CB-CE1 4.19Å; A281-F324 HydrophobicContact CB-CZ 4.21Å; F324-Y333 CarbonylContact C-O 3.49Å; F324-Y333 VanDerWaalsContact CA-O 3.22Å; F324-Y333 WeakPolarHBondContact CA-O 3.44Å; F324-Y333 VanDerWaalsContact CB-O 3.27Å; F324-Y333 WeakPolarHBondContact CB-O 3.28Å; F324-W334 HydrophobicContact CB-CE3 3.85Å; F324-W334 HydrophobicContact CB-CZ3 4.02Å; F324-W334 HydrophobicContact CD1-CE3 4.48Å; F324-W334 AromaticContact CD1-CZ3 3.9Å; F324-W334 HydrophobicContact CD1-CZ3 3.9Å; F324-W334 HydrophobicContact CG-CZ3 4.29Å
325	G	98.6	Very high	97.6	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.6	-165.8	172.7	0	0	0	0	0	111.7	Y333 R354	G325-Y333 PolarHBondContact N-O 2.91Å; G325-Y333 PolarHBondContact O-N 3.33Å; G325-R354 PolarHBondContact O-NH2 3.37Å
326	T	98.2	Very high	97.7	Very high	70 Å²	70	29.6 Å²	29.6	43%	0.429	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	140.5	170.8	-44.1	0	0	0	0	106.9	G330 E331 D332 Y333	T326-G330 WeakPolarHBondContact CG2-O 3.37Å; T326-E331 WeakPolarHBondContact CA-O 3.34Å; T326-D332 PolarHBondContact OG1-OD1 2.93Å; T326-Y333 VanDerWaalsContact C-CE1 3.45Å
327	D	95.8	Very high	97.8	Very high	39 Å²	39	29.7 Å²	29.7	21%	0.209	17%	0.17	C	C	.	.			trans	-86.8	-177.4	179.5	89.1	-18.3	0	0	0	112.6	V304 S329 G330 E331 Y333	V304-D327 HydrophobicContact CG2-CB 4.15Å; D327-S329 PolarHBondContact O-N 2.9Å; D327-S329 WeakPolarHBondContact OD1-CA 3.03Å; D327-S329 WeakPolarHBondContact OD1-CB 3.2Å; D327-S329 PolarHBondContact OD1-N 3.02Å; D327-S329 PolarHBondContact OD1-OG 2.91Å; D327-S329 PolarHBondContact OD2-OG 3.34Å; D327-G330 PolarHBondContact O-N 3.33Å; D327-G330 VanDerWaalsContact O-N 3.15Å; D327-G330 PolarHBondContact OD1-N 2.78Å; D327-G330 VanDerWaalsContact OD1-N 3.11Å; D327-E331 PolarHBondContact N-O 3Å; D327-E331 PolarHBondContact OD1-N 2.67Å; D327-Y333 HydrophobicContact CB-CD1 4.12Å; D327-Y333 HydrophobicContact CB-CE1 4.02Å
328	E	94.4	Very high	97.8	Very high	207 Å²	207	30 Å²	30	97%	0.967	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68	-20	-178.9	-63.6	178.8	-169.5	0	0	113.4
329	S	91.9	Very high	97.8	Very high	91 Å²	91	30.2 Å²	30.2	64%	0.636	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-11.4	174.8	79.4	0	0	0	0	113.2	D327	D327-S329 PolarHBondContact O-N 2.9Å; D327-S329 WeakPolarHBondContact OD1-CA 3.03Å; D327-S329 WeakPolarHBondContact OD1-CB 3.2Å; D327-S329 PolarHBondContact OD1-N 3.02Å; D327-S329 PolarHBondContact OD1-OG 2.91Å; D327-S329 PolarHBondContact OD2-OG 3.34Å
330	G	95.3	Very high	97.7	Very high	54 Å²	54	30 Å²	30	56%	0.557	17%	0.172	S	C	*	.	S	Bend	trans	91.5	10.2	-173.1	0	0	0	0	0	113.8	T326 D327	T326-G330 WeakPolarHBondContact CG2-O 3.37Å; D327-G330 PolarHBondContact O-N 3.33Å; D327-G330 VanDerWaalsContact O-N 3.15Å; D327-G330 PolarHBondContact OD1-N 2.78Å; D327-G330 VanDerWaalsContact OD1-N 3.11Å
331	E	95.8	Very high	97.7	Very high	39 Å²	39	30.1 Å²	30.1	18%	0.182	17%	0.174	C	C	.	.			trans	-85	123.6	179.3	-168.9	150.1	89.8	0	0	110.6	S103 V304 T326 D327 L353	S103-E331 VanDerWaalsContact CB-OE1 3.24Å; S103-E331 WeakPolarHBondContact CB-OE1 3.42Å; S103-E331 PolarHBondContact OG-OE1 3.28Å; V304-E331 HydrophobicContact CB-CG 4.29Å; V304-E331 HydrophobicContact CG1-CG 4.07Å; V304-E331 HydrophobicContact CG2-CB 4.42Å; V304-E331 HydrophobicContact CG2-CG 4.44Å; T326-E331 WeakPolarHBondContact CA-O 3.34Å; D327-E331 PolarHBondContact N-O 3Å; D327-E331 PolarHBondContact OD1-N 2.67Å; E331-L353 HydrophobicContact CG-CD1 3.36Å
332	D	98.3	Very high	97.6	Very high	43 Å²	43	34.4 Å²	34.4	23%	0.23	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	134	178.4	-99	-3.6	0	0	0	110.2	T326 R354 N355	T326-D332 PolarHBondContact OG1-OD1 2.93Å; D332-R354 HydrophobicContact CB-CB 4.25Å; D332-R354 VanDerWaalsContact CG-CZ 3.41Å; D332-R354 PolarHBondContact O-N 3.5Å; D332-R354 IonicContact OD1-CZ 2.77Å; D332-R354 IonicContact OD1-NH1 3.25Å; D332-R354 IonicContact OD1-NH2 3.54Å; D332-R354 PolarHBondContact OD1-NH2 2.91Å; D332-R354 IonicContact OD2-CZ 2.67Å; D332-R354 IonicContact OD2-NH1 2.96Å; D332-R354 PolarHBondContact OD2-NH1 3.35Å; D332-R354 IonicContact OD2-NH2 2.64Å; D332-R354 PolarHBondContact OD2-NH2 3.45Å; D332-N355 PolarHBondContact OD2-ND2 2.8Å
333	Y	98.8	Very high	97.4	Very high	38 Å²	38	37.9 Å²	37.9	15%	0.149	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	154.5	179.3	66.4	-94.6	0	0	0	114.4	V304 F324 G325 T326 D327 L335 K351 M352 R354	V304-Y333 HydrophobicContact CG2-CD1 4.21Å; V304-Y333 HydrophobicContact CG2-CG 4.5Å; F324-Y333 CarbonylContact C-O 3.49Å; F324-Y333 VanDerWaalsContact CA-O 3.22Å; F324-Y333 WeakPolarHBondContact CA-O 3.44Å; F324-Y333 VanDerWaalsContact CB-O 3.27Å; F324-Y333 WeakPolarHBondContact CB-O 3.28Å; G325-Y333 PolarHBondContact N-O 2.91Å; G325-Y333 PolarHBondContact O-N 3.33Å; T326-Y333 VanDerWaalsContact C-CE1 3.45Å; D327-Y333 HydrophobicContact CB-CD1 4.12Å; D327-Y333 HydrophobicContact CB-CE1 4.02Å; Y333-L335 HydrophobicContact CD2-CB 4.49Å; Y333-L335 HydrophobicContact CE2-CB 4.27Å; Y333-K351 HydrophobicContact CD1-CD 4.11Å; Y333-K351 HydrophobicContact CD2-CB 3.91Å; Y333-K351 HydrophobicContact CD2-CD 4.03Å; Y333-K351 HydrophobicContact CD2-CG 3.68Å; Y333-K351 HydrophobicContact CE1-CD 4.1Å; Y333-K351 HydrophobicContact CE2-CD 4.04Å; Y333-K351 HydrophobicContact CE2-CG 3.93Å; Y333-K351 HydrophobicContact CG-CB 3.94Å; Y333-K351 HydrophobicContact CG-CD 4.09Å; Y333-K351 HydrophobicContact CG-CG 4.05Å; Y333-M352 CarbonylContact C-O 3.26Å; Y333-M352 WeakPolarHBondContact CA-O 3.39Å; Y333-M352 WeakPolarHBondContact CB-O 3.47Å; Y333-R354 PolarHBondContact O-NE 2.86Å
334	W	98.9	Very high	97.3	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	134.7	158	-64.8	110.1	0	0	0	109.3	E273 M276 A277 V280 V321 F324 V336 K351 M352 R354 I362	E273-W334 HydrophobicContact CB-CZ2 4.11Å; E273-W334 HydrophobicContact CG-CZ2 4.45Å; E273-W334 WeakPolarHBondContact O-CH2 3.19Å; E273-W334 PolarHBondContact OE1-NE1 3.05Å; M276-W334 HydrophobicContact CB-CH2 4.04Å; M276-W334 HydrophobicContact CB-CZ2 4.37Å; M276-W334 HydrophobicContact CE-CD2 3.72Å; M276-W334 HydrophobicContact CE-CE3 4.08Å; M276-W334 HydrophobicContact CE-CG 4.42Å; M276-W334 HydrophobicContact CE-CH2 3.72Å; M276-W334 HydrophobicContact CE-CZ2 3.33Å; M276-W334 HydrophobicContact CE-CZ3 4.08Å; M276-W334 HydrophobicContact CG-CH2 4.14Å; M276-W334 HydrophobicContact CG-CZ3 4.44Å; A277-W334 HydrophobicContact CB-CH2 3.79Å; A277-W334 HydrophobicContact CB-CZ3 4.35Å; V280-W334 HydrophobicContact CG2-CZ3 4.32Å; V321-W334 HydrophobicContact CG1-CD2 4.43Å; V321-W334 HydrophobicContact CG1-CE3 3.62Å; V321-W334 HydrophobicContact CG1-CZ3 4.24Å; F324-W334 HydrophobicContact CB-CE3 3.85Å; F324-W334 HydrophobicContact CB-CZ3 4.02Å; F324-W334 HydrophobicContact CD1-CE3 4.48Å; F324-W334 AromaticContact CD1-CZ3 3.9Å; F324-W334 HydrophobicContact CD1-CZ3 3.9Å; F324-W334 HydrophobicContact CG-CZ3 4.29Å; W334-V336 HydrophobicContact CB-CG2 3.99Å; W334-K351 CarbonylContact O-C 3.2Å; W334-K351 VanDerWaalsContact O-CA 3.29Å; W334-K351 WeakPolarHBondContact O-CA 3.45Å; W334-M352 PolarHBondContact N-O 3.39Å; W334-M352 PolarHBondContact O-N 3.2Å; W334-R354 HydrophobicContact CD2-CB 4.27Å; W334-R354 HydrophobicContact CD2-CG 4.04Å; W334-R354 VanDerWaalsContact CE2-CG 3.42Å; W334-R354 HydrophobicContact CG-CB 4.05Å; W334-R354 HydrophobicContact CG-CG 4.35Å; W334-R354 HydrophobicContact CH2-CG 4.41Å; W334-R354 VanDerWaalsContact CZ2-CD 3.42Å; W334-R354 HydrophobicContact CZ2-CG 3.64Å; W334-I362 HydrophobicContact CB-CD1 3.87Å; W334-I362 HydrophobicContact CG-CD1 3.86Å
335	L	98.9	Very high	97.3	Very high	8 Å²	8	38.2 Å²	38.2	4%	0.042	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	113.3	171.9	177.9	65.9	0	0	0	108.5	D159 V322 G323 Y333 F349	D159-L335 HydrophobicContact CB-CD2 4.23Å; V322-L335 HydrophobicContact CG2-CB 4.41Å; V322-L335 HydrophobicContact CG2-CD2 3.89Å; V322-L335 HydrophobicContact CG2-CG 3.75Å; V322-L335 WeakPolarHBondContact CG2-O 3.14Å; V322-L335 PolarHBondContact N-O 2.91Å; G323-L335 PolarHBondContact N-O 3.21Å; G323-L335 PolarHBondContact O-N 2.81Å; Y333-L335 HydrophobicContact CD2-CB 4.49Å; Y333-L335 HydrophobicContact CE2-CB 4.27Å; L335-F349 HydrophobicContact CD1-CB 4.39Å; L335-F349 HydrophobicContact CD1-CD1 4.4Å
336	V	98.9	Very high	97.3	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	129.5	-169	-176.7	0	0	0	0	110.2	V319 L320 V321 W334 F349 I350 M352 I362	V319-V336 HydrophobicContact CB-CG1 3.62Å; V319-V336 HydrophobicContact CG1-CG1 4.42Å; V319-V336 HydrophobicContact CG2-CG1 3.44Å; V319-V336 VanDerWaalsContact CG2-CG1 3.44Å; L320-V336 CarbonylContact O-C 3.58Å; L320-V336 WeakPolarHBondContact O-CA 3.3Å; V321-V336 HydrophobicContact CG2-CG2 4.29Å; W334-V336 HydrophobicContact CB-CG2 3.99Å; V336-F349 CarbonylContact O-C 3.45Å; V336-F349 VanDerWaalsContact O-CA 3.22Å; V336-F349 WeakPolarHBondContact O-CA 3.44Å; V336-F349 WeakPolarHBondContact O-CB 3.43Å; V336-F349 WeakPolarHBondContact O-CD1 2.99Å; V336-I350 HydrophobicContact CB-CG2 3.75Å; V336-I350 HydrophobicContact CG1-CG2 4.11Å; V336-I350 PolarHBondContact N-O 3.06Å; V336-I350 PolarHBondContact O-N 3.06Å; V336-M352 HydrophobicContact CG2-CB 4.38Å; V336-M352 HydrophobicContact CG2-CG 4.15Å; V336-M352 HydrophobicContact CG2-SD 4.12Å; V336-I362 HydrophobicContact CG2-CD1 3.9Å
337	K	98.9	Very high	97.3	Very high	18 Å²	18	45.3 Å²	45.3	8%	0.078	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	128.8	170.1	-176.4	-175.8	175.8	179.2	0	108.8	V166 T167 A168 V169 L320 V322 F349	V166-K337 HydrophobicContact CG1-CD 3.91Å; T167-K337 PolarHBondContact O-NZ 2.77Å; T167-K337 PolarHBondContact OG1-NZ 2.8Å; A168-K337 VanDerWaalsContact O-CE 3.32Å; A168-K337 WeakPolarHBondContact O-CE 3.3Å; A168-K337 PolarHBondContact O-NZ 3.48Å; V169-K337 HydrophobicContact CG2-CG 4.18Å; L320-K337 HydrophobicContact CB-CB 4.25Å; L320-K337 HydrophobicContact CD2-CB 4.49Å; L320-K337 HydrophobicContact CD2-CD 4.17Å; L320-K337 PolarHBondContact N-O 2.86Å; L320-K337 PolarHBondContact O-N 3.02Å; V322-K337 HydrophobicContact CG1-CB 3.99Å; K337-F349 HydrophobicContact CB-CD1 3.95Å; K337-F349 HydrophobicContact CB-CE1 3.54Å; K337-F349 HydrophobicContact CB-CZ 4.31Å; K337-F349 HydrophobicContact CD-CE1 4.49Å; K337-F349 HydrophobicContact CG-CD1 4.47Å; K337-F349 HydrophobicContact CG-CE1 3.84Å; K337-F349 HydrophobicContact CG-CZ 4.1Å
338	N	98.7	Very high	97.4	Very high	5 Å²	5	43.4 Å²	43.4	3%	0.027	25%	0.245	C	C	.	.			trans	-102.3	169.8	173.2	-159.9	-0.9	0	0	0	110.9	H317 W340 W344 G348	H317-N338 PolarHBondContact NE2-OD1 3.4Å; N338-W340 WeakPolarHBondContact ND2-CZ3 3.46Å; N338-W344 HydrophobicContact CB-CE3 3.83Å; N338-W344 HydrophobicContact CB-CH2 4.18Å; N338-W344 HydrophobicContact CB-CZ3 3.45Å; N338-W344 VanDerWaalsContact CB-CZ3 3.45Å; N338-W344 VanDerWaalsContact ND2-CE3 3.32Å; N338-W344 WeakPolarHBondContact ND2-CH2 3.18Å; N338-W344 WeakPolarHBondContact ND2-CZ2 3.32Å; N338-W344 WeakPolarHBondContact ND2-CZ3 3.26Å; N338-G348 WeakPolarHBondContact CB-O 3.32Å; N338-G348 PolarHBondContact N-O 3.22Å
339	S	98.5	Very high	97.6	Very high	5 Å²	5	34.5 Å²	34.5	4%	0.035	20%	0.204	C	C	.	.	S	Bend	trans	-112.5	27.3	-177.2	47	0	0	0	0	112.8	K170 D171 Q172	K170-S339 CarbonylContact O-C 3.57Å; K170-S339 VanDerWaalsContact O-C 3.26Å; D171-S339 CarbonylContact C-O 3.57Å; D171-S339 WeakPolarHBondContact CA-O 3.44Å; Q172-S339 PolarHBondContact N-O 3.25Å; Q172-S339 PolarHBondContact OE1-OG 3.09Å
340	W	98	Very high	97.9	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.173	C	C	.	.	B	Isolated β-bridge	trans	-110.4	20	-171.2	-66.8	-7.2	0	0	0	114	K110 Y111 F119 M123 A292 F297 H317 N338 W344	K110-W340 WeakPolarHBondContact CE-O 3.21Å; K110-W340 PolarHBondContact NZ-O 2.88Å; Y111-W340 HydrophobicContact CE2-CB 4.18Å; Y111-W340 HydrophobicContact CE2-CD2 4.5Å; Y111-W340 HydrophobicContact CE2-CE3 4.34Å; Y111-W340 HydrophobicContact CE2-CG 4.47Å; Y111-W340 WeakPolarHBondContact OH-CB 3.22Å; F119-W340 HydrophobicContact CE1-CH2 4.05Å; F119-W340 HydrophobicContact CE1-CZ3 4.41Å; F119-W340 HydrophobicContact CE2-CE3 4.5Å; F119-W340 HydrophobicContact CE2-CH2 4.4Å; F119-W340 HydrophobicContact CE2-CZ3 4.28Å; F119-W340 HydrophobicContact CZ-CE3 4.12Å; F119-W340 AromaticContact CZ-CH2 3.44Å; F119-W340 HydrophobicContact CZ-CH2 3.44Å; F119-W340 VanDerWaalsContact CZ-CH2 3.44Å; F119-W340 HydrophobicContact CZ-CZ2 4.07Å; F119-W340 AromaticContact CZ-CZ3 3.49Å; F119-W340 HydrophobicContact CZ-CZ3 3.49Å; F119-W340 VanDerWaalsContact CZ-CZ3 3.49Å; M123-W340 HydrophobicContact CB-CZ2 3.77Å; M123-W340 HydrophobicContact CE-CD2 4.33Å; M123-W340 HydrophobicContact CE-CG 3.89Å; A292-W340 HydrophobicContact CB-CH2 4.42Å; F297-W340 AromaticContact CD1-CH2 3.55Å; F297-W340 HydrophobicContact CD1-CH2 3.55Å; F297-W340 AromaticContact CD1-CZ3 3.55Å; F297-W340 HydrophobicContact CD1-CZ3 3.55Å; F297-W340 HydrophobicContact CE1-CE3 4.47Å; F297-W340 AromaticContact CE1-CH2 3.42Å; F297-W340 HydrophobicContact CE1-CH2 3.42Å; F297-W340 VanDerWaalsContact CE1-CH2 3.42Å; F297-W340 HydrophobicContact CE1-CZ2 4.42Å; F297-W340 AromaticContact CE1-CZ3 3.43Å; F297-W340 HydrophobicContact CE1-CZ3 3.43Å; F297-W340 VanDerWaalsContact CE1-CZ3 3.43Å; H317-W340 AromaticContact CD2-CZ2 3.55Å; H317-W340 AromaticContact CE1-CE2 3.67Å; H317-W340 AromaticContact CE1-CZ2 3.64Å; H317-W340 AromaticContact CE1-NE1 3.41Å; H317-W340 PolarHBondContact CE1-NE1 3.05Å; H317-W340 AromaticContact NE2-CE2 3.44Å; H317-W340 AromaticContact NE2-CZ2 3.3Å; H317-W340 VanDerWaalsContact NE2-CZ2 3.3Å; H317-W340 WeakPolarHBondContact NE2-CZ2 3.19Å; H317-W340 AromaticContact NE2-NE1 3.6Å; N338-W340 WeakPolarHBondContact ND2-CZ3 3.46Å; W340-W344 HydrophobicContact CB-CB 4.17Å; W340-W344 HydrophobicContact CB-CG 4.27Å; W340-W344 AromaticContact CE3-CD1 3.73Å; W340-W344 AromaticContact CE3-CD2 3.8Å; W340-W344 HydrophobicContact CE3-CD2 3.8Å; W340-W344 AromaticContact CE3-CE2 3.51Å; W340-W344 AromaticContact CE3-CG 3.94Å; W340-W344 HydrophobicContact CE3-CG 3.94Å; W340-W344 HydrophobicContact CE3-CZ2 4.02Å; W340-W344 AromaticContact CE3-NE1 3.48Å; W340-W344 HydrophobicContact CZ3-CD2 4.43Å; W340-W344 AromaticContact CZ3-CE2 3.69Å; W340-W344 AromaticContact CZ3-CZ2 3.83Å; W340-W344 HydrophobicContact CZ3-CZ2 3.83Å; W340-W344 AromaticContact CZ3-NE1 3.62Å
341	G	97.5	Very high	98.1	Very high	7 Å²	7	30.3 Å²	30.3	7%	0.072	16%	0.159	C	C	.	.			trans	77.7	167.7	-174.5	0	0	0	0	0	113.4	K170 T343	K170-G341 PolarHBondContact O-N 2.95Å; G341-T343 PolarHBondContact O-N 2.94Å
342	T	97.2	Very high	98.3	Very high	90 Å²	90	28.6 Å²	28.6	55%	0.552	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-6.9	-176.7	51.2	0	0	0	0	114.3	V169 W344 K347	V169-T342 HydrophobicContact CB-CG2 3.93Å; V169-T342 HydrophobicContact CG1-CG2 4.29Å; T342-W344 VanDerWaalsContact C-N 3.35Å; T342-K347 WeakPolarHBondContact O-CA 3.27Å
343	T	94.6	Very high	98.3	Very high	73 Å²	73	26.9 Å²	26.9	45%	0.448	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-2.4	177.9	56.9	0	0	0	0	113.6	G341	G341-T343 PolarHBondContact O-N 2.94Å
344	W	98	Very high	98.3	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.137	C	C	.	.	S	Bend	trans	-106.4	143.1	172.6	177.8	93.7	0	0	0	110.3	F297 Q298 Y300 N338 W340 T342 G348 I350	F297-W344 AromaticContact CD1-CZ2 3.94Å; F297-W344 HydrophobicContact CD1-CZ2 3.94Å; F297-W344 AromaticContact CE1-CH2 3.93Å; F297-W344 HydrophobicContact CE1-CH2 3.93Å; F297-W344 AromaticContact CE1-CZ2 3.61Å; F297-W344 HydrophobicContact CE1-CZ2 3.61Å; F297-W344 AromaticContact CZ-CH2 3.94Å; F297-W344 HydrophobicContact CZ-CH2 3.94Å; F297-W344 HydrophobicContact CZ-CZ2 4.04Å; F297-W344 WeakPolarHBondContact O-CZ2 3.27Å; F297-W344 PolarHBondContact O-NE1 3.45Å; Q298-W344 PolarHBondContact O-NE1 3.16Å; Q298-W344 VanDerWaalsContact O-NE1 3.16Å; Y300-W344 HydrophobicContact CD1-CH2 4.1Å; Y300-W344 HydrophobicContact CD1-CZ2 4.27Å; Y300-W344 HydrophobicContact CD1-CZ3 4.49Å; N338-W344 HydrophobicContact CB-CE3 3.83Å; N338-W344 HydrophobicContact CB-CH2 4.18Å; N338-W344 HydrophobicContact CB-CZ3 3.45Å; N338-W344 VanDerWaalsContact CB-CZ3 3.45Å; N338-W344 VanDerWaalsContact ND2-CE3 3.32Å; N338-W344 WeakPolarHBondContact ND2-CH2 3.18Å; N338-W344 WeakPolarHBondContact ND2-CZ2 3.32Å; N338-W344 WeakPolarHBondContact ND2-CZ3 3.26Å; W340-W344 HydrophobicContact CB-CB 4.17Å; W340-W344 HydrophobicContact CB-CG 4.27Å; W340-W344 AromaticContact CE3-CD1 3.73Å; W340-W344 AromaticContact CE3-CD2 3.8Å; W340-W344 HydrophobicContact CE3-CD2 3.8Å; W340-W344 AromaticContact CE3-CE2 3.51Å; W340-W344 AromaticContact CE3-CG 3.94Å; W340-W344 HydrophobicContact CE3-CG 3.94Å; W340-W344 HydrophobicContact CE3-CZ2 4.02Å; W340-W344 AromaticContact CE3-NE1 3.48Å; W340-W344 HydrophobicContact CZ3-CD2 4.43Å; W340-W344 AromaticContact CZ3-CE2 3.69Å; W340-W344 AromaticContact CZ3-CZ2 3.83Å; W340-W344 HydrophobicContact CZ3-CZ2 3.83Å; W340-W344 AromaticContact CZ3-NE1 3.62Å; T342-W344 VanDerWaalsContact C-N 3.35Å; W344-G348 WeakPolarHBondContact O-CA 3.28Å; W344-G348 PolarHBondContact O-N 3.42Å; W344-I350 HydrophobicContact CH2-CB 3.74Å; W344-I350 HydrophobicContact CH2-CD1 3.94Å; W344-I350 HydrophobicContact CH2-CG1 4.43Å; W344-I350 HydrophobicContact CH2-CG2 3.83Å; W344-I350 HydrophobicContact CZ2-CD1 4.43Å; W344-I350 HydrophobicContact CZ3-CB 4.04Å; W344-I350 HydrophobicContact CZ3-CG2 4.17Å
345	G	98.3	Very high	98.2	Very high	16 Å²	16	29.8 Å²	29.8	17%	0.165	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.1	-157	178.9	0	0	0	0	0	114.7	Y300 S301 K347	Y300-G345 VanDerWaalsContact O-CA 3.3Å; Y300-G345 WeakPolarHBondContact O-CA 3.26Å; Y300-G345 PolarHBondContact O-N 3.1Å; S301-G345 CarbonylContact O-C 3.56Å; G345-K347 VanDerWaalsContact C-N 3.31Å; G345-K347 PolarHBondContact O-N 2.84Å
346	D	98.2	Very high	98	Very high	65 Å²	65	34.8 Å²	34.8	35%	0.348	18%	0.179	S	C	.	.	B	Isolated β-bridge	trans	-81.1	83.7	172.8	179	13	0	0	0	108	S301 G348 F349	S301-D346 PolarHBondContact O-N 3.11Å; D346-G348 VanDerWaalsContact C-N 3.27Å; D346-G348 PolarHBondContact O-N 3.1Å; D346-F349 PolarHBondContact N-O 2.63Å; D346-F349 WeakPolarHBondContact O-CB 3.13Å; D346-F349 PolarHBondContact O-N 3.39Å
347	K	98.1	Very high	97.9	Very high	153 Å²	153	44.1 Å²	44.1	67%	0.665	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.5	38.3	178.6	-55.6	169.4	-172.4	167.5	0	112.9	T342 G345	T342-K347 WeakPolarHBondContact O-CA 3.27Å; G345-K347 VanDerWaalsContact C-N 3.31Å; G345-K347 PolarHBondContact O-N 2.84Å
348	G	98.6	Very high	97.8	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	89	5	-176.5	0	0	0	0	0	115.4	N338 W344 D346	N338-G348 WeakPolarHBondContact CB-O 3.32Å; N338-G348 PolarHBondContact N-O 3.22Å; W344-G348 WeakPolarHBondContact O-CA 3.28Å; W344-G348 PolarHBondContact O-N 3.42Å; D346-G348 VanDerWaalsContact C-N 3.27Å; D346-G348 PolarHBondContact O-N 3.1Å
349	F	98.8	Very high	97.8	Very high	20 Å²	20	45.5 Å²	45.5	9%	0.088	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	157.1	175.3	-64.2	-95.6	0	0	0	111.8	R161 V169 Y300 V322 L335 V336 K337 D346	R161-F349 VanDerWaalsContact CD-CZ 3.45Å; R161-F349 HydrophobicContact CG-CE1 4.23Å; R161-F349 HydrophobicContact CG-CZ 4.2Å; V169-F349 HydrophobicContact CG2-CD2 4.11Å; V169-F349 HydrophobicContact CG2-CE2 3.54Å; V169-F349 HydrophobicContact CG2-CZ 3.94Å; Y300-F349 WeakPolarHBondContact CE1-O 3.38Å; V322-F349 HydrophobicContact CG2-CD1 4.23Å; V322-F349 HydrophobicContact CG2-CE1 3.91Å; L335-F349 HydrophobicContact CD1-CB 4.39Å; L335-F349 HydrophobicContact CD1-CD1 4.4Å; V336-F349 CarbonylContact O-C 3.45Å; V336-F349 VanDerWaalsContact O-CA 3.22Å; V336-F349 WeakPolarHBondContact O-CA 3.44Å; V336-F349 WeakPolarHBondContact O-CB 3.43Å; V336-F349 WeakPolarHBondContact O-CD1 2.99Å; K337-F349 HydrophobicContact CB-CD1 3.95Å; K337-F349 HydrophobicContact CB-CE1 3.54Å; K337-F349 HydrophobicContact CB-CZ 4.31Å; K337-F349 HydrophobicContact CD-CE1 4.49Å; K337-F349 HydrophobicContact CG-CD1 4.47Å; K337-F349 HydrophobicContact CG-CE1 3.84Å; K337-F349 HydrophobicContact CG-CZ 4.1Å; D346-F349 PolarHBondContact N-O 2.63Å; D346-F349 WeakPolarHBondContact O-CB 3.13Å; D346-F349 PolarHBondContact O-N 3.39Å
350	I	98.9	Very high	97.8	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.005	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	140.3	171.8	-179.6	166.3	0	0	0	109.4	F297 Y300 Y305 V336 W344 M352	F297-I350 HydrophobicContact CD2-CD1 4.01Å; F297-I350 HydrophobicContact CE2-CD1 3.59Å; F297-I350 HydrophobicContact CZ-CD1 4.15Å; Y300-I350 HydrophobicContact CD1-CB 3.86Å; Y300-I350 HydrophobicContact CD1-CD1 3.74Å; Y300-I350 HydrophobicContact CD1-CG1 3.68Å; Y300-I350 HydrophobicContact CD2-CD1 3.83Å; Y300-I350 HydrophobicContact CD2-CG1 3.96Å; Y300-I350 HydrophobicContact CE1-CB 3.66Å; Y300-I350 HydrophobicContact CE1-CD1 4.19Å; Y300-I350 HydrophobicContact CE1-CG1 3.6Å; Y300-I350 HydrophobicContact CE2-CD1 4.23Å; Y300-I350 HydrophobicContact CE2-CG1 3.83Å; Y300-I350 HydrophobicContact CG-CD1 3.57Å; Y300-I350 HydrophobicContact CG-CG1 3.89Å; Y305-I350 HydrophobicContact CD1-CD1 4.31Å; Y305-I350 HydrophobicContact CD2-CD1 4.18Å; Y305-I350 HydrophobicContact CG-CD1 3.81Å; V336-I350 HydrophobicContact CB-CG2 3.75Å; V336-I350 HydrophobicContact CG1-CG2 4.11Å; V336-I350 PolarHBondContact N-O 3.06Å; V336-I350 PolarHBondContact O-N 3.06Å; W344-I350 HydrophobicContact CH2-CB 3.74Å; W344-I350 HydrophobicContact CH2-CD1 3.94Å; W344-I350 HydrophobicContact CH2-CG1 4.43Å; W344-I350 HydrophobicContact CH2-CG2 3.83Å; W344-I350 HydrophobicContact CZ2-CD1 4.43Å; W344-I350 HydrophobicContact CZ3-CB 4.04Å; W344-I350 HydrophobicContact CZ3-CG2 4.17Å; I350-M352 HydrophobicContact CD1-CG 4.09Å; I350-M352 HydrophobicContact CG1-CG 3.91Å; I350-M352 HydrophobicContact CG2-CG 4.06Å; I350-M352 HydrophobicContact CG2-SD 4.35Å
351	K	98.8	Very high	97.8	Very high	56 Å²	56	45.4 Å²	45.4	24%	0.243	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	113.1	164.8	-65.2	176.9	-177.5	170	0	106.7	Y300 G303 V304 Y305 Y333 W334	Y300-K351 PolarHBondContact OH-N 2.73Å; G303-K351 WeakPolarHBondContact O-CB 3.5Å; V304-K351 HydrophobicContact CG2-CB 4.33Å; V304-K351 HydrophobicContact CG2-CD 4.43Å; Y305-K351 WeakPolarHBondContact CB-O 3.44Å; Y305-K351 PolarHBondContact N-O 2.83Å; Y333-K351 HydrophobicContact CD1-CD 4.11Å; Y333-K351 HydrophobicContact CD2-CB 3.91Å; Y333-K351 HydrophobicContact CD2-CD 4.03Å; Y333-K351 HydrophobicContact CD2-CG 3.68Å; Y333-K351 HydrophobicContact CE1-CD 4.1Å; Y333-K351 HydrophobicContact CE2-CD 4.04Å; Y333-K351 HydrophobicContact CE2-CG 3.93Å; Y333-K351 HydrophobicContact CG-CB 3.94Å; Y333-K351 HydrophobicContact CG-CD 4.09Å; Y333-K351 HydrophobicContact CG-CG 4.05Å; W334-K351 CarbonylContact O-C 3.2Å; W334-K351 VanDerWaalsContact O-CA 3.29Å; W334-K351 WeakPolarHBondContact O-CA 3.45Å
352	M	98.8	Very high	97.9	Very high	3 Å²	3	45 Å²	45	2%	0.015	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	140.9	175.9	-65.5	-175.4	69.8	0	0	109.7	I290 F297 Y305 Y333 W334 V336 I350 R354 C360 I362	I290-M352 HydrophobicContact CB-CE 4.2Å; I290-M352 HydrophobicContact CD1-CE 3.97Å; I290-M352 HydrophobicContact CD1-SD 3.81Å; I290-M352 HydrophobicContact CG2-CE 3.87Å; I290-M352 HydrophobicContact CG2-SD 4.09Å; F297-M352 HydrophobicContact CE2-CE 4.26Å; F297-M352 HydrophobicContact CE2-SD 4.18Å; Y305-M352 HydrophobicContact CD1-CE 4.28Å; Y305-M352 HydrophobicContact CD1-CG 4.49Å; Y333-M352 CarbonylContact C-O 3.26Å; Y333-M352 WeakPolarHBondContact CA-O 3.39Å; Y333-M352 WeakPolarHBondContact CB-O 3.47Å; W334-M352 PolarHBondContact N-O 3.39Å; W334-M352 PolarHBondContact O-N 3.2Å; V336-M352 HydrophobicContact CG2-CB 4.38Å; V336-M352 HydrophobicContact CG2-CG 4.15Å; V336-M352 HydrophobicContact CG2-SD 4.12Å; I350-M352 HydrophobicContact CD1-CG 4.09Å; I350-M352 HydrophobicContact CG1-CG 3.91Å; I350-M352 HydrophobicContact CG2-CG 4.06Å; I350-M352 HydrophobicContact CG2-SD 4.35Å; M352-R354 PolarHBondContact O-N 2.84Å; M352-C360 HydrophobicContact CE-CB 3.78Å; M352-I362 HydrophobicContact CB-CD1 4.02Å; M352-I362 HydrophobicContact CE-CD1 4.43Å; M352-I362 HydrophobicContact SD-CD1 3.9Å
353	L	98.4	Very high	97.9	Very high	6 Å²	6	40.8 Å²	40.8	3%	0.031	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.9	135.5	179.6	-169.9	67.3	0	0	0	112.4	V304 Y305 N306 E331 K356 Q359	V304-L353 HydrophobicContact CG1-CB 4.22Å; V304-L353 HydrophobicContact CG1-CD1 4.08Å; Y305-L353 WeakPolarHBondContact O-CB 3.02Å; Y305-L353 PolarHBondContact O-N 2.77Å; N306-L353 HydrophobicContact CB-CD2 4.07Å; E331-L353 HydrophobicContact CG-CD1 3.36Å; L353-K356 HydrophobicContact CD1-CG 3.94Å; L353-K356 HydrophobicContact CD2-CB 3.53Å; L353-K356 HydrophobicContact CD2-CG 3.58Å; L353-K356 HydrophobicContact CG-CB 3.73Å; L353-K356 HydrophobicContact CG-CG 3.56Å; L353-Q359 HydrophobicContact CB-CB 4.3Å; L353-Q359 HydrophobicContact CB-CG 4.19Å; L353-Q359 HydrophobicContact CD2-CB 4.43Å; L353-Q359 HydrophobicContact CD2-CG 4.13Å
354	R	98.5	Very high	98.1	Very high	16 Å²	16	37.6 Å²	37.6	6%	0.06	18%	0.18	C	C	.	.			trans	-122.8	153.3	-178.6	175.3	171.6	63.6	72.3	0	111	E273 G325 D332 Y333 W334 M352 K356	E273-R354 WeakPolarHBondContact OE1-CA 3.27Å; G325-R354 PolarHBondContact O-NH2 3.37Å; D332-R354 HydrophobicContact CB-CB 4.25Å; D332-R354 VanDerWaalsContact CG-CZ 3.41Å; D332-R354 PolarHBondContact O-N 3.5Å; D332-R354 IonicContact OD1-CZ 2.77Å; D332-R354 IonicContact OD1-NH1 3.25Å; D332-R354 IonicContact OD1-NH2 3.54Å; D332-R354 PolarHBondContact OD1-NH2 2.91Å; D332-R354 IonicContact OD2-CZ 2.67Å; D332-R354 IonicContact OD2-NH1 2.96Å; D332-R354 PolarHBondContact OD2-NH1 3.35Å; D332-R354 IonicContact OD2-NH2 2.64Å; D332-R354 PolarHBondContact OD2-NH2 3.45Å; Y333-R354 PolarHBondContact O-NE 2.86Å; W334-R354 HydrophobicContact CD2-CB 4.27Å; W334-R354 HydrophobicContact CD2-CG 4.04Å; W334-R354 VanDerWaalsContact CE2-CG 3.42Å; W334-R354 HydrophobicContact CG-CB 4.05Å; W334-R354 HydrophobicContact CG-CG 4.35Å; W334-R354 HydrophobicContact CH2-CG 4.41Å; W334-R354 VanDerWaalsContact CZ2-CD 3.42Å; W334-R354 HydrophobicContact CZ2-CG 3.64Å; M352-R354 PolarHBondContact O-N 2.84Å; R354-K356 VanDerWaalsContact C-N 3.3Å
355	N	97.2	Very high	98	Very high	84 Å²	84	37.9 Å²	37.9	45%	0.449	18%	0.183	S	C	.	.	S	Bend	trans	60.5	38.5	-178.2	-65.4	-25	0	0	0	112.4	E273 D332	E273-N355 VanDerWaalsContact CD-N 3.33Å; E273-N355 PolarHBondContact OE1-N 3.18Å; E273-N355 WeakPolarHBondContact OE2-CA 3.34Å; E273-N355 PolarHBondContact OE2-N 3.4Å; D332-N355 PolarHBondContact OD2-ND2 2.8Å
356	K	96	Very high	98	Very high	112 Å²	112	37.3 Å²	37.3	49%	0.487	18%	0.177	S	C	.	.	S	Bend	trans	-141	73.1	-174.2	-68.4	-69.2	-173.1	175	0	109.1	E273 L353 R354 N358 Q359	E273-K356 PolarHBondContact OE2-N 3.23Å; E273-K356 VanDerWaalsContact OE2-N 3.1Å; L353-K356 HydrophobicContact CD1-CG 3.94Å; L353-K356 HydrophobicContact CD2-CB 3.53Å; L353-K356 HydrophobicContact CD2-CG 3.58Å; L353-K356 HydrophobicContact CG-CB 3.73Å; L353-K356 HydrophobicContact CG-CG 3.56Å; R354-K356 VanDerWaalsContact C-N 3.3Å; K356-N358 PolarHBondContact O-N 2.75Å; K356-Q359 PolarHBondContact O-N 2.83Å
357	E	95.7	Very high	98.1	Very high	196 Å²	196	34.3 Å²	34.3	92%	0.916	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.4	34.9	172.2	-58.6	-178.5	-170.2	0	0	113.8
358	N	97.9	Very high	98.1	Very high	19 Å²	19	27.9 Å²	27.9	10%	0.102	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.3	51	-177.8	-178.3	34.2	0	0	0	112.1	E273 K356 C360 G361 I362 A363 S364	E273-N358 PolarHBondContact OE2-N 2.81Å; K356-N358 PolarHBondContact O-N 2.75Å; N358-C360 PolarHBondContact O-N 2.82Å; N358-G361 VanDerWaalsContact O-CA 3.32Å; N358-G361 WeakPolarHBondContact O-CA 3.25Å; N358-G361 PolarHBondContact O-N 2.66Å; N358-I362 PolarHBondContact OD1-N 3.48Å; N358-I362 VanDerWaalsContact OD1-N 3.16Å; N358-A363 WeakPolarHBondContact OD1-CA 3.36Å; N358-A363 WeakPolarHBondContact OD1-CB 3.45Å; N358-A363 PolarHBondContact OD1-N 2.83Å; N358-S364 PolarHBondContact ND2-OG 2.92Å
359	Q	97.9	Very high	98.1	Very high	34 Å²	34	27.9 Å²	27.9	16%	0.159	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-46.8	130.1	-178.7	-164.4	67.5	37.4	0	0	112.4	E307 L353 K356 G361 I362	E307-Q359 PolarHBondContact O-NE2 3.27Å; L353-Q359 HydrophobicContact CB-CB 4.3Å; L353-Q359 HydrophobicContact CB-CG 4.19Å; L353-Q359 HydrophobicContact CD2-CB 4.43Å; L353-Q359 HydrophobicContact CD2-CG 4.13Å; K356-Q359 PolarHBondContact O-N 2.83Å; Q359-G361 PolarHBondContact O-N 2.74Å; Q359-I362 PolarHBondContact O-N 2.68Å
360	C	98.3	Very high	98	Very high	2 Å²	2	29.8 Å²	29.8	1%	0.014	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	55.2	18.6	-175.7	-46	0	0	0	0	114.5	I290 D291 C310 M352 N358 I362	I290-C360 CarbonylContact C-O 3.58Å; I290-C360 WeakPolarHBondContact CA-O 3.24Å; D291-C360 HydrophobicContact CB-CB 4.17Å; D291-C360 PolarHBondContact N-O 3.04Å; C310-C360 HydrophobicContact CB-CB 3.75Å; C310-C360 WeakPolarHBondContact CB-SG 3.4Å; C310-C360 WeakPolarHBondContact SG-CB 3.41Å; C310-C360 CovalentContact SG-SG 2.04Å; C310-C360 PolarHBondContact SG-SG 3.35Å; M352-C360 HydrophobicContact CE-CB 3.78Å; N358-C360 PolarHBondContact O-N 2.82Å; C360-I362 VanDerWaalsContact C-N 3.31Å; C360-I362 PolarHBondContact O-N 3.25Å
361	G	98.3	Very high	97.8	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	67.4	22.7	178.6	0	0	0	0	0	115.4	N358 Q359 A363 S364	N358-G361 VanDerWaalsContact O-CA 3.32Å; N358-G361 WeakPolarHBondContact O-CA 3.25Å; N358-G361 PolarHBondContact O-N 2.66Å; Q359-G361 PolarHBondContact O-N 2.74Å; G361-A363 PolarHBondContact O-N 3.31Å; G361-S364 WeakPolarHBondContact CA-OG 3.28Å; G361-S364 WeakPolarHBondContact O-CB 3.19Å; G361-S364 PolarHBondContact O-N 2.71Å; G361-S364 PolarHBondContact O-OG 2.56Å
362	I	98.7	Very high	97.8	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-24.2	-171.5	-165.4	165.1	0	0	0	115.4	M276 V288 I290 V321 W334 V336 M352 N358 Q359 C360	M276-I362 HydrophobicContact CE-CG1 4.22Å; M276-I362 HydrophobicContact CE-CG2 4.19Å; V288-I362 HydrophobicContact CB-CG1 4.49Å; V288-I362 WeakPolarHBondContact CB-O 3.18Å; V288-I362 WeakPolarHBondContact CG1-O 3.43Å; V288-I362 HydrophobicContact CG2-CG1 3.96Å; I290-I362 HydrophobicContact CG2-CB 3.91Å; I290-I362 HydrophobicContact CG2-CD1 4.25Å; I290-I362 HydrophobicContact CG2-CG1 3.78Å; V321-I362 HydrophobicContact CG2-CD1 4.26Å; V321-I362 HydrophobicContact CG2-CG1 4.37Å; W334-I362 HydrophobicContact CB-CD1 3.87Å; W334-I362 HydrophobicContact CG-CD1 3.86Å; V336-I362 HydrophobicContact CG2-CD1 3.9Å; M352-I362 HydrophobicContact CB-CD1 4.02Å; M352-I362 HydrophobicContact CE-CD1 4.43Å; M352-I362 HydrophobicContact SD-CD1 3.9Å; N358-I362 PolarHBondContact OD1-N 3.48Å; N358-I362 VanDerWaalsContact OD1-N 3.16Å; Q359-I362 PolarHBondContact O-N 2.68Å; C360-I362 VanDerWaalsContact C-N 3.31Å; C360-I362 PolarHBondContact O-N 3.25Å
363	A	98.4	Very high	97.7	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102	-1.9	172.7	0	0	0	0	0	113.7	G271 E273 M276 N358 G361 A365 S366	G271-A363 PolarHBondContact N-O 3.31Å; E273-A363 HydrophobicContact CG-CB 4.14Å; M276-A363 HydrophobicContact CE-CB 4.04Å; M276-A363 HydrophobicContact SD-CB 4.06Å; N358-A363 WeakPolarHBondContact OD1-CA 3.36Å; N358-A363 WeakPolarHBondContact OD1-CB 3.45Å; N358-A363 PolarHBondContact OD1-N 2.83Å; G361-A363 PolarHBondContact O-N 3.31Å; A363-A365 PolarHBondContact O-N 3.29Å; A363-S366 PolarHBondContact O-OG 2.98Å
364	S	97.8	Very high	97.7	Very high	6 Å²	6	33.3 Å²	33.3	4%	0.042	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-30.7	-176.8	-67	0	0	0	0	114.1	Q270 A312 N358 G361	Q270-S364 VanDerWaalsContact CG-O 3.3Å; Q270-S364 WeakPolarHBondContact CG-O 3.38Å; A312-S364 PolarHBondContact O-OG 3.37Å; N358-S364 PolarHBondContact ND2-OG 2.92Å; G361-S364 WeakPolarHBondContact CA-OG 3.28Å; G361-S364 WeakPolarHBondContact O-CB 3.19Å; G361-S364 PolarHBondContact O-N 2.71Å; G361-S364 PolarHBondContact O-OG 2.56Å
365	A	97.5	Very high	97.6	Very high	7 Å²	7	34.4 Å²	34.4	6%	0.058	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-142.1	80.6	176.7	0	0	0	0	0	108.3	F126 Y128 V288 A289 L315 A363	F126-A365 HydrophobicContact CZ-CB 4.14Å; Y128-A365 HydrophobicContact CE2-CB 4.49Å; V288-A365 WeakPolarHBondContact CA-O 3.43Å; A289-A365 HydrophobicContact CB-CB 4.19Å; A289-A365 PolarHBondContact N-O 3.23Å; A289-A365 VanDerWaalsContact N-O 3.13Å; L315-A365 HydrophobicContact CD1-CB 4.03Å; A363-A365 PolarHBondContact O-N 3.29Å
366	S	98.3	Very high	97.7	Very high	4 Å²	4	31.3 Å²	31.3	3%	0.028	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	121.8	-174.6	50.5	0	0	0	0	110.8	I268 S287 A363	I268-S366 WeakPolarHBondContact CB-OG 3.2Å; I268-S366 PolarHBondContact N-O 2.86Å; S287-S366 WeakPolarHBondContact O-CA 3.39Å; A363-S366 PolarHBondContact O-OG 2.98Å
367	S	98.6	Very high	97.8	Very high	2 Å²	2	25.9 Å²	25.9	1%	0.014	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	162.6	-175.1	64.7	0	0	0	0	112.7	D224 T266 S287	D224-S367 WeakPolarHBondContact OD1-CB 3.48Å; D224-S367 PolarHBondContact OD1-OG 3.43Å; T266-S367 CarbonylContact O-C 3.47Å; T266-S367 WeakPolarHBondContact O-CA 3.31Å; T266-S367 VanDerWaalsContact O-CB 3.31Å; T266-S367 WeakPolarHBondContact O-CB 3.44Å; S287-S367 WeakPolarHBondContact CB-O 3.42Å; S287-S367 PolarHBondContact N-O 3Å; S287-S367 PolarHBondContact O-N 2.66Å
368	Y	98.7	Very high	97.9	Very high	17 Å²	17	13.7 Å²	13.7	7%	0.067	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	148	176	63.5	-102.4	0	0	0	112	F146 F265 T266 I268 A279 V283 V286 L370	F146-Y368 HydrophobicContact CD2-CE1 4.08Å; F146-Y368 WeakPolarHBondContact CD2-OH 3.41Å; F265-Y368 CarbonylContact C-O 3.59Å; F265-Y368 VanDerWaalsContact CA-O 3.22Å; F265-Y368 WeakPolarHBondContact CA-O 3.45Å; F265-Y368 WeakPolarHBondContact CB-O 3.26Å; T266-Y368 VanDerWaalsContact CB-CE2 3.48Å; T266-Y368 HydrophobicContact CG2-CE1 3.94Å; T266-Y368 HydrophobicContact CG2-CE2 4.25Å; T266-Y368 WeakPolarHBondContact CG2-OH 3.07Å; T266-Y368 PolarHBondContact N-O 2.75Å; T266-Y368 PolarHBondContact O-N 2.78Å; T266-Y368 VanDerWaalsContact OG1-CE2 3.28Å; T266-Y368 WeakPolarHBondContact OG1-CE2 3.42Å; I268-Y368 HydrophobicContact CD1-CD1 4.19Å; I268-Y368 HydrophobicContact CD1-CE1 4.41Å; I268-Y368 HydrophobicContact CG1-CD1 4.48Å; I268-Y368 HydrophobicContact CG1-CE1 4.33Å; A279-Y368 HydrophobicContact CB-CE1 4.12Å; V283-Y368 HydrophobicContact CB-CE1 4.41Å; V283-Y368 HydrophobicContact CB-CE2 4.46Å; V283-Y368 HydrophobicContact CG1-CD2 3.78Å; V283-Y368 HydrophobicContact CG1-CE1 4.22Å; V283-Y368 HydrophobicContact CG1-CE2 3.47Å; V283-Y368 VanDerWaalsContact CG1-CE2 3.47Å; V283-Y368 HydrophobicContact CG1-CG 4.31Å; V283-Y368 HydrophobicContact CG2-CE1 4.42Å; V286-Y368 HydrophobicContact CG2-CD1 4.25Å; Y368-L370 HydrophobicContact CD2-CD2 4.41Å; Y368-L370 HydrophobicContact CE2-CD2 3.86Å
369	P	98.5	Very high	97.9	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	168.4	-179.6	30.3	-31.9	0	0	0	113.2	A186 L187 Q190 F227 D262 G264	A186-P369 HydrophobicContact CB-CG 4.3Å; L187-P369 HydrophobicContact CB-CG 3.84Å; L187-P369 HydrophobicContact CD1-CB 4.02Å; L187-P369 HydrophobicContact CD1-CG 3.92Å; L187-P369 HydrophobicContact CG-CG 4.47Å; Q190-P369 HydrophobicContact CB-CG 4.44Å; Q190-P369 HydrophobicContact CG-CG 3.98Å; F227-P369 HydrophobicContact CD1-CB 3.73Å; F227-P369 HydrophobicContact CD1-CG 4.12Å; F227-P369 HydrophobicContact CE1-CB 3.85Å; F227-P369 HydrophobicContact CE1-CG 3.71Å; F227-P369 HydrophobicContact CG-CB 4.22Å; F227-P369 HydrophobicContact CZ-CB 4.44Å; F227-P369 HydrophobicContact CZ-CG 4.19Å; D262-P369 VanDerWaalsContact OD1-CB 3.3Å; D262-P369 WeakPolarHBondContact OD1-CB 3.41Å; G264-P369 CarbonylContact O-C 3.52Å
370	L	97.8	Very high	97.9	Very high	61 Å²	61	11.6 Å²	11.6	32%	0.319	7%	0.065	S	C	.	.			trans	-125.3	117.9	-175.7	-62.9	171.7	0	0	0	110.6	V144 D262 R263 G264 Y368	V144-L370 HydrophobicContact CG2-CD1 3.96Å; D262-L370 CarbonylContact C-O 3.51Å; D262-L370 PolarHBondContact OD1-N 3.12Å; D262-L370 VanDerWaalsContact OD1-O 3.09Å; R263-L370 HydrophobicContact CB-CB 4.45Å; R263-L370 VanDerWaalsContact CB-O 3.27Å; R263-L370 WeakPolarHBondContact CB-O 3.4Å; R263-L370 PolarHBondContact N-O 3.35Å; G264-L370 WeakPolarHBondContact O-CB 3.41Å; G264-L370 VanDerWaalsContact O-CG 3.26Å; G264-L370 WeakPolarHBondContact O-CG 3.38Å; G264-L370 PolarHBondContact O-N 3.33Å; Y368-L370 HydrophobicContact CD2-CD2 4.41Å; Y368-L370 HydrophobicContact CE2-CD2 3.86Å
371	V	94.5	Very high	97.9	Very high	40 Å²	40	12.5 Å²	12.5	24%	0.242	7%	0.07	C	C	.	.			trans	-101.1	0	-172	-66.7	0	0	0	0	114.4	L187 Q190 K194 R263	L187-V371 HydrophobicContact CD1-CG1 3.56Å; Q190-V371 HydrophobicContact CB-CG1 3.85Å; Q190-V371 HydrophobicContact CB-CG2 4.07Å; Q190-V371 WeakPolarHBondContact O-CG2 3.15Å; K194-V371 HydrophobicContact CB-CG2 3.65Å; K194-V371 HydrophobicContact CD-CB 3.67Å; K194-V371 HydrophobicContact CD-CG2 3.59Å; K194-V371 HydrophobicContact CG-CG2 4.24Å; K194-V371 PolarHBondContact NZ-OXT 3.24Å; R263-V371 PolarHBondContact NE-OXT 3.18Å

Retrieved 371 of 371 residues in 211.6 ms (Link to these results)

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