A0A087X7M5_POEFO Loading...

Alpha-2,8-sialyltransferase 8E

Involved in the synthesis of gangliosides GD1c, GT1a, GQ1b, GP1c and GT3 from GD1a, GT1b, GM1b and GD3 respectively.

AlphaFold DB , UniProt , Accession A0A087X7M5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 426 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	R	32.3	Very low	32.1	Very low	305 Å²	305	169.5 Å²	169.5	100%	1.151	83%	0.829	S	S	*	*				0	130	0	-75.5	179.2	-176.4	-179.4	0.6	107.1
2	H	32.8	Very low	31.6	Very low	181 Å²	181	170.2 Å²	170.2	84%	0.838	83%	0.833	S	S	*	*			trans	-37.4	157.3	-170.5	-65.3	-21	0	0	0	117.7
3	L	31.9	Very low	31.5	Very low	146 Å²	146	168.8 Å²	168.8	76%	0.764	83%	0.83	S	S	*	*			cis	-173.2	149.6	-12.8	-110.4	162.3	0	0	0	104
4	P	51.4	Low	31.3	Very low	127 Å²	127	173.4 Å²	173.4	83%	0.825	83%	0.833	S	S	*	*			trans	-130.3	154.1	161.6	36.6	-22.7	0	0	0	113.5
5	G	30.4	Very low	31	Very low	78 Å²	78	176.6 Å²	176.6	80%	0.804	83%	0.834	S	S	*	*			trans	-128.7	135.6	164.6	0	0	0	0	0	110.1
6	C	28.1	Very low	30.8	Very low	120 Å²	120	179.3 Å²	179.3	81%	0.811	83%	0.833	S	S	*	*				170.6	158.8	125.4	-146.9	0	0	0	0	111.7
7	H	30.4	Very low	30.6	Very low	167 Å²	167	179.1 Å²	179.1	77%	0.773	84%	0.835	S	S	*	*			trans	93.2	119.9	159.2	-78.4	-68.3	0	0	0	122
8	R	30.3	Very low	30.4	Very low	216 Å²	216	174.2 Å²	174.2	82%	0.815	83%	0.831	S	S	*	*				154	125.2	113.3	-85.5	-165.2	177.9	-155.9	-1.9	109.9
9	Q	29.6	Very low	30.3	Very low	149 Å²	149	176.6 Å²	176.6	70%	0.696	83%	0.832	S	S	*	*				89.2	130.3	66.1	-100.8	-166.9	-15.7	0	0	115.3
10	L	28.3	Very low	30.2	Very low	149 Å²	149	174.3 Å²	174.3	78%	0.78	83%	0.831	S	S	*	*			trans	90.4	138.3	146.4	-94.7	91.1	0	0	0	123.6
11	W	27.5	Very low	30.5	Very low	226 Å²	226	172.8 Å²	172.8	86%	0.856	83%	0.828	S	S	*	*			trans	-76.4	150	176.6	-85.3	39.6	0	0	0	114.9
12	M	26.8	Very low	30.7	Very low	178 Å²	178	163.4 Å²	163.4	88%	0.877	81%	0.806	S	S	*	*				169.8	154.5	110.5	-105.3	-166.8	-99.9	0	0	113.4
13	L	30.2	Very low	30.8	Very low	153 Å²	153	159.5 Å²	159.5	80%	0.801	80%	0.799	S	S	*	*			trans	-73.3	147.3	-173.9	-75.2	98.5	0	0	0	116.7
14	R	28.2	Very low	30.8	Very low	232 Å²	232	157.9 Å²	157.9	88%	0.875	80%	0.8	S	S	*	*				174.5	123.9	119.2	-105.2	-178.4	172.8	-173	-0.3	115.7
15	R	27.7	Very low	30	Very low	222 Å²	222	155.2 Å²	155.2	84%	0.838	80%	0.796	S	S	*	*			trans	41.4	126.5	136.1	-74.2	-174.1	172.2	-171.7	-2.9	124.3
16	R	27.8	Very low	30.3	Very low	219 Å²	219	161 Å²	161	83%	0.826	80%	0.799	S	S	*	*				151.2	114.1	115.2	-94.6	-170.9	-179	-171.9	0.9	110.4
17	M	26.7	Very low	30.9	Very low	176 Å²	176	161.3 Å²	161.3	87%	0.867	79%	0.793	S	S	*	*				87.9	115.1	88.7	-110.9	-178.3	-164	0	0	114.8
18	A	26.6	Very low	31.5	Very low	91 Å²	91	160.8 Å²	160.8	75%	0.752	79%	0.794	S	S	*	*			trans	-177.3	122.6	131.6	0	0	0	0	0	112.8
19	Y	28.5	Very low	32.2	Very low	220 Å²	220	157.4 Å²	157.4	86%	0.863	79%	0.791	S	S	*	*			trans	32.4	139.4	141.4	-72.9	-86.5	0	0	0	121.9
20	T	28.3	Very low	32.9	Very low	131 Å²	131	152 Å²	152	80%	0.804	78%	0.775	S	S	*	*			cis	-158.7	159.5	41.7	37	0	0	0	0	113.8
21	D	36.4	Very low	34	Very low	143 Å²	143	149.1 Å²	149.1	77%	0.765	77%	0.767	S	S	*	*			trans	-99	152.4	166.2	-173.4	19	0	0	0	109.4	S23	D21-S23 PolarHBondContact OD1-N 3.11Å; D21-S23 VanDerWaalsContact OD1-N 3.08Å
22	P	38	Very low	35.2	Very low	108 Å²	108	148 Å²	148	70%	0.701	76%	0.763	S	S	*	*				-149.1	136.2	100.3	35.6	-16.6	0	0	0	116.4
23	S	33	Very low	36.6	Very low	98 Å²	98	142.5 Å²	142.5	69%	0.685	74%	0.742	S	S	*	*			trans	55.6	149.6	135.4	73.8	0	0	0	0	119.7	D21	D21-S23 PolarHBondContact OD1-N 3.11Å; D21-S23 VanDerWaalsContact OD1-N 3.08Å
24	S	31.8	Very low	37.9	Very low	112 Å²	112	140.1 Å²	140.1	78%	0.783	73%	0.729	S	S	*	*			cis	179.8	135.8	-10	51.3	0	0	0	0	106.3
25	G	35.4	Very low	39.2	Very low	72 Å²	72	132.6 Å²	132.6	74%	0.742	71%	0.711	S	S	*	*			trans	98.2	140.5	148.3	0	0	0	0	0	118.8
26	K	36.8	Very low	41	Very low	199 Å²	199	129.1 Å²	129.1	87%	0.865	70%	0.703	S	S	*	*			trans	86.7	123	170.3	-53.4	176.6	-177.4	178.5	0	114.2
27	D	40.8	Very low	43	Very low	127 Å²	127	123.8 Å²	123.8	68%	0.679	69%	0.689	S	S	*	*			cis	-156.6	100.1	8	-86.2	-41.1	0	0	0	108.7
28	I	43.5	Very low	45	Very low	155 Å²	155	122.6 Å²	122.6	80%	0.795	68%	0.68	S	S	*	*	S	Bend	trans	-90.4	-5.7	174.6	-61.4	174.3	0	0	0	111.4
29	L	43.8	Very low	47.1	Very low	146 Å²	146	123.7 Å²	123.7	76%	0.764	67%	0.672	S	S	*	*	H	α-helix	trans	-87.9	-16.2	177.4	-85.3	142.6	0	0	0	114.3	S33	L29-S33 PolarHBondContact O-OG 2.91Å
30	G	44	Very low	49.2	Very low	34 Å²	34	116.1 Å²	116.1	35%	0.351	65%	0.65	S	S	.	*	H	α-helix	trans	-77.7	-37.8	-179.6	0	0	0	0	0	114.2	L34	G30-L34 WeakPolarHBondContact O-CB 3.42Å; G30-L34 WeakPolarHBondContact O-CD1 3.47Å; G30-L34 WeakPolarHBondContact O-CG 3.45Å; G30-L34 PolarHBondContact O-N 3.26Å
31	S	52.5	Low	51.2	Low	89 Å²	89	112.2 Å²	112.2	62%	0.622	63%	0.631	S	S	*	*	H	α-helix	trans	-71.6	-39.4	-173.9	177.9	0	0	0	0	113.2	C35	S31-C35 WeakPolarHBondContact O-CB 3.42Å; S31-C35 PolarHBondContact O-N 2.59Å; S31-C35 VanDerWaalsContact O-N 3.09Å
32	R	53.3	Low	52.9	Low	204 Å²	204	112.7 Å²	112.7	77%	0.77	63%	0.627	S	S	*	*	H	α-helix	trans	-72.7	-35.3	178.4	-61.5	-176.2	81.7	176.4	4.4	111.7	C35 F36	R32-C35 PolarHBondContact O-N 3.37Å; R32-F36 WeakPolarHBondContact O-CB 3.29Å; R32-F36 PolarHBondContact O-N 3.17Å
33	S	56.3	Low	54.7	Low	61 Å²	61	109.3 Å²	109.3	43%	0.427	61%	0.611	S	S	.	*	H	α-helix	trans	-67.9	-42.7	176.7	-55.5	0	0	0	0	111.6	L29 F36 I37	L29-S33 PolarHBondContact O-OG 2.91Å; S33-F36 PolarHBondContact O-N 3.33Å; S33-I37 WeakPolarHBondContact O-CB 3.33Å; S33-I37 WeakPolarHBondContact O-CD1 3.45Å; S33-I37 WeakPolarHBondContact O-CG1 3.42Å; S33-I37 PolarHBondContact O-N 3.01Å
34	L	56.3	Low	56.7	Low	103 Å²	103	109.7 Å²	109.7	54%	0.539	61%	0.605	S	S	.	*	H	α-helix	trans	-62.7	-42.9	173.7	-79.5	161.9	0	0	0	112	G30 F36 I37 F38	G30-L34 WeakPolarHBondContact O-CB 3.42Å; G30-L34 WeakPolarHBondContact O-CD1 3.47Å; G30-L34 WeakPolarHBondContact O-CG 3.45Å; G30-L34 PolarHBondContact O-N 3.26Å; L34-F36 VanDerWaalsContact C-N 3.33Å; L34-F36 PolarHBondContact O-N 2.98Å; L34-I37 PolarHBondContact O-N 2.93Å; L34-F38 WeakPolarHBondContact O-CD2 3.43Å; L34-F38 PolarHBondContact O-N 3.33Å
35	C	55.9	Low	58.7	Low	74 Å²	74	108.6 Å²	108.6	50%	0.5	59%	0.594	S	S	.	*	H	α-helix	trans	-64.3	-39.2	177.3	-146.7	0	0	0	0	111.7	S31 R32 F38 I39	S31-C35 WeakPolarHBondContact O-CB 3.42Å; S31-C35 PolarHBondContact O-N 2.59Å; S31-C35 VanDerWaalsContact O-N 3.09Å; R32-C35 PolarHBondContact O-N 3.37Å; C35-F38 PolarHBondContact O-N 3.29Å; C35-I39 VanDerWaalsContact O-CG1 3.3Å; C35-I39 WeakPolarHBondContact O-CG1 3.17Å; C35-I39 PolarHBondContact O-N 2.98Å
36	F	64.6	Low	60.2	Low	149 Å²	149	107.8 Å²	107.8	65%	0.654	57%	0.574	S	S	*	*	H	α-helix	trans	-66.1	-41.1	174.7	-136.1	-91	0	0	0	112.1	R32 S33 L34 F38 I39 C40	R32-F36 WeakPolarHBondContact O-CB 3.29Å; R32-F36 PolarHBondContact O-N 3.17Å; S33-F36 PolarHBondContact O-N 3.33Å; L34-F36 VanDerWaalsContact C-N 3.33Å; L34-F36 PolarHBondContact O-N 2.98Å; F36-F38 VanDerWaalsContact C-N 3.34Å; F36-F38 PolarHBondContact O-N 2.98Å; F36-I39 PolarHBondContact O-N 3.42Å; F36-C40 VanDerWaalsContact O-CB 3.29Å; F36-C40 WeakPolarHBondContact O-CB 3.28Å; F36-C40 PolarHBondContact O-N 3.16Å; F36-C40 PolarHBondContact O-SG 3.19Å
37	I	70.9	Confident	61.6	Low	107 Å²	107	102.7 Å²	102.7	55%	0.549	56%	0.556	S	S	.	*	H	α-helix	trans	-62.9	-41.2	175.6	-69.1	162.8	0	0	0	110.7	S33 L34 C40 A41	S33-I37 WeakPolarHBondContact O-CB 3.33Å; S33-I37 WeakPolarHBondContact O-CD1 3.45Å; S33-I37 WeakPolarHBondContact O-CG1 3.42Å; S33-I37 PolarHBondContact O-N 3.01Å; L34-I37 PolarHBondContact O-N 2.93Å; I37-C40 PolarHBondContact O-N 3.49Å; I37-A41 WeakPolarHBondContact O-CB 3.26Å; I37-A41 PolarHBondContact O-N 3.36Å
38	F	67.4	Low	62.7	Low	152 Å²	152	101.1 Å²	101.1	67%	0.667	55%	0.547	S	S	*	.	H	α-helix	trans	-65.3	-42.4	176.3	-95.3	-82.4	0	0	0	112.7	L34 C35 F36 A41 F42	L34-F38 WeakPolarHBondContact O-CD2 3.43Å; L34-F38 PolarHBondContact O-N 3.33Å; C35-F38 PolarHBondContact O-N 3.29Å; F36-F38 VanDerWaalsContact C-N 3.34Å; F36-F38 PolarHBondContact O-N 2.98Å; F38-A41 PolarHBondContact O-N 3.36Å; F38-F42 WeakPolarHBondContact O-CB 3.28Å; F38-F42 PolarHBondContact O-N 3.41Å
39	I	71.6	Confident	63.5	Low	114 Å²	114	98.7 Å²	98.7	59%	0.585	53%	0.533	S	S	*	.	H	α-helix	trans	-66.8	-42.3	177.1	-67.2	166.7	0	0	0	110.6	C35 F36 F42 G43	C35-I39 VanDerWaalsContact O-CG1 3.3Å; C35-I39 WeakPolarHBondContact O-CG1 3.17Å; C35-I39 PolarHBondContact O-N 2.98Å; F36-I39 PolarHBondContact O-N 3.42Å; I39-F42 PolarHBondContact O-N 3.26Å; I39-G43 PolarHBondContact O-N 3.14Å
40	C	71.4	Confident	64.2	Low	61 Å²	61	98.3 Å²	98.3	41%	0.412	53%	0.527	S	S	.	.	H	α-helix	trans	-66	-40.4	176.4	-72.4	0	0	0	0	112	F36 I37 G43 L44	F36-C40 VanDerWaalsContact O-CB 3.29Å; F36-C40 WeakPolarHBondContact O-CB 3.28Å; F36-C40 PolarHBondContact O-N 3.16Å; F36-C40 PolarHBondContact O-SG 3.19Å; I37-C40 PolarHBondContact O-N 3.49Å; C40-G43 PolarHBondContact O-N 3.2Å; C40-L44 WeakPolarHBondContact O-CB 3.09Å; C40-L44 PolarHBondContact O-N 3.26Å
41	A	70.8	Confident	65.2	Low	49 Å²	49	100.6 Å²	100.6	41%	0.405	53%	0.53	S	S	.	.	H	α-helix	trans	-66.2	-40.6	175.8	0	0	0	0	0	111.7	I37 F38 L44 V45	I37-A41 WeakPolarHBondContact O-CB 3.26Å; I37-A41 PolarHBondContact O-N 3.36Å; F38-A41 PolarHBondContact O-N 3.36Å; A41-L44 PolarHBondContact O-N 3.08Å; A41-V45 WeakPolarHBondContact O-CB 3.33Å; A41-V45 VanDerWaalsContact O-CG2 3.27Å; A41-V45 WeakPolarHBondContact O-CG2 3.41Å; A41-V45 PolarHBondContact O-N 3.06Å
42	F	73.3	Confident	65.4	Low	153 Å²	153	101.4 Å²	101.4	67%	0.671	53%	0.527	S	S	*	.	H	α-helix	trans	-67.4	-39.7	175.5	-162.3	-94.9	0	0	0	111.8	F38 I39 V45 T46	F38-F42 WeakPolarHBondContact O-CB 3.28Å; F38-F42 PolarHBondContact O-N 3.41Å; I39-F42 PolarHBondContact O-N 3.26Å; F42-V45 PolarHBondContact O-N 3.46Å; F42-T46 HydrophobicContact CD1-CG2 4.11Å; F42-T46 HydrophobicContact CE1-CG2 3.9Å; F42-T46 HydrophobicContact CZ-CG2 4.42Å; F42-T46 WeakPolarHBondContact O-CB 3.29Å; F42-T46 VanDerWaalsContact O-CG2 3.3Å; F42-T46 WeakPolarHBondContact O-CG2 3.27Å; F42-T46 PolarHBondContact O-N 3.32Å; F42-T46 PolarHBondContact O-OG1 3.45Å
43	G	75.6	Confident	65.2	Low	36 Å²	36	99.9 Å²	99.9	37%	0.371	52%	0.522	S	S	.	.	H	α-helix	trans	-61.5	-43.8	171.3	0	0	0	0	0	112.7	I39 C40 T46 L47	I39-G43 PolarHBondContact O-N 3.14Å; C40-G43 PolarHBondContact O-N 3.2Å; G43-T46 WeakPolarHBondContact CA-OG1 3.3Å; G43-T46 PolarHBondContact O-OG1 2.89Å; G43-L47 WeakPolarHBondContact O-CB 3.4Å; G43-L47 PolarHBondContact O-N 3.28Å
44	L	74.6	Confident	64.5	Low	106 Å²	106	98.1 Å²	98.1	56%	0.555	51%	0.514	S	S	*	.	H	α-helix	trans	-65.6	-42.8	176.8	-105.2	148.2	0	0	0	112.2	C40 A41 L47 L48	C40-L44 WeakPolarHBondContact O-CB 3.09Å; C40-L44 PolarHBondContact O-N 3.26Å; A41-L44 PolarHBondContact O-N 3.08Å; L44-L47 PolarHBondContact O-N 2.97Å; L44-L48 WeakPolarHBondContact O-CB 3.2Å; L44-L48 PolarHBondContact O-N 3.47Å
45	V	73.8	Confident	63.7	Low	90 Å²	90	99.9 Å²	99.9	55%	0.545	52%	0.517	S	S	.	.	H	α-helix	trans	-66.2	-44.3	178	171	0	0	0	0	110.7	A41 F42 L48 Q49	A41-V45 WeakPolarHBondContact O-CB 3.33Å; A41-V45 VanDerWaalsContact O-CG2 3.27Å; A41-V45 WeakPolarHBondContact O-CG2 3.41Å; A41-V45 PolarHBondContact O-N 3.06Å; F42-V45 PolarHBondContact O-N 3.46Å; V45-L48 PolarHBondContact O-N 3.13Å; V45-Q49 WeakPolarHBondContact O-CB 3.37Å; V45-Q49 PolarHBondContact O-N 2.88Å
46	T	66.5	Low	62.9	Low	54 Å²	54	102.4 Å²	102.4	33%	0.331	53%	0.526	S	S	.	.	H	α-helix	trans	-67	-35.9	177.3	51.3	0	0	0	0	112.4	F42 G43 Q49 Q50	F42-T46 HydrophobicContact CD1-CG2 4.11Å; F42-T46 HydrophobicContact CE1-CG2 3.9Å; F42-T46 HydrophobicContact CZ-CG2 4.42Å; F42-T46 WeakPolarHBondContact O-CB 3.29Å; F42-T46 VanDerWaalsContact O-CG2 3.3Å; F42-T46 WeakPolarHBondContact O-CG2 3.27Å; F42-T46 PolarHBondContact O-N 3.32Å; F42-T46 PolarHBondContact O-OG1 3.45Å; G43-T46 WeakPolarHBondContact CA-OG1 3.3Å; G43-T46 PolarHBondContact O-OG1 2.89Å; T46-Q49 PolarHBondContact O-N 3.02Å; T46-Q50 WeakPolarHBondContact O-CB 3.2Å; T46-Q50 WeakPolarHBondContact O-CG 3.32Å; T46-Q50 PolarHBondContact O-N 3.19Å
47	L	65.9	Low	61.6	Low	92 Å²	92	104.1 Å²	104.1	48%	0.482	53%	0.529	S	S	.	.	H	α-helix	trans	-68.7	-41.6	173.2	-172.4	68.5	0	0	0	111.9	G43 L44 Q49 Q50 I51	G43-L47 WeakPolarHBondContact O-CB 3.4Å; G43-L47 PolarHBondContact O-N 3.28Å; L44-L47 PolarHBondContact O-N 2.97Å; L47-Q49 VanDerWaalsContact C-N 3.32Å; L47-Q49 PolarHBondContact O-N 3.21Å; L47-Q50 CarbonylContact O-C 3.47Å; L47-Q50 PolarHBondContact O-N 2.89Å; L47-I51 HydrophobicContact CD1-CD1 4.42Å; L47-I51 HydrophobicContact CG-CD1 3.92Å; L47-I51 WeakPolarHBondContact O-CB 3.39Å; L47-I51 WeakPolarHBondContact O-CG1 3.49Å; L47-I51 PolarHBondContact O-N 2.81Å
48	L	64.1	Low	60	Low	95 Å²	95	103.8 Å²	103.8	50%	0.497	53%	0.527	S	S	.	.	H	α-helix	trans	-63.7	-39.4	173.4	-114.2	139.7	0	0	0	111.3	L44 V45 I51 L52	L44-L48 WeakPolarHBondContact O-CB 3.2Å; L44-L48 PolarHBondContact O-N 3.47Å; V45-L48 PolarHBondContact O-N 3.13Å; L48-I51 PolarHBondContact O-N 3.25Å; L48-L52 HydrophobicContact CD2-CD1 3.98Å; L48-L52 HydrophobicContact CD2-CG 4.4Å; L48-L52 VanDerWaalsContact O-CB 3.27Å; L48-L52 WeakPolarHBondContact O-CB 3.4Å; L48-L52 WeakPolarHBondContact O-CG 3.42Å; L48-L52 PolarHBondContact O-N 3.43Å
49	Q	61.3	Low	58.4	Low	104 Å²	104	104.6 Å²	104.6	49%	0.486	53%	0.531	S	S	.	.	H	α-helix	trans	-64.1	-45.3	173.8	-142.2	169.6	4.9	0	0	110.1	V45 T46 L47 I51 L52 Y53	V45-Q49 WeakPolarHBondContact O-CB 3.37Å; V45-Q49 PolarHBondContact O-N 2.88Å; T46-Q49 PolarHBondContact O-N 3.02Å; L47-Q49 VanDerWaalsContact C-N 3.32Å; L47-Q49 PolarHBondContact O-N 3.21Å; Q49-I51 PolarHBondContact O-N 3.31Å; Q49-L52 PolarHBondContact O-N 3.03Å; Q49-Y53 HydrophobicContact CG-CD2 3.86Å; Q49-Y53 HydrophobicContact CG-CE2 3.81Å; Q49-Y53 VanDerWaalsContact O-CB 3.32Å; Q49-Y53 WeakPolarHBondContact O-CB 3.28Å; Q49-Y53 VanDerWaalsContact O-CD2 3.23Å; Q49-Y53 WeakPolarHBondContact O-CD2 3.47Å; Q49-Y53 PolarHBondContact O-N 2.98Å
50	Q	59	Low	56.7	Low	138 Å²	138	103 Å²	103	65%	0.645	53%	0.529	S	S	*	.	H	α-helix	trans	-64.6	-34.3	174.4	-79.1	-175.6	-15.7	0	0	113.6	T46 L47 G54	T46-Q50 WeakPolarHBondContact O-CB 3.2Å; T46-Q50 WeakPolarHBondContact O-CG 3.32Å; T46-Q50 PolarHBondContact O-N 3.19Å; L47-Q50 CarbonylContact O-C 3.47Å; L47-Q50 PolarHBondContact O-N 2.89Å; Q50-G54 WeakPolarHBondContact O-CA 3.25Å; Q50-G54 PolarHBondContact O-N 2.94Å
51	I	65	Low	54.9	Low	81 Å²	81	102.9 Å²	102.9	42%	0.415	53%	0.533	S	S	.	.	H	α-helix	trans	-73.5	-40.3	176.6	-69.7	166.6	0	0	0	110.9	L47 L48 Q49 K55	L47-I51 HydrophobicContact CD1-CD1 4.42Å; L47-I51 HydrophobicContact CG-CD1 3.92Å; L47-I51 WeakPolarHBondContact O-CB 3.39Å; L47-I51 WeakPolarHBondContact O-CG1 3.49Å; L47-I51 PolarHBondContact O-N 2.81Å; L48-I51 PolarHBondContact O-N 3.25Å; Q49-I51 PolarHBondContact O-N 3.31Å; I51-K55 HydrophobicContact CG2-CD 4.24Å; I51-K55 VanDerWaalsContact O-CB 3.3Å; I51-K55 WeakPolarHBondContact O-CB 3.39Å; I51-K55 WeakPolarHBondContact O-CG 3.48Å; I51-K55 PolarHBondContact O-N 3.38Å
52	L	55.4	Low	53.1	Low	107 Å²	107	107.5 Å²	107.5	56%	0.56	55%	0.546	S	S	*	.	H	α-helix	trans	-69.9	-41.9	177.4	-72.7	168.2	0	0	0	111.8	L48 Q49	L48-L52 HydrophobicContact CD2-CD1 3.98Å; L48-L52 HydrophobicContact CD2-CG 4.4Å; L48-L52 VanDerWaalsContact O-CB 3.27Å; L48-L52 WeakPolarHBondContact O-CB 3.4Å; L48-L52 WeakPolarHBondContact O-CG 3.42Å; L48-L52 PolarHBondContact O-N 3.43Å; Q49-L52 PolarHBondContact O-N 3.03Å
53	Y	49.3	Very low	51.2	Low	171 Å²	171	108 Å²	108	67%	0.671	55%	0.551	S	S	*	*	H	α-helix	trans	-75.4	-33.3	174.3	-80.7	-87.2	0	0	0	112.4	Q49	Q49-Y53 HydrophobicContact CG-CD2 3.86Å; Q49-Y53 HydrophobicContact CG-CE2 3.81Å; Q49-Y53 VanDerWaalsContact O-CB 3.32Å; Q49-Y53 WeakPolarHBondContact O-CB 3.28Å; Q49-Y53 VanDerWaalsContact O-CD2 3.23Å; Q49-Y53 WeakPolarHBondContact O-CD2 3.47Å; Q49-Y53 PolarHBondContact O-N 2.98Å
54	G	41.7	Very low	49.3	Very low	25 Å²	25	114.8 Å²	114.8	26%	0.258	57%	0.57	S	S	.	*	H	α-helix	trans	-73.2	-33.5	178.6	0	0	0	0	0	114	Q50 N56 Y57 I58	Q50-G54 WeakPolarHBondContact O-CA 3.25Å; Q50-G54 PolarHBondContact O-N 2.94Å; G54-N56 VanDerWaalsContact C-N 3.28Å; G54-N56 PolarHBondContact O-N 2.95Å; G54-Y57 PolarHBondContact O-N 2.83Å; G54-I58 WeakPolarHBondContact O-CG1 3.2Å; G54-I58 PolarHBondContact O-N 3.21Å
55	K	39.5	Very low	47.1	Very low	139 Å²	139	114.8 Å²	114.8	60%	0.604	58%	0.579	S	S	*	*	H	α-helix	trans	-65.2	-28.8	174.7	-84.6	180	174.2	-179.6	0	113.3	I51 Y57 K59	I51-K55 HydrophobicContact CG2-CD 4.24Å; I51-K55 VanDerWaalsContact O-CB 3.3Å; I51-K55 WeakPolarHBondContact O-CB 3.39Å; I51-K55 WeakPolarHBondContact O-CG 3.48Å; I51-K55 PolarHBondContact O-N 3.38Å; K55-Y57 VanDerWaalsContact C-N 3.3Å; K55-K59 PolarHBondContact O-N 3.13Å
56	N	40.1	Very low	45	Very low	127 Å²	127	121.8 Å²	121.8	68%	0.679	60%	0.596	S	S	*	*	H	α-helix	trans	-74.6	-21.5	172.7	-75.4	-15.9	0	0	0	112.8	G54	G54-N56 VanDerWaalsContact C-N 3.28Å; G54-N56 PolarHBondContact O-N 2.95Å
57	Y	36.4	Very low	43.4	Very low	186 Å²	186	125.9 Å²	125.9	73%	0.729	62%	0.621	S	S	*	*	H	α-helix	trans	-86.6	-38.2	177.5	-140.9	-96.3	0	0	0	112.2	G54 K55 S60 A61	G54-Y57 PolarHBondContact O-N 2.83Å; K55-Y57 VanDerWaalsContact C-N 3.3Å; Y57-S60 PolarHBondContact O-N 3.26Å; Y57-A61 PolarHBondContact O-N 3.32Å
58	I	38.2	Very low	41.5	Very low	99 Å²	99	131.9 Å²	131.9	51%	0.508	64%	0.643	S	S	.	*	H	α-helix	trans	-72.1	-34.4	-178.7	-64.3	170.6	0	0	0	112	G54 S60 A61 Q62	G54-I58 WeakPolarHBondContact O-CG1 3.2Å; G54-I58 PolarHBondContact O-N 3.21Å; I58-S60 PolarHBondContact O-N 3.41Å; I58-A61 PolarHBondContact O-N 3.34Å; I58-Q62 HydrophobicContact CG2-CG 4.34Å; I58-Q62 PolarHBondContact O-N 3.26Å
59	K	33.4	Very low	39.7	Very low	170 Å²	170	130.7 Å²	130.7	74%	0.739	65%	0.653	S	S	*	*	H	α-helix	trans	-63.4	-29.7	172.2	-88.3	-173	174.1	-176.3	0	113.1	K55	K55-K59 PolarHBondContact O-N 3.13Å
60	S	36.4	Very low	38.1	Very low	79 Å²	79	133.4 Å²	133.4	55%	0.552	67%	0.671	S	S	*	*	H	α-helix	trans	-83.3	-29.4	176.9	-163.6	0	0	0	0	112.5	Y57 I58	Y57-S60 PolarHBondContact O-N 3.26Å; I58-S60 PolarHBondContact O-N 3.41Å
61	A	33.2	Very low	36.6	Very low	59 Å²	59	136 Å²	136	49%	0.488	68%	0.683	S	S	.	*	H	α-helix	trans	-80.8	-33.6	179.6	0	0	0	0	0	113.9	Y57 I58 Q63 F64	Y57-A61 PolarHBondContact O-N 3.32Å; I58-A61 PolarHBondContact O-N 3.34Å; A61-Q63 VanDerWaalsContact C-N 3.25Å; A61-Q63 PolarHBondContact O-N 3.15Å; A61-F64 PolarHBondContact O-N 3.24Å
62	Q	31.8	Very low	35.2	Very low	147 Å²	147	139.2 Å²	139.2	69%	0.687	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.7	-13.9	177.2	-82.4	178.9	-30.5	0	0	113.9	I58 F64	I58-Q62 HydrophobicContact CG2-CG 4.34Å; I58-Q62 PolarHBondContact O-N 3.26Å; Q62-F64 VanDerWaalsContact C-N 3.33Å
63	Q	33.5	Very low	33.8	Very low	164 Å²	164	137 Å²	137	77%	0.766	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.4	-5.6	174.5	-129.3	172.4	-5.5	0	0	113.4	A61	A61-Q63 VanDerWaalsContact C-N 3.25Å; A61-Q63 PolarHBondContact O-N 3.15Å
64	F	35.4	Very low	32.7	Very low	178 Å²	178	136.4 Å²	136.4	78%	0.781	72%	0.718	S	S	*	*	S	Bend	trans	-129.9	10.9	-174.5	-87.2	-81.6	0	0	0	115.5	A61 Q62 R66	A61-F64 PolarHBondContact O-N 3.24Å; Q62-F64 VanDerWaalsContact C-N 3.33Å; F64-R66 PolarHBondContact O-N 2.89Å; F64-R66 VanDerWaalsContact O-N 3.12Å
65	S	28.5	Very low	32	Very low	106 Å²	106	146.8 Å²	146.8	74%	0.741	75%	0.75	S	S	*	*			trans	-78.1	18	175	58.6	0	0	0	0	114.6
66	R	30.3	Very low	31.6	Very low	236 Å²	236	146.9 Å²	146.9	89%	0.891	76%	0.762	S	S	*	*	S	Bend	trans	-128.7	48.1	-179.2	-150.8	-177.5	-170.6	169	2.4	114	F64	F64-R66 PolarHBondContact O-N 2.89Å; F64-R66 VanDerWaalsContact O-N 3.12Å
67	V	32.2	Very low	30.9	Very low	141 Å²	141	143.6 Å²	143.6	86%	0.855	76%	0.759	S	S	*	*			trans	-148.6	95.9	148	-172.2	0	0	0	0	108.6
68	K	26.9	Very low	30.5	Very low	217 Å²	217	140.8 Å²	140.8	94%	0.943	76%	0.763	S	S	*	*			trans	-146	115.3	157.4	-139.3	-174.1	-173.5	-171.9	0	106.9
69	G	25.7	Very low	30	Very low	70 Å²	70	141.6 Å²	141.6	72%	0.722	77%	0.773	S	S	*	*			trans	166.5	116.6	178.3	0	0	0	0	0	109
70	D	28.6	Very low	29.5	Very low	161 Å²	161	140.5 Å²	140.5	86%	0.861	77%	0.774	S	S	*	*			trans	-48	147	179.7	-63	-56.1	0	0	0	113.5
71	E	26.3	Very low	29	Very low	192 Å²	192	145.9 Å²	145.9	90%	0.897	79%	0.788	S	S	*	*			trans	-170.2	127	132.7	-105.3	167.9	-159.2	0	0	111.3
72	T	35.4	Very low	28.6	Very low	150 Å²	150	152.7 Å²	152.7	92%	0.92	81%	0.807	S	S	*	*			trans	-65.4	126	167	33.1	0	0	0	0	109.9
73	G	26.1	Very low	28.7	Very low	59 Å²	59	153.3 Å²	153.3	61%	0.608	82%	0.815	S	S	*	*			trans	-163.2	108.1	176.2	0	0	0	0	0	113	W75	G73-W75 PolarHBondContact O-N 3.09Å
74	N	27.6	Very low	28.4	Very low	159 Å²	159	152.9 Å²	152.9	85%	0.85	82%	0.818	S	S	*	*			trans	-51.4	128.3	165.3	-89.2	-20.5	0	0	0	111.1
75	W	26.4	Very low	28.1	Very low	243 Å²	243	147.1 Å²	147.1	92%	0.92	81%	0.809	S	S	*	*			trans	-137.4	95.2	159.2	-76.6	97.5	0	0	0	110.3	G73	G73-W75 PolarHBondContact O-N 3.09Å
76	T	30.5	Very low	28.1	Very low	141 Å²	141	147.4 Å²	147.4	87%	0.865	81%	0.811	S	S	*	*			trans	-79.8	119.5	155	44.5	0	0	0	0	108.5
77	G	26.1	Very low	28.1	Very low	59 Å²	59	144.6 Å²	144.6	61%	0.608	81%	0.813	S	S	*	*			trans	171.9	133	170.3	0	0	0	0	0	112.4
78	P	28.8	Very low	27.9	Very low	126 Å²	126	147.4 Å²	147.4	82%	0.818	81%	0.814	S	S	*	*			trans	-80.3	127.9	-176.5	32.4	-30.4	0	0	0	110.2
79	V	26.7	Very low	28.1	Very low	117 Å²	117	143 Å²	143	71%	0.709	81%	0.807	S	S	*	*			trans	-98.3	105.9	175.6	-178	0	0	0	0	108.8	F81	V79-F81 HydrophobicContact CG1-CD2 4.26Å; V79-F81 HydrophobicContact CG1-CE2 3.97Å
80	N	22.9	Very low	28.4	Very low	146 Å²	146	144 Å²	144	78%	0.781	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-73.1	125.5	165.9	-78.2	-23.8	0	0	0	109.3
81	F	26.9	Very low	28.9	Very low	192 Å²	192	148 Å²	148	84%	0.842	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-92.1	122.8	169.7	-86.4	-90	0	0	0	109.8	V79	V79-F81 HydrophobicContact CG1-CD2 4.26Å; V79-F81 HydrophobicContact CG1-CE2 3.97Å
82	F	24.9	Very low	29.4	Very low	202 Å²	202	145.8 Å²	145.8	89%	0.886	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-72.1	138.4	166.3	-82.6	-87.6	0	0	0	110.3
83	D	32.3	Very low	29.7	Very low	160 Å²	160	142.9 Å²	142.9	86%	0.856	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-72	123.6	175	-160.3	12.5	0	0	0	109.4
84	D	26.8	Very low	30.8	Very low	155 Å²	155	149 Å²	149	83%	0.829	81%	0.811	S	S	*	*			trans	-127.6	110	161.6	-168.5	15.7	0	0	0	108.7
85	G	30.2	Very low	32.2	Very low	57 Å²	57	147.3 Å²	147.3	59%	0.588	80%	0.796	S	S	*	*			trans	-80.5	127.9	-177.1	0	0	0	0	0	111.3
86	S	28.6	Very low	33.6	Very low	113 Å²	113	144.2 Å²	144.2	79%	0.79	78%	0.784	S	S	*	*			trans	170.2	89.5	137.3	44	0	0	0	0	111.1
87	L	30.7	Very low	34.8	Very low	177 Å²	177	139.3 Å²	139.3	93%	0.927	75%	0.75	S	S	*	*			trans	-118.1	112.4	163.4	-93.3	144.3	0	0	0	109.2
88	K	27.5	Very low	36.2	Very low	199 Å²	199	142.5 Å²	142.5	87%	0.865	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-54.3	142	173.3	-68.4	178.7	177.6	177.6	0	110.3	A90	K88-A90 PolarHBondContact O-N 3.36Å
89	P	31.5	Very low	37.5	Very low	124 Å²	124	141.8 Å²	141.8	81%	0.805	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-71.8	125.5	-173.5	27.3	-31.7	0	0	0	111.1	R91	P89-R91 PolarHBondContact O-N 3.14Å
90	A	32	Very low	38.4	Very low	91 Å²	91	144 Å²	144	75%	0.752	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-67.7	124	168.2	0	0	0	0	0	109.5	K88 N92	K88-A90 PolarHBondContact O-N 3.36Å; A90-N92 PolarHBondContact O-N 3.49Å; A90-N92 VanDerWaalsContact O-N 3.08Å
91	R	37.9	Very low	39.9	Very low	245 Å²	245	142.6 Å²	142.6	93%	0.925	73%	0.73	S	S	*	*	S	Bend	trans	-73.8	92.1	178.7	-141.5	179.9	179.2	-175.2	-1.4	109.3	P89	P89-R91 PolarHBondContact O-N 3.14Å
92	N	38.2	Very low	41.3	Very low	147 Å²	147	141.9 Å²	141.9	79%	0.786	74%	0.735	S	S	*	*	S	Bend	trans	173.5	130.8	146.3	-91.6	-8.9	0	0	0	108.9	A90 R94	A90-N92 PolarHBondContact O-N 3.49Å; A90-N92 VanDerWaalsContact O-N 3.08Å; N92-R94 PolarHBondContact O-N 3.33Å
93	G	41.7	Very low	43.3	Very low	89 Å²	89	134.4 Å²	134.4	92%	0.918	72%	0.715	S	S	*	*			trans	-59.7	86.8	-168.9	0	0	0	0	0	114.8	K95	G93-K95 PolarHBondContact O-N 2.99Å
94	R	49.6	Very low	45.6	Very low	187 Å²	187	129.1 Å²	129.1	71%	0.706	69%	0.691	S	S	*	*			trans	-77.9	109.4	165.7	-79	177.8	164.1	166.8	-8	108.6	N92 R96 E135	N92-R94 PolarHBondContact O-N 3.33Å; R94-R96 PolarHBondContact O-N 2.58Å; R94-R96 VanDerWaalsContact O-N 3.1Å; R94-E135 IonicContact NE-OE1 3.26Å; R94-E135 IonicContact NH2-OE2 3.85Å
95	K	55.1	Low	48.6	Very low	124 Å²	124	124.2 Å²	124.2	54%	0.539	66%	0.662	S	S	.	*			trans	-62.4	109.2	163.9	-77.2	178	174.9	174.1	0	107.3	G93 Y97 E114	G93-K95 PolarHBondContact O-N 2.99Å; K95-Y97 VanDerWaalsContact C-N 3.27Å; K95-Y97 HydrophobicContact CB-CD2 3.9Å; K95-Y97 HydrophobicContact CB-CE2 3.44Å; K95-Y97 VanDerWaalsContact CB-CE2 3.44Å; K95-Y97 HydrophobicContact CD-CE1 4.33Å; K95-Y97 HydrophobicContact CD-CE2 4.07Å; K95-Y97 WeakPolarHBondContact CD-OH 3.1Å; K95-Y97 HydrophobicContact CG-CE2 4.41Å; K95-Y97 WeakPolarHBondContact O-CD2 3.07Å; K95-Y97 PolarHBondContact O-N 3.37Å; K95-E114 VanDerWaalsContact NZ-CD 3.26Å; K95-E114 IonicContact NZ-OE1 3.95Å; K95-E114 PolarHBondContact NZ-OE1 2.7Å; K95-E114 VanDerWaalsContact NZ-OE1 3.15Å; K95-E114 IonicContact NZ-OE2 3.15Å; K95-E114 PolarHBondContact NZ-OE2 3.33Å
96	R	56.3	Low	51.6	Low	177 Å²	177	125.8 Å²	125.8	67%	0.668	65%	0.654	S	S	*	*			trans	-78.1	80.8	174.1	-73.9	-174.2	174.1	165	-7.6	108.8	R94 L98 E99	R94-R96 PolarHBondContact O-N 2.58Å; R94-R96 VanDerWaalsContact O-N 3.1Å; R96-L98 PolarHBondContact O-N 3.06Å; R96-L98 VanDerWaalsContact O-N 3.1Å; R96-E99 HydrophobicContact CB-CB 4.37Å; R96-E99 HydrophobicContact CB-CG 4.14Å; R96-E99 WeakPolarHBondContact CD-OE1 3.33Å; R96-E99 WeakPolarHBondContact CD-OE2 3.19Å; R96-E99 IonicContact CZ-OE1 2.71Å; R96-E99 IonicContact CZ-OE2 3.49Å; R96-E99 IonicContact NE-OE1 3.55Å; R96-E99 PolarHBondContact NE-OE1 3.2Å; R96-E99 IonicContact NE-OE2 3.17Å; R96-E99 VanDerWaalsContact NH1-CD 3.34Å; R96-E99 IonicContact NH1-OE1 2.68Å; R96-E99 PolarHBondContact NH1-OE1 3.35Å; R96-E99 IonicContact NH1-OE2 3.42Å; R96-E99 PolarHBondContact NH1-OE2 2.85Å; R96-E99 PolarHBondContact O-N 3.2Å
97	Y	56	Low	54.7	Low	38 Å²	38	120.9 Å²	120.9	15%	0.149	62%	0.619	C	S	.	*	T	Hydrogen-bonded Turn	trans	-61.4	-14.8	176.2	-67.5	-83.9	0	0	0	113.3	K95 A111 E114 L115	K95-Y97 VanDerWaalsContact C-N 3.27Å; K95-Y97 HydrophobicContact CB-CD2 3.9Å; K95-Y97 HydrophobicContact CB-CE2 3.44Å; K95-Y97 VanDerWaalsContact CB-CE2 3.44Å; K95-Y97 HydrophobicContact CD-CE1 4.33Å; K95-Y97 HydrophobicContact CD-CE2 4.07Å; K95-Y97 WeakPolarHBondContact CD-OH 3.1Å; K95-Y97 HydrophobicContact CG-CE2 4.41Å; K95-Y97 WeakPolarHBondContact O-CD2 3.07Å; K95-Y97 PolarHBondContact O-N 3.37Å; Y97-A111 HydrophobicContact CE1-CB 4.48Å; Y97-E114 PolarHBondContact OH-OE2 3.18Å; Y97-L115 HydrophobicContact CD1-CD1 4.37Å; Y97-L115 HydrophobicContact CD2-CD2 3.82Å; Y97-L115 HydrophobicContact CE1-CD2 4.33Å; Y97-L115 HydrophobicContact CE1-CG 4.32Å; Y97-L115 HydrophobicContact CE2-CD2 3.62Å; Y97-L115 HydrophobicContact CE2-CG 4.44Å; Y97-L115 HydrophobicContact CG-CD2 4.27Å
98	L	56.6	Low	57.7	Low	126 Å²	126	116.6 Å²	116.6	66%	0.66	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.8	-8.1	-174.1	-76.3	152.7	0	0	0	114.8	R96	R96-L98 PolarHBondContact O-N 3.06Å; R96-L98 VanDerWaalsContact O-N 3.1Å
99	E	54.4	Low	60.9	Low	112 Å²	112	108.6 Å²	108.6	52%	0.523	57%	0.566	S	S	.	*	S	Bend	trans	-86.2	-15.1	-169.6	-86.1	-175	167.7	0	0	115.8	R96	R96-E99 HydrophobicContact CB-CB 4.37Å; R96-E99 HydrophobicContact CB-CG 4.14Å; R96-E99 WeakPolarHBondContact CD-OE1 3.33Å; R96-E99 WeakPolarHBondContact CD-OE2 3.19Å; R96-E99 IonicContact CZ-OE1 2.71Å; R96-E99 IonicContact CZ-OE2 3.49Å; R96-E99 IonicContact NE-OE1 3.55Å; R96-E99 PolarHBondContact NE-OE1 3.2Å; R96-E99 IonicContact NE-OE2 3.17Å; R96-E99 VanDerWaalsContact NH1-CD 3.34Å; R96-E99 IonicContact NH1-OE1 2.68Å; R96-E99 PolarHBondContact NH1-OE1 3.35Å; R96-E99 IonicContact NH1-OE2 3.42Å; R96-E99 PolarHBondContact NH1-OE2 2.85Å; R96-E99 PolarHBondContact O-N 3.2Å
100	N	46.4	Very low	63.9	Low	162 Å²	162	107.7 Å²	107.7	87%	0.866	56%	0.558	S	S	*	*	S	Bend	trans	-148.4	40.9	-167.4	-84.2	-26.9	0	0	0	115.7
101	Y	53.9	Low	66.9	Low	117 Å²	117	104.4 Å²	104.4	46%	0.459	53%	0.531	S	S	.	.			trans	-141.6	124.5	-179	-163.6	-122.7	0	0	0	114.8	G103 S104 F105	Y101-G103 VanDerWaalsContact CD1-C 3.46Å; Y101-G103 WeakPolarHBondContact CD1-O 3.25Å; Y101-G103 WeakPolarHBondContact CE1-O 3.43Å; Y101-S104 PolarHBondContact OH-O 2.73Å; Y101-F105 AromaticContact CD1-CD2 3.63Å; Y101-F105 HydrophobicContact CD1-CD2 3.63Å; Y101-F105 HydrophobicContact CD1-CE1 4.37Å; Y101-F105 AromaticContact CD1-CE2 3.34Å; Y101-F105 HydrophobicContact CD1-CE2 3.34Å; Y101-F105 HydrophobicContact CD1-CG 4.28Å; Y101-F105 AromaticContact CD1-CZ 3.75Å; Y101-F105 HydrophobicContact CD1-CZ 3.75Å; Y101-F105 HydrophobicContact CD2-CE1 4.17Å; Y101-F105 HydrophobicContact CD2-CE2 4.28Å; Y101-F105 AromaticContact CD2-CZ 3.83Å; Y101-F105 HydrophobicContact CD2-CZ 3.83Å; Y101-F105 HydrophobicContact CE1-CB 4.43Å; Y101-F105 HydrophobicContact CE1-CD1 4.02Å; Y101-F105 AromaticContact CE1-CD2 3.52Å; Y101-F105 HydrophobicContact CE1-CD2 3.52Å; Y101-F105 HydrophobicContact CE1-CE1 4.13Å; Y101-F105 AromaticContact CE1-CE2 3.66Å; Y101-F105 HydrophobicContact CE1-CE2 3.66Å; Y101-F105 AromaticContact CE1-CG 3.72Å; Y101-F105 HydrophobicContact CE1-CG 3.72Å; Y101-F105 AromaticContact CE1-CZ 3.96Å; Y101-F105 HydrophobicContact CE1-CZ 3.96Å; Y101-F105 HydrophobicContact CE2-CD1 4.39Å; Y101-F105 AromaticContact CE2-CE1 3.98Å; Y101-F105 HydrophobicContact CE2-CE1 3.98Å; Y101-F105 HydrophobicContact CE2-CZ 4.1Å; Y101-F105 HydrophobicContact CG-CD2 4.4Å; Y101-F105 HydrophobicContact CG-CE1 4.39Å; Y101-F105 AromaticContact CG-CE2 3.69Å; Y101-F105 HydrophobicContact CG-CE2 3.69Å; Y101-F105 AromaticContact CG-CZ 3.69Å; Y101-F105 HydrophobicContact CG-CZ 3.69Å; Y101-F105 AromaticContact CZ-CD1 3.95Å; Y101-F105 AromaticContact CZ-CE1 3.99Å
102	D	55.8	Low	69.7	Low	177 Å²	177	92.8 Å²	92.8	95%	0.947	49%	0.488	S	S	*	.	S	Bend	trans	-98.6	20.7	-175.7	-165.1	25.2	0	0	0	112.4
103	G	67.3	Low	72.4	Confident	45 Å²	45	92.7 Å²	92.7	46%	0.464	48%	0.476	S	S	.	.	S	Bend	trans	-154.5	-168.8	-176.8	0	0	0	0	0	113.2	Y101	Y101-G103 VanDerWaalsContact CD1-C 3.46Å; Y101-G103 WeakPolarHBondContact CD1-O 3.25Å; Y101-G103 WeakPolarHBondContact CE1-O 3.43Å
104	S	80.6	Confident	75.1	Confident	49 Å²	49	92 Å²	92	34%	0.343	45%	0.449	S	S	.	.			trans	-113.1	129	172.7	58.2	0	0	0	0	110.3	Y101 I142 K144	Y101-S104 PolarHBondContact OH-O 2.73Å; S104-I142 CarbonylContact C-O 3.6Å; S104-I142 VanDerWaalsContact CA-O 3.23Å; S104-I142 WeakPolarHBondContact CA-O 3.48Å; S104-K144 WeakPolarHBondContact OG-CE 3.2Å; S104-K144 WeakPolarHBondContact OG-CG 3.3Å
105	F	89.9	Confident	77.3	Confident	52 Å²	52	83.2 Å²	83.2	23%	0.228	42%	0.416	C	S	.	.	B	Isolated β-bridge	trans	-70.2	144.2	-176.8	-73.5	-80.2	0	0	0	110.5	Y101 C112 I142 C143 K144	Y101-F105 AromaticContact CD1-CD2 3.63Å; Y101-F105 HydrophobicContact CD1-CD2 3.63Å; Y101-F105 HydrophobicContact CD1-CE1 4.37Å; Y101-F105 AromaticContact CD1-CE2 3.34Å; Y101-F105 HydrophobicContact CD1-CE2 3.34Å; Y101-F105 HydrophobicContact CD1-CG 4.28Å; Y101-F105 AromaticContact CD1-CZ 3.75Å; Y101-F105 HydrophobicContact CD1-CZ 3.75Å; Y101-F105 HydrophobicContact CD2-CE1 4.17Å; Y101-F105 HydrophobicContact CD2-CE2 4.28Å; Y101-F105 AromaticContact CD2-CZ 3.83Å; Y101-F105 HydrophobicContact CD2-CZ 3.83Å; Y101-F105 HydrophobicContact CE1-CB 4.43Å; Y101-F105 HydrophobicContact CE1-CD1 4.02Å; Y101-F105 AromaticContact CE1-CD2 3.52Å; Y101-F105 HydrophobicContact CE1-CD2 3.52Å; Y101-F105 HydrophobicContact CE1-CE1 4.13Å; Y101-F105 AromaticContact CE1-CE2 3.66Å; Y101-F105 HydrophobicContact CE1-CE2 3.66Å; Y101-F105 AromaticContact CE1-CG 3.72Å; Y101-F105 HydrophobicContact CE1-CG 3.72Å; Y101-F105 AromaticContact CE1-CZ 3.96Å; Y101-F105 HydrophobicContact CE1-CZ 3.96Å; Y101-F105 HydrophobicContact CE2-CD1 4.39Å; Y101-F105 AromaticContact CE2-CE1 3.98Å; Y101-F105 HydrophobicContact CE2-CE1 3.98Å; Y101-F105 HydrophobicContact CE2-CZ 4.1Å; Y101-F105 HydrophobicContact CG-CD2 4.4Å; Y101-F105 HydrophobicContact CG-CE1 4.39Å; Y101-F105 AromaticContact CG-CE2 3.69Å; Y101-F105 HydrophobicContact CG-CE2 3.69Å; Y101-F105 AromaticContact CG-CZ 3.69Å; Y101-F105 HydrophobicContact CG-CZ 3.69Å; Y101-F105 AromaticContact CZ-CD1 3.95Å; Y101-F105 AromaticContact CZ-CE1 3.99Å; F105-C112 WeakPolarHBondContact CB-SG 3.27Å; F105-I142 HydrophobicContact CD2-CD1 3.79Å; F105-I142 HydrophobicContact CD2-CG1 3.88Å; F105-I142 HydrophobicContact CE2-CD1 3.89Å; F105-I142 HydrophobicContact CE2-CG1 4.45Å; F105-I142 PolarHBondContact N-O 3.38Å; F105-C143 CarbonylContact O-C 3.49Å; F105-C143 WeakPolarHBondContact O-CA 3.47Å; F105-K144 PolarHBondContact O-N 3.42Å
106	E	94.2	Very high	79.3	Confident	90 Å²	90	78.9 Å²	78.9	42%	0.421	40%	0.396	S	S	.	.			trans	-65.5	143.9	177	-62.9	-56.7	148.6	0	0	111.7	N108 S109 C112 K144	E106-N108 PolarHBondContact O-N 3.3Å; E106-N108 VanDerWaalsContact O-N 3.08Å; E106-S109 VanDerWaalsContact O-CB 3.24Å; E106-S109 WeakPolarHBondContact O-CB 3.35Å; E106-S109 PolarHBondContact O-N 3.41Å; E106-S109 PolarHBondContact O-OG 2.94Å; E106-C112 PolarHBondContact O-SG 2.81Å; E106-C112 VanDerWaalsContact O-SG 3.38Å; E106-K144 IonicContact OE1-NZ 2.7Å; E106-K144 PolarHBondContact OE1-NZ 3.41Å; E106-K144 IonicContact OE2-NZ 3.87Å
107	F	93.1	Very high	81.2	Confident	11 Å²	11	75.2 Å²	75.2	5%	0.048	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.7	-38.6	-174.9	-179.8	-105.6	0	0	0	113.3	C112 R116 K144 E146	F107-C112 WeakPolarHBondContact O-CB 3.47Å; F107-R116 PolarHBondContact O-NH2 2.92Å; F107-K144 WeakPolarHBondContact CA-O 3.37Å; F107-K144 WeakPolarHBondContact CB-O 3.21Å; F107-E146 HydrophobicContact CB-CB 3.84Å; F107-E146 HydrophobicContact CB-CG 3.76Å; F107-E146 HydrophobicContact CD1-CB 3.98Å; F107-E146 HydrophobicContact CD2-CB 4.31Å; F107-E146 HydrophobicContact CG-CB 3.8Å; F107-E146 HydrophobicContact CG-CG 4.3Å
108	N	93.4	Very high	83.2	Confident	87 Å²	87	76.4 Å²	76.4	47%	0.465	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	3.5	-177.2	-75.4	-49.5	0	0	0	114.8	E106 R113	E106-N108 PolarHBondContact O-N 3.3Å; E106-N108 VanDerWaalsContact O-N 3.08Å; N108-R113 PolarHBondContact O-NE 3.44Å; N108-R113 VanDerWaalsContact O-NE 3.1Å
109	S	95.2	Very high	85.1	Confident	31 Å²	31	70.5 Å²	70.5	22%	0.217	36%	0.363	C	S	.	.	S	Bend	trans	-62.5	153.6	174.6	68.6	0	0	0	0	112	E106 A111 C112 R113	E106-S109 VanDerWaalsContact O-CB 3.24Å; E106-S109 WeakPolarHBondContact O-CB 3.35Å; E106-S109 PolarHBondContact O-N 3.41Å; E106-S109 PolarHBondContact O-OG 2.94Å; S109-A111 VanDerWaalsContact C-N 3.29Å; S109-A111 PolarHBondContact O-N 3.32Å; S109-C112 PolarHBondContact O-N 3.38Å; S109-C112 WeakPolarHBondContact OG-CB 3.28Å; S109-C112 PolarHBondContact OG-N 3.02Å; S109-C112 PolarHBondContact OG-SG 3.23Å; S109-R113 WeakPolarHBondContact O-CG 3.29Å; S109-R113 PolarHBondContact O-N 2.93Å
110	T	95.3	Very high	87.1	Confident	105 Å²	105	66.9 Å²	66.9	64%	0.644	35%	0.346	S	S	*	.	H	α-helix	trans	-56.6	-43.8	178	-51.7	0	0	0	0	111.5	C112 R113 E114	T110-C112 PolarHBondContact O-N 3.13Å; T110-R113 PolarHBondContact O-N 2.92Å; T110-E114 WeakPolarHBondContact O-CG 3.37Å; T110-E114 PolarHBondContact O-N 3.15Å
111	A	94.6	Very high	89.4	Confident	22 Å²	22	63.7 Å²	63.7	18%	0.182	33%	0.329	C	S	.	.	H	α-helix	trans	-59.6	-46.6	177.8	0	0	0	0	0	112.1	Y97 S109 R113 E114 L115	Y97-A111 HydrophobicContact CE1-CB 4.48Å; S109-A111 VanDerWaalsContact C-N 3.29Å; S109-A111 PolarHBondContact O-N 3.32Å; A111-R113 VanDerWaalsContact C-N 3.35Å; A111-R113 PolarHBondContact O-N 3.34Å; A111-E114 PolarHBondContact O-N 3.26Å; A111-L115 WeakPolarHBondContact O-CG 3.35Å; A111-L115 PolarHBondContact O-N 3.3Å
112	C	95.8	Very high	91.4	Very high	1 Å²	1	58.8 Å²	58.8	1%	0.007	31%	0.311	C	S	.	.	H	α-helix	trans	-68.6	-32.4	178	-68.4	0	0	0	0	112.9	F105 E106 F107 S109 T110 R116 C143	F105-C112 WeakPolarHBondContact CB-SG 3.27Å; E106-C112 PolarHBondContact O-SG 2.81Å; E106-C112 VanDerWaalsContact O-SG 3.38Å; F107-C112 WeakPolarHBondContact O-CB 3.47Å; S109-C112 PolarHBondContact O-N 3.38Å; S109-C112 WeakPolarHBondContact OG-CB 3.28Å; S109-C112 PolarHBondContact OG-N 3.02Å; S109-C112 PolarHBondContact OG-SG 3.23Å; T110-C112 PolarHBondContact O-N 3.13Å; C112-R116 VanDerWaalsContact O-CB 3.28Å; C112-R116 WeakPolarHBondContact O-CB 3.48Å; C112-R116 WeakPolarHBondContact O-CG 3.4Å; C112-R116 PolarHBondContact O-N 2.89Å; C112-R116 PolarHBondContact O-NE 2.7Å; C112-C143 WeakPolarHBondContact CA-SG 3.37Å; C112-C143 HydrophobicContact CB-CB 3.9Å; C112-C143 WeakPolarHBondContact CB-SG 3.47Å; C112-C143 WeakPolarHBondContact SG-CB 3.35Å; C112-C143 CovalentContact SG-SG 2.03Å; C112-C143 PolarHBondContact SG-SG 3.16Å
113	R	96.1	Very high	93.1	Very high	144 Å²	144	57 Å²	57	54%	0.543	30%	0.295	S	S	.	.	H	α-helix	trans	-64	-42.2	172.4	-71.5	177.2	-175.2	-179.8	1.7	111.8	N108 S109 T110 A111 R116 Q117	N108-R113 PolarHBondContact O-NE 3.44Å; N108-R113 VanDerWaalsContact O-NE 3.1Å; S109-R113 WeakPolarHBondContact O-CG 3.29Å; S109-R113 PolarHBondContact O-N 2.93Å; T110-R113 PolarHBondContact O-N 2.92Å; A111-R113 VanDerWaalsContact C-N 3.35Å; A111-R113 PolarHBondContact O-N 3.34Å; R113-R116 PolarHBondContact O-N 2.97Å; R113-Q117 WeakPolarHBondContact O-CB 3.49Å; R113-Q117 PolarHBondContact O-N 2.95Å
114	E	96.7	Very high	94.3	Very high	76 Å²	76	57.6 Å²	57.6	36%	0.355	29%	0.29	S	S	.	.	H	α-helix	trans	-61.5	-51.2	175.4	-69.5	-179.7	163.5	0	0	111.6	K95 Y97 T110 A111 R116 Q117 E118	K95-E114 VanDerWaalsContact NZ-CD 3.26Å; K95-E114 IonicContact NZ-OE1 3.95Å; K95-E114 PolarHBondContact NZ-OE1 2.7Å; K95-E114 VanDerWaalsContact NZ-OE1 3.15Å; K95-E114 IonicContact NZ-OE2 3.15Å; K95-E114 PolarHBondContact NZ-OE2 3.33Å; Y97-E114 PolarHBondContact OH-OE2 3.18Å; T110-E114 WeakPolarHBondContact O-CG 3.37Å; T110-E114 PolarHBondContact O-N 3.15Å; A111-E114 PolarHBondContact O-N 3.26Å; E114-R116 VanDerWaalsContact C-N 3.29Å; E114-R116 PolarHBondContact O-N 3.34Å; E114-Q117 WeakPolarHBondContact O-CA 3.46Å; E114-Q117 WeakPolarHBondContact O-CB 3.4Å; E114-Q117 PolarHBondContact O-N 2.89Å; E114-E118 PolarHBondContact O-N 3.08Å
115	L	96.8	Very high	94.9	Very high	1 Å²	1	56.3 Å²	56.3	1%	0.005	28%	0.279	C	S	.	.	H	α-helix	trans	-60.3	-39	179.2	-70.8	173.1	0	0	0	112.5	Y97 A111 E118 I119 N139 L140 I142	Y97-L115 HydrophobicContact CD1-CD1 4.37Å; Y97-L115 HydrophobicContact CD2-CD2 3.82Å; Y97-L115 HydrophobicContact CE1-CD2 4.33Å; Y97-L115 HydrophobicContact CE1-CG 4.32Å; Y97-L115 HydrophobicContact CE2-CD2 3.62Å; Y97-L115 HydrophobicContact CE2-CG 4.44Å; Y97-L115 HydrophobicContact CG-CD2 4.27Å; A111-L115 WeakPolarHBondContact O-CG 3.35Å; A111-L115 PolarHBondContact O-N 3.3Å; L115-E118 PolarHBondContact O-N 3.13Å; L115-I119 PolarHBondContact O-N 2.89Å; L115-N139 HydrophobicContact CD2-CB 3.82Å; L115-L140 HydrophobicContact CB-CD1 4.21Å; L115-I142 HydrophobicContact CD1-CD1 3.73Å; L115-I142 HydrophobicContact CD1-CG1 4.09Å
116	R	97.2	Very high	94.9	Very high	33 Å²	33	59.3 Å²	59.3	13%	0.125	30%	0.302	C	S	.	.	H	α-helix	trans	-64.5	-43.2	173.1	-75.2	-169.8	-75	158.7	-10	111.5	F107 C112 R113 E114 E118 I119 M120 L140 T414	F107-R116 PolarHBondContact O-NH2 2.92Å; C112-R116 VanDerWaalsContact O-CB 3.28Å; C112-R116 WeakPolarHBondContact O-CB 3.48Å; C112-R116 WeakPolarHBondContact O-CG 3.4Å; C112-R116 PolarHBondContact O-N 2.89Å; C112-R116 PolarHBondContact O-NE 2.7Å; R113-R116 PolarHBondContact O-N 2.97Å; E114-R116 VanDerWaalsContact C-N 3.29Å; E114-R116 PolarHBondContact O-N 3.34Å; R116-E118 VanDerWaalsContact C-N 3.31Å; R116-E118 PolarHBondContact O-N 3.25Å; R116-I119 PolarHBondContact O-N 2.88Å; R116-M120 WeakPolarHBondContact O-CG 3Å; R116-M120 PolarHBondContact O-N 3.36Å; R116-L140 HydrophobicContact CG-CD1 3.53Å; R116-T414 HydrophobicContact CB-CG2 3.49Å; R116-T414 VanDerWaalsContact CB-CG2 3.49Å; R116-T414 WeakPolarHBondContact CD-O 3.33Å; R116-T414 HydrophobicContact CG-CG2 3.71Å; R116-T414 VanDerWaalsContact O-CG2 3.23Å; R116-T414 WeakPolarHBondContact O-CG2 3.33Å
117	Q	97.2	Very high	94.8	Very high	101 Å²	101	62.5 Å²	62.5	47%	0.472	32%	0.318	S	S	.	.	H	α-helix	trans	-61.8	-40.3	178.1	-169.2	60.8	43.4	0	0	111.5	R113 E114 I119 M120 D121	R113-Q117 WeakPolarHBondContact O-CB 3.49Å; R113-Q117 PolarHBondContact O-N 2.95Å; E114-Q117 WeakPolarHBondContact O-CA 3.46Å; E114-Q117 WeakPolarHBondContact O-CB 3.4Å; E114-Q117 PolarHBondContact O-N 2.89Å; Q117-I119 VanDerWaalsContact C-N 3.3Å; Q117-I119 PolarHBondContact O-N 3.47Å; Q117-M120 CarbonylContact O-C 3.56Å; Q117-M120 PolarHBondContact O-N 2.53Å; Q117-D121 PolarHBondContact NE2-OD1 2.98Å; Q117-D121 VanDerWaalsContact O-CG 3.23Å; Q117-D121 PolarHBondContact O-N 2.84Å
118	E	96.4	Very high	94.8	Very high	63 Å²	63	62.7 Å²	62.7	29%	0.294	32%	0.32	S	S	.	.	H	α-helix	trans	-55.7	-44.4	174.5	-70.2	178	-168.7	0	0	111.6	E114 L115 R116 R136	E114-E118 PolarHBondContact O-N 3.08Å; L115-E118 PolarHBondContact O-N 3.13Å; R116-E118 VanDerWaalsContact C-N 3.31Å; R116-E118 PolarHBondContact O-N 3.25Å; E118-R136 PolarHBondContact O-NH1 2.7Å
119	I	96.6	Very high	94.8	Very high	1 Å²	1	66 Å²	66	1%	0.005	33%	0.33	C	S	.	.	H	α-helix	trans	-66.7	-45.1	174.8	-71	168.6	0	0	0	110.6	L115 R116 Q117 D121 V122 R136 W137 L140 I410 H411 T414	L115-I119 PolarHBondContact O-N 2.89Å; R116-I119 PolarHBondContact O-N 2.88Å; Q117-I119 VanDerWaalsContact C-N 3.3Å; Q117-I119 PolarHBondContact O-N 3.47Å; I119-D121 VanDerWaalsContact C-N 3.26Å; I119-D121 PolarHBondContact O-N 3.14Å; I119-V122 PolarHBondContact O-N 3.34Å; I119-V122 VanDerWaalsContact O-N 3.16Å; I119-R136 HydrophobicContact CD1-CB 4.46Å; I119-R136 HydrophobicContact CG1-CB 3.82Å; I119-W137 HydrophobicContact CD1-CE3 4.46Å; I119-L140 HydrophobicContact CD1-CB 3.83Å; I119-L140 HydrophobicContact CD1-CD2 3.54Å; I119-L140 HydrophobicContact CD1-CG 4.25Å; I119-I410 HydrophobicContact CG2-CG2 3.64Å; I119-H411 PolarHBondContact O-CE1 3.1Å; I119-H411 VanDerWaalsContact O-CE1 3.32Å; I119-T414 HydrophobicContact CB-CG2 4.21Å; I119-T414 HydrophobicContact CG2-CG2 4.29Å; I119-T414 WeakPolarHBondContact CG2-OG1 3.46Å
120	M	96	Very high	94.7	Very high	37 Å²	37	67.7 Å²	67.7	18%	0.182	34%	0.34	C	S	.	.	H	α-helix	trans	-64.3	-26.6	-177.3	-70	-53.3	-63	0	0	114	R116 Q117 V122 K123 H411 T414 R415	R116-M120 WeakPolarHBondContact O-CG 3Å; R116-M120 PolarHBondContact O-N 3.36Å; Q117-M120 CarbonylContact O-C 3.56Å; Q117-M120 PolarHBondContact O-N 2.53Å; M120-V122 VanDerWaalsContact C-N 3.26Å; M120-V122 PolarHBondContact O-N 3.21Å; M120-K123 WeakPolarHBondContact O-CD 3.45Å; M120-K123 VanDerWaalsContact O-CE 3.27Å; M120-K123 WeakPolarHBondContact O-CE 3.43Å; M120-K123 PolarHBondContact O-NZ 2.89Å; M120-H411 HydrophobicContact SD-CB 4.33Å; M120-H411 PolarHBondContact SD-ND1 3.22Å; M120-T414 HydrophobicContact CG-CG2 3.66Å; M120-T414 HydrophobicContact SD-CG2 3.87Å; M120-R415 HydrophobicContact CE-CG 4Å; M120-R415 HydrophobicContact SD-CG 3.98Å
121	D	96	Very high	94.6	Very high	95 Å²	95	66.5 Å²	66.5	51%	0.508	34%	0.336	S	S	.	.	H	α-helix	trans	-70	-23.6	177.7	-73.3	-19	0	0	0	112.8	Q117 I119 K123	Q117-D121 PolarHBondContact NE2-OD1 2.98Å; Q117-D121 VanDerWaalsContact O-CG 3.23Å; Q117-D121 PolarHBondContact O-N 2.84Å; I119-D121 VanDerWaalsContact C-N 3.26Å; I119-D121 PolarHBondContact O-N 3.14Å; D121-K123 PolarHBondContact O-N 3.3Å; D121-K123 VanDerWaalsContact O-N 3.1Å
122	V	94.9	Very high	94.6	Very high	13 Å²	13	68.9 Å²	68.9	8%	0.079	34%	0.343	C	S	.	.			trans	-74.9	101.2	171.5	-173.3	0	0	0	0	108.3	I119 M120 V128 F407 H411	I119-V122 PolarHBondContact O-N 3.34Å; I119-V122 VanDerWaalsContact O-N 3.16Å; M120-V122 VanDerWaalsContact C-N 3.26Å; M120-V122 PolarHBondContact O-N 3.21Å; V122-V128 HydrophobicContact CG1-CB 3.74Å; V122-V128 HydrophobicContact CG1-CG1 3.6Å; V122-V128 HydrophobicContact CG1-CG2 4.48Å; V122-V128 HydrophobicContact CG2-CB 4.48Å; V122-V128 HydrophobicContact CG2-CG2 4.42Å; V122-F407 HydrophobicContact CB-CE2 4.43Å; V122-F407 HydrophobicContact CB-CZ 4.37Å; V122-F407 HydrophobicContact CG1-CE2 3.88Å; V122-F407 HydrophobicContact CG1-CZ 3.85Å; V122-F407 WeakPolarHBondContact O-CZ 2.99Å; V122-H411 PolarHBondContact O-CE1 3.28Å; V122-H411 PolarHBondContact O-NE2 2.95Å; V122-H411 VanDerWaalsContact O-NE2 3.09Å
123	K	93.1	Very high	94.5	Very high	140 Å²	140	68.9 Å²	68.9	61%	0.609	34%	0.343	S	S	*	.			trans	-86.7	-23.7	-178.7	-57.3	-54.5	-177.9	-171	0	114.2	M120 D121	M120-K123 WeakPolarHBondContact O-CD 3.45Å; M120-K123 VanDerWaalsContact O-CE 3.27Å; M120-K123 WeakPolarHBondContact O-CE 3.43Å; M120-K123 PolarHBondContact O-NZ 2.89Å; D121-K123 PolarHBondContact O-N 3.3Å; D121-K123 VanDerWaalsContact O-N 3.1Å
124	V	92.2	Very high	94.5	Very high	58 Å²	58	62.3 Å²	62.3	35%	0.352	32%	0.318	S	S	.	.			trans	-135.9	125.8	-173.6	-173.5	0	0	0	0	109.1	T126 M127	V124-T126 WeakPolarHBondContact CG1-OG1 3.47Å; V124-T126 PolarHBondContact O-N 3.28Å; V124-M127 HydrophobicContact CB-CB 4.47Å; V124-M127 HydrophobicContact CB-CG 3.99Å; V124-M127 HydrophobicContact CB-SD 3.93Å; V124-M127 HydrophobicContact CG1-CG 4.47Å; V124-M127 HydrophobicContact CG2-CE 4.38Å; V124-M127 HydrophobicContact CG2-SD 4.09Å; V124-M127 WeakPolarHBondContact O-CB 3.21Å; V124-M127 PolarHBondContact O-N 3.48Å
125	L	91.6	Very high	94.4	Very high	21 Å²	21	61.5 Å²	61.5	11%	0.11	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-56.3	-35.8	-177.7	178.9	61.8	0	0	0	113.1	M127 V128 L133 P403 F407	L125-M127 PolarHBondContact O-N 3.08Å; L125-V128 HydrophobicContact CD1-CG1 4.38Å; L125-V128 WeakPolarHBondContact O-CG1 3.45Å; L125-V128 PolarHBondContact O-N 3.49Å; L125-L133 HydrophobicContact CD1-CD2 3.79Å; L125-P403 HydrophobicContact CD2-CB 3.84Å; L125-F407 HydrophobicContact CB-CB 4.45Å; L125-F407 HydrophobicContact CB-CD1 4.14Å; L125-F407 HydrophobicContact CB-CD2 4.21Å; L125-F407 HydrophobicContact CB-CE1 4.43Å; L125-F407 HydrophobicContact CB-CE2 4.49Å; L125-F407 HydrophobicContact CB-CG 4.01Å; L125-F407 HydrophobicContact CD1-CB 4.31Å; L125-F407 HydrophobicContact CD1-CD2 3.79Å; L125-F407 HydrophobicContact CD1-CE2 4.37Å; L125-F407 HydrophobicContact CD1-CG 4.16Å; L125-F407 HydrophobicContact CD2-CB 4.3Å
126	T	91.6	Very high	94.4	Very high	116 Å²	116	63.9 Å²	63.9	71%	0.712	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-71.3	-12.9	-179.8	56.9	0	0	0	0	113.9	V124	V124-T126 WeakPolarHBondContact CG1-OG1 3.47Å; V124-T126 PolarHBondContact O-N 3.28Å
127	M	90.8	Very high	94.3	Very high	156 Å²	156	62.3 Å²	62.3	77%	0.768	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-89.5	-2.7	178.6	-65.7	-179.4	171.2	0	0	113.2	V124 L125	V124-M127 HydrophobicContact CB-CB 4.47Å; V124-M127 HydrophobicContact CB-CG 3.99Å; V124-M127 HydrophobicContact CB-SD 3.93Å; V124-M127 HydrophobicContact CG1-CG 4.47Å; V124-M127 HydrophobicContact CG2-CE 4.38Å; V124-M127 HydrophobicContact CG2-SD 4.09Å; V124-M127 WeakPolarHBondContact O-CB 3.21Å; V124-M127 PolarHBondContact O-N 3.48Å; L125-M127 PolarHBondContact O-N 3.08Å
128	V	93.2	Very high	94.2	Very high	15 Å²	15	62.2 Å²	62.2	9%	0.091	31%	0.313	C	S	.	.	S	Bend	trans	-123.1	141.4	178.8	66.7	0	0	0	0	110.5	V122 L125 E132 L133	V122-V128 HydrophobicContact CG1-CB 3.74Å; V122-V128 HydrophobicContact CG1-CG1 3.6Å; V122-V128 HydrophobicContact CG1-CG2 4.48Å; V122-V128 HydrophobicContact CG2-CB 4.48Å; V122-V128 HydrophobicContact CG2-CG2 4.42Å; L125-V128 HydrophobicContact CD1-CG1 4.38Å; L125-V128 WeakPolarHBondContact O-CG1 3.45Å; L125-V128 PolarHBondContact O-N 3.49Å; V128-E132 HydrophobicContact CG2-CB 3.96Å; V128-E132 HydrophobicContact CG2-CG 4.04Å; V128-L133 HydrophobicContact CG1-CB 4.22Å; V128-L133 HydrophobicContact CG2-CB 4.27Å
129	K	94.3	Very high	94.1	Very high	156 Å²	156	60.1 Å²	60.1	68%	0.678	30%	0.304	S	S	*	.			trans	-70.8	138.4	170.1	-69	180	-179	175.6	0	108.9	S131 E132 L133	K129-S131 PolarHBondContact O-N 3.47Å; K129-S131 VanDerWaalsContact O-N 3.12Å; K129-E132 HydrophobicContact CB-CB 4.29Å; K129-E132 WeakPolarHBondContact O-CB 3.16Å; K129-E132 PolarHBondContact O-N 2.85Å; K129-L133 PolarHBondContact O-N 2.88Å
130	T	92.4	Very high	94	Very high	68 Å²	68	60.4 Å²	60.4	42%	0.417	31%	0.305	S	S	.	.	H	α-helix	trans	-52	-40	177.6	-51.1	0	0	0	0	112.6	E132 L133 F134 F376	T130-E132 VanDerWaalsContact C-N 3.32Å; T130-E132 PolarHBondContact O-N 3.14Å; T130-L133 PolarHBondContact O-N 2.96Å; T130-F134 HydrophobicContact CG2-CD1 4.15Å; T130-F134 HydrophobicContact CG2-CD2 4.48Å; T130-F134 HydrophobicContact CG2-CE1 3.49Å; T130-F134 VanDerWaalsContact CG2-CE1 3.49Å; T130-F134 HydrophobicContact CG2-CE2 3.88Å; T130-F134 HydrophobicContact CG2-CZ 3.34Å; T130-F134 WeakPolarHBondContact O-CD1 3.47Å; T130-F134 VanDerWaalsContact O-CG 3.23Å; T130-F134 WeakPolarHBondContact O-CG 3.44Å; T130-F134 PolarHBondContact O-N 3.21Å; T130-F376 HydrophobicContact CG2-CD1 4.01Å; T130-F376 HydrophobicContact CG2-CE1 4.4Å
131	S	92.8	Very high	93.8	Very high	79 Å²	79	62.3 Å²	62.3	55%	0.552	31%	0.314	S	S	*	.	H	α-helix	trans	-62.4	-36.7	177.2	56.4	0	0	0	0	113.4	K129 F134 E135	K129-S131 PolarHBondContact O-N 3.47Å; K129-S131 VanDerWaalsContact O-N 3.12Å; S131-F134 PolarHBondContact O-N 3.37Å; S131-E135 PolarHBondContact O-N 2.84Å
132	E	94.8	Very high	93.6	Very high	72 Å²	72	59.2 Å²	59.2	34%	0.336	30%	0.297	S	S	.	.	H	α-helix	trans	-74.5	-40.5	178.9	-177.5	-179.2	174.6	0	0	110.9	V128 K129 T130 F134 E135 R136	V128-E132 HydrophobicContact CG2-CB 3.96Å; V128-E132 HydrophobicContact CG2-CG 4.04Å; K129-E132 HydrophobicContact CB-CB 4.29Å; K129-E132 WeakPolarHBondContact O-CB 3.16Å; K129-E132 PolarHBondContact O-N 2.85Å; T130-E132 VanDerWaalsContact C-N 3.32Å; T130-E132 PolarHBondContact O-N 3.14Å; E132-F134 VanDerWaalsContact C-N 3.26Å; E132-F134 PolarHBondContact O-N 3.15Å; E132-E135 PolarHBondContact O-N 3.4Å; E132-R136 WeakPolarHBondContact O-CG 3.31Å; E132-R136 PolarHBondContact O-N 2.99Å; E132-R136 IonicContact OE1-CZ 2.73Å; E132-R136 IonicContact OE1-NE 3.73Å; E132-R136 IonicContact OE1-NH2 3.49Å; E132-R136 PolarHBondContact OE1-NH2 2.66Å
133	L	95.1	Very high	93.6	Very high	1 Å²	1	59.3 Å²	59.3	1%	0.005	30%	0.298	C	S	.	.	H	α-helix	trans	-59.1	-40.6	172	179.9	62.5	0	0	0	111.2	L125 V128 K129 T130 R136 W137 F376 F407 I410	L125-L133 HydrophobicContact CD1-CD2 3.79Å; V128-L133 HydrophobicContact CG1-CB 4.22Å; V128-L133 HydrophobicContact CG2-CB 4.27Å; K129-L133 PolarHBondContact O-N 2.88Å; T130-L133 PolarHBondContact O-N 2.96Å; L133-R136 PolarHBondContact O-N 3.29Å; L133-W137 WeakPolarHBondContact O-CB 3.44Å; L133-W137 PolarHBondContact O-N 3.23Å; L133-F376 HydrophobicContact CD2-CZ 4.06Å; L133-F407 HydrophobicContact CD1-CD2 4.48Å; L133-F407 HydrophobicContact CD1-CE2 4.42Å; L133-F407 HydrophobicContact CD2-CD2 4.19Å; L133-I410 HydrophobicContact CD2-CD1 4.43Å
134	F	95.2	Very high	93.7	Very high	6 Å²	6	56.9 Å²	56.9	3%	0.026	29%	0.287	C	S	.	.	H	α-helix	trans	-67.6	-39.5	177.2	-69.2	2.9	0	0	0	112.3	T130 S131 E132 W137 R138 W374 F376 M378 N379	T130-F134 HydrophobicContact CG2-CD1 4.15Å; T130-F134 HydrophobicContact CG2-CD2 4.48Å; T130-F134 HydrophobicContact CG2-CE1 3.49Å; T130-F134 VanDerWaalsContact CG2-CE1 3.49Å; T130-F134 HydrophobicContact CG2-CE2 3.88Å; T130-F134 HydrophobicContact CG2-CZ 3.34Å; T130-F134 WeakPolarHBondContact O-CD1 3.47Å; T130-F134 VanDerWaalsContact O-CG 3.23Å; T130-F134 WeakPolarHBondContact O-CG 3.44Å; T130-F134 PolarHBondContact O-N 3.21Å; S131-F134 PolarHBondContact O-N 3.37Å; E132-F134 VanDerWaalsContact C-N 3.26Å; E132-F134 PolarHBondContact O-N 3.15Å; F134-W137 PolarHBondContact O-N 2.73Å; F134-R138 WeakPolarHBondContact O-CB 3.21Å; F134-R138 VanDerWaalsContact O-CG 3.31Å; F134-R138 WeakPolarHBondContact O-CG 3.17Å; F134-R138 PolarHBondContact O-N 3.01Å; F134-W374 AromaticContact CD1-CH2 3.9Å; F134-W374 HydrophobicContact CD1-CH2 3.9Å; F134-W374 AromaticContact CD1-CZ2 3.76Å; F134-W374 HydrophobicContact CD1-CZ2 3.76Å; F134-W374 AromaticContact CE1-CH2 3.77Å; F134-W374 HydrophobicContact CE1-CH2 3.77Å; F134-W374 AromaticContact CE1-CZ2 3.31Å; F134-W374 HydrophobicContact CE1-CZ2 3.31Å; F134-W374 HydrophobicContact CE2-CZ2 4.31Å; F134-W374 HydrophobicContact CG-CZ2 4.44Å; F134-W374 HydrophobicContact CZ-CH2 4.49Å; F134-W374 AromaticContact CZ-CZ2 3.62Å; F134-W374 HydrophobicContact CZ-CZ2 3.62Å; F134-F376 HydrophobicContact CE1-CB 4.1Å; F134-F376 HydrophobicContact CE1-CD1 4.22Å; F134-F376 AromaticContact CE1-CD2 3.72Å; F134-F376 HydrophobicContact CE1-CD2 3.72Å; F134-F376 HydrophobicContact CE1-CE2 4.14Å; F134-F376 AromaticContact CE1-CG 3.76Å; F134-F376 HydrophobicContact CE1-CG 3.76Å; F134-F376 HydrophobicContact CZ-CB 3.57Å; F134-F376 HydrophobicContact CZ-CD1 4.31Å; F134-F376 HydrophobicContact CZ-CD2 4.09Å; F134-F376 AromaticContact CZ-CG 3.75Å; F134-F376 HydrophobicContact CZ-CG 3.75Å; F134-M378 HydrophobicContact CE2-CB 4.07Å; F134-N379 WeakPolarHBondContact CE2-O 3.4Å
135	E	94.9	Very high	93.9	Very high	60 Å²	60	55.7 Å²	55.7	28%	0.28	28%	0.277	S	S	.	.	H	α-helix	trans	-60.2	-49.8	174.3	-173.4	177.1	178.2	0	0	110.9	R94 S131 E132 W137 R138 N139	R94-E135 IonicContact NE-OE1 3.26Å; R94-E135 IonicContact NH2-OE2 3.85Å; S131-E135 PolarHBondContact O-N 2.84Å; E132-E135 PolarHBondContact O-N 3.4Å; E135-W137 VanDerWaalsContact C-N 3.34Å; E135-W137 PolarHBondContact O-N 3.34Å; E135-R138 PolarHBondContact O-N 3.21Å; E135-N139 WeakPolarHBondContact O-CB 3.3Å; E135-N139 PolarHBondContact O-N 3.39Å; E135-N139 PolarHBondContact O-OD1 3.15Å
136	R	96	Very high	94.1	Very high	50 Å²	50	58.7 Å²	58.7	19%	0.189	29%	0.29	C	S	.	.	H	α-helix	trans	-59	-44.4	175.8	-66.5	178.1	-168.7	-137.9	-1.3	111.8	E118 I119 E132 L133 N139 L140	E118-R136 PolarHBondContact O-NH1 2.7Å; I119-R136 HydrophobicContact CD1-CB 4.46Å; I119-R136 HydrophobicContact CG1-CB 3.82Å; E132-R136 WeakPolarHBondContact O-CG 3.31Å; E132-R136 PolarHBondContact O-N 2.99Å; E132-R136 IonicContact OE1-CZ 2.73Å; E132-R136 IonicContact OE1-NE 3.73Å; E132-R136 IonicContact OE1-NH2 3.49Å; E132-R136 PolarHBondContact OE1-NH2 2.66Å; L133-R136 PolarHBondContact O-N 3.29Å; R136-N139 PolarHBondContact O-N 2.87Å; R136-L140 PolarHBondContact O-N 3.13Å
137	W	96.1	Very high	94.4	Very high	1 Å²	1	55.3 Å²	55.3	0%	0.004	27%	0.266	C	S	.	.	H	α-helix	trans	-60.7	-49.7	176.9	-179.6	-102.5	0	0	0	112.2	I119 L133 F134 E135 N139 L140 Q141 I410 H413 V420 T422	I119-W137 HydrophobicContact CD1-CE3 4.46Å; L133-W137 WeakPolarHBondContact O-CB 3.44Å; L133-W137 PolarHBondContact O-N 3.23Å; F134-W137 PolarHBondContact O-N 2.73Å; E135-W137 VanDerWaalsContact C-N 3.34Å; E135-W137 PolarHBondContact O-N 3.34Å; W137-N139 VanDerWaalsContact C-N 3.32Å; W137-N139 PolarHBondContact O-N 3.38Å; W137-L140 PolarHBondContact O-N 3.36Å; W137-Q141 WeakPolarHBondContact O-CG 3.43Å; W137-Q141 PolarHBondContact O-N 3.15Å; W137-I410 HydrophobicContact CD2-CG1 4.36Å; W137-I410 HydrophobicContact CE3-CB 4.17Å; W137-I410 HydrophobicContact CE3-CD1 4.36Å; W137-I410 HydrophobicContact CE3-CG1 3.78Å; W137-I410 HydrophobicContact CE3-CG2 3.64Å; W137-I410 HydrophobicContact CH2-CG1 4.45Å; W137-I410 HydrophobicContact CZ3-CB 4.06Å; W137-I410 HydrophobicContact CZ3-CG1 3.82Å; W137-I410 HydrophobicContact CZ3-CG2 3.84Å; W137-H413 HydrophobicContact CH2-CB 4.14Å; W137-H413 AromaticContact CH2-CD2 3.42Å; W137-H413 VanDerWaalsContact CH2-CD2 3.42Å; W137-H413 WeakPolarHBondContact CH2-CD2 3.43Å; W137-H413 AromaticContact CH2-CG 3.67Å; W137-H413 AromaticContact CH2-NE2 3.78Å; W137-H413 HydrophobicContact CZ3-CB 4.24Å; W137-H413 AromaticContact CZ3-CD2 3.46Å; W137-H413 VanDerWaalsContact CZ3-CD2 3.46Å; W137-H413 WeakPolarHBondContact CZ3-CD2 3.42Å; W137-H413 AromaticContact CZ3-CG 3.97Å; W137-V420 HydrophobicContact CH2-CB 3.94Å; W137-V420 HydrophobicContact CH2-CG1 4.24Å; W137-V420 HydrophobicContact CZ2-CB 4.3Å; W137-V420 HydrophobicContact CZ2-CG1 4.21Å; W137-T422 HydrophobicContact CZ2-CG2 3.87Å; W137-T422 PolarHBondContact NE1-OG1 3.15Å
138	R	94.3	Very high	94.7	Very high	99 Å²	99	50.4 Å²	50.4	37%	0.374	24%	0.243	S	C	.	.	H	α-helix	trans	-58.4	-44.6	176.8	-75.1	-171.1	-52	-120.1	3.9	111.6	F134 E135 L140 Q141 P380	F134-R138 WeakPolarHBondContact O-CB 3.21Å; F134-R138 VanDerWaalsContact O-CG 3.31Å; F134-R138 WeakPolarHBondContact O-CG 3.17Å; F134-R138 PolarHBondContact O-N 3.01Å; E135-R138 PolarHBondContact O-N 3.21Å; R138-L140 VanDerWaalsContact C-N 3.29Å; R138-L140 PolarHBondContact O-N 2.88Å; R138-Q141 WeakPolarHBondContact O-CB 3.43Å; R138-Q141 PolarHBondContact O-N 3.13Å; R138-Q141 VanDerWaalsContact O-N 3.12Å; R138-P380 VanDerWaalsContact CD-O 3.26Å; R138-P380 WeakPolarHBondContact CD-O 3.29Å; R138-P380 HydrophobicContact CG-CB 3.63Å; R138-P380 PolarHBondContact NH1-O 3.04Å
139	N	94.3	Very high	94.9	Very high	19 Å²	19	57.3 Å²	57.3	10%	0.102	27%	0.272	C	S	.	.	H	α-helix	trans	-62.3	-39.3	178.8	-67.6	-10	0	0	0	110.7	L115 E135 R136 W137 Q141 I142	L115-N139 HydrophobicContact CD2-CB 3.82Å; E135-N139 WeakPolarHBondContact O-CB 3.3Å; E135-N139 PolarHBondContact O-N 3.39Å; E135-N139 PolarHBondContact O-OD1 3.15Å; R136-N139 PolarHBondContact O-N 2.87Å; W137-N139 VanDerWaalsContact C-N 3.32Å; W137-N139 PolarHBondContact O-N 3.38Å; N139-Q141 VanDerWaalsContact C-N 3.26Å; N139-Q141 PolarHBondContact O-N 3.33Å; N139-I142 WeakPolarHBondContact O-CG1 3.44Å; N139-I142 PolarHBondContact O-N 3.12Å
140	L	95.3	Very high	95.1	Very high	7 Å²	7	56.4 Å²	56.4	4%	0.037	27%	0.27	C	S	.	.	H	α-helix	trans	-63.9	-28.9	176	-177.6	63.8	0	0	0	113	L115 R116 I119 R136 W137 R138 I142 C143	L115-L140 HydrophobicContact CB-CD1 4.21Å; R116-L140 HydrophobicContact CG-CD1 3.53Å; I119-L140 HydrophobicContact CD1-CB 3.83Å; I119-L140 HydrophobicContact CD1-CD2 3.54Å; I119-L140 HydrophobicContact CD1-CG 4.25Å; R136-L140 PolarHBondContact O-N 3.13Å; W137-L140 PolarHBondContact O-N 3.36Å; R138-L140 VanDerWaalsContact C-N 3.29Å; R138-L140 PolarHBondContact O-N 2.88Å; L140-I142 PolarHBondContact O-N 3.34Å; L140-I142 VanDerWaalsContact O-N 3.08Å; L140-C143 HydrophobicContact CD1-CB 4.32Å; L140-C143 VanDerWaalsContact O-CB 3.27Å; L140-C143 WeakPolarHBondContact O-CB 3.18Å; L140-C143 PolarHBondContact O-N 3.01Å
141	Q	92	Very high	95.3	Very high	76 Å²	76	55.6 Å²	55.6	36%	0.355	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-11	-178.3	-59.4	-54	-89	0	0	114.2	W137 R138 N139 C143	W137-Q141 WeakPolarHBondContact O-CG 3.43Å; W137-Q141 PolarHBondContact O-N 3.15Å; R138-Q141 WeakPolarHBondContact O-CB 3.43Å; R138-Q141 PolarHBondContact O-N 3.13Å; R138-Q141 VanDerWaalsContact O-N 3.12Å; N139-Q141 VanDerWaalsContact C-N 3.26Å; N139-Q141 PolarHBondContact O-N 3.33Å; Q141-C143 PolarHBondContact O-N 2.86Å
142	I	91.5	Very high	95.5	Very high	30 Å²	30	52.4 Å²	52.4	15%	0.154	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-17.6	171.5	76.1	-173.6	0	0	0	112.2	S104 F105 L115 N139 L140	S104-I142 CarbonylContact C-O 3.6Å; S104-I142 VanDerWaalsContact CA-O 3.23Å; S104-I142 WeakPolarHBondContact CA-O 3.48Å; F105-I142 HydrophobicContact CD2-CD1 3.79Å; F105-I142 HydrophobicContact CD2-CG1 3.88Å; F105-I142 HydrophobicContact CE2-CD1 3.89Å; F105-I142 HydrophobicContact CE2-CG1 4.45Å; F105-I142 PolarHBondContact N-O 3.38Å; L115-I142 HydrophobicContact CD1-CD1 3.73Å; L115-I142 HydrophobicContact CD1-CG1 4.09Å; N139-I142 WeakPolarHBondContact O-CG1 3.44Å; N139-I142 PolarHBondContact O-N 3.12Å; L140-I142 PolarHBondContact O-N 3.34Å; L140-I142 VanDerWaalsContact O-N 3.08Å
143	C	93.9	Very high	95.6	Very high	15 Å²	15	52 Å²	52	10%	0.101	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-86.8	134.6	179.1	-64.5	0	0	0	0	110.2	F105 C112 L140 Q141 W145	F105-C143 CarbonylContact O-C 3.49Å; F105-C143 WeakPolarHBondContact O-CA 3.47Å; C112-C143 WeakPolarHBondContact CA-SG 3.37Å; C112-C143 HydrophobicContact CB-CB 3.9Å; C112-C143 WeakPolarHBondContact CB-SG 3.47Å; C112-C143 WeakPolarHBondContact SG-CB 3.35Å; C112-C143 CovalentContact SG-SG 2.03Å; C112-C143 PolarHBondContact SG-SG 3.16Å; L140-C143 HydrophobicContact CD1-CB 4.32Å; L140-C143 VanDerWaalsContact O-CB 3.27Å; L140-C143 WeakPolarHBondContact O-CB 3.18Å; L140-C143 PolarHBondContact O-N 3.01Å; Q141-C143 PolarHBondContact O-N 2.86Å; C143-W145 PolarHBondContact O-N 3.25Å
144	K	94.8	Very high	95.7	Very high	89 Å²	89	55.4 Å²	55.4	39%	0.387	26%	0.263	S	S	.	.	P	Polyproline II helix	trans	-58.2	132.1	162.7	-65.4	-174	-174.5	166.3	0	108.5	S104 F105 E106 F107	S104-K144 WeakPolarHBondContact OG-CE 3.2Å; S104-K144 WeakPolarHBondContact OG-CG 3.3Å; F105-K144 PolarHBondContact O-N 3.42Å; E106-K144 IonicContact OE1-NZ 2.7Å; E106-K144 PolarHBondContact OE1-NZ 3.41Å; E106-K144 IonicContact OE2-NZ 3.87Å; F107-K144 WeakPolarHBondContact CA-O 3.37Å; F107-K144 WeakPolarHBondContact CB-O 3.21Å
145	W	96.4	Very high	95.8	Very high	34 Å²	34	56 Å²	56	13%	0.129	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-83.4	135.5	171.2	-178.1	87.6	0	0	0	109.6	C143 Q147 E367 H413 I418 H419	C143-W145 PolarHBondContact O-N 3.25Å; W145-Q147 HydrophobicContact CH2-CB 3.68Å; W145-Q147 HydrophobicContact CH2-CG 4.14Å; W145-Q147 HydrophobicContact CZ2-CB 4.33Å; W145-Q147 HydrophobicContact CZ3-CB 4.18Å; W145-E367 HydrophobicContact CH2-CG 4.33Å; W145-E367 WeakPolarHBondContact CZ3-OE1 3.48Å; W145-H413 AromaticContact CD1-CE1 3.13Å; W145-H413 AromaticContact CD1-CG 3.91Å; W145-H413 AromaticContact CD1-ND1 3.23Å; W145-H413 AromaticContact CD1-NE2 3.71Å; W145-H413 AromaticContact CG-CE1 3.7Å; W145-H413 AromaticContact NE1-CE1 3.87Å; W145-H413 AromaticContact NE1-ND1 3.46Å; W145-H413 PolarHBondContact NE1-ND1 3.01Å; W145-H413 PolarHBondContact NE1-O 3.03Å; W145-I418 WeakPolarHBondContact CZ2-O 3.35Å; W145-I418 PolarHBondContact NE1-O 3.42Å; W145-H419 HydrophobicContact CD2-CB 3.78Å; W145-H419 AromaticContact CD2-CD2 3.87Å; W145-H419 AromaticContact CD2-CG 3.51Å; W145-H419 AromaticContact CD2-ND1 3.67Å; W145-H419 HydrophobicContact CE3-CB 3.79Å; W145-H419 AromaticContact CE3-CE1 3.83Å; W145-H419 AromaticContact CE3-CG 3.51Å; W145-H419 AromaticContact CE3-ND1 3.23Å; W145-H419 AromaticContact CG-CD2 3.77Å; W145-H419 AromaticContact CG-CG 3.93Å; W145-H419 AromaticContact CG-NE2 3.9Å; W145-H419 HydrophobicContact CH2-CB 3.78Å; W145-H419 HydrophobicContact CZ2-CB 3.8Å; W145-H419 HydrophobicContact CZ3-CB 3.78Å; W145-H419 AromaticContact CZ3-CG 3.99Å; W145-H419 AromaticContact CZ3-ND1 3.78Å
146	E	96.9	Very high	95.9	Very high	84 Å²	84	54.3 Å²	54.3	39%	0.393	26%	0.258	S	S	.	.			trans	-132.1	148	169.9	-68.3	-176.1	165.9	0	0	109.6	F107 N148	F107-E146 HydrophobicContact CB-CB 3.84Å; F107-E146 HydrophobicContact CB-CG 3.76Å; F107-E146 HydrophobicContact CD1-CB 3.98Å; F107-E146 HydrophobicContact CD2-CB 4.31Å; F107-E146 HydrophobicContact CG-CB 3.8Å; F107-E146 HydrophobicContact CG-CG 4.3Å; E146-N148 PolarHBondContact O-N 3.46Å
147	Q	97.7	Very high	95.9	Very high	45 Å²	45	55.8 Å²	55.8	21%	0.21	27%	0.267	C	S	.	.			trans	-72.8	124.6	174.6	-165	-175.9	42.3	0	0	110.5	W145 K149 A152 E366 G416	W145-Q147 HydrophobicContact CH2-CB 3.68Å; W145-Q147 HydrophobicContact CH2-CG 4.14Å; W145-Q147 HydrophobicContact CZ2-CB 4.33Å; W145-Q147 HydrophobicContact CZ3-CB 4.18Å; Q147-K149 PolarHBondContact O-N 2.88Å; Q147-A152 HydrophobicContact CG-CB 4.3Å; Q147-E366 PolarHBondContact NE2-O 3.29Å; Q147-G416 WeakPolarHBondContact CA-O 3.12Å; Q147-G416 WeakPolarHBondContact CG-O 3.41Å
148	N	97.9	Very high	95.9	Very high	53 Å²	53	58.3 Å²	58.3	28%	0.283	29%	0.285	S	S	.	.			trans	-84.1	97.8	163.6	-175.2	-25	0	0	0	108.4	E146 E150 E151 A152 R415 G416	E146-N148 PolarHBondContact O-N 3.46Å; N148-E150 VanDerWaalsContact C-N 3.25Å; N148-E150 PolarHBondContact O-N 2.86Å; N148-E150 PolarHBondContact OD1-N 3.48Å; N148-E151 HydrophobicContact CB-CB 4Å; N148-E151 HydrophobicContact CB-CG 4.17Å; N148-E151 VanDerWaalsContact CG-CG 3.49Å; N148-E151 VanDerWaalsContact ND2-CG 3.27Å; N148-E151 WeakPolarHBondContact ND2-CG 3.2Å; N148-E151 PolarHBondContact O-N 3.36Å; N148-E151 PolarHBondContact OD1-N 3.39Å; N148-A152 WeakPolarHBondContact O-CB 3.37Å; N148-A152 PolarHBondContact O-N 3.01Å; N148-R415 VanDerWaalsContact CB-O 3.23Å; N148-R415 WeakPolarHBondContact CB-O 3.28Å; N148-G416 PolarHBondContact N-O 2.91Å
149	K	96.5	Very high	96	Very high	160 Å²	160	53.6 Å²	53.6	70%	0.696	27%	0.267	S	S	*	.	H	α-helix	trans	-58.7	-34.8	-175.8	-66.8	-175.2	177.2	-177.9	0	113.3	Q147 S153	Q147-K149 PolarHBondContact O-N 2.88Å; K149-S153 WeakPolarHBondContact O-CB 3.22Å; K149-S153 PolarHBondContact O-N 3.08Å
150	E	97.4	Very high	96	Very high	136 Å²	136	53.9 Å²	53.9	64%	0.636	27%	0.271	S	S	*	.	H	α-helix	trans	-68	-52	178.5	-177	179.5	178.2	0	0	110.7	N148 A152 S153 N154	N148-E150 VanDerWaalsContact C-N 3.25Å; N148-E150 PolarHBondContact O-N 2.86Å; N148-E150 PolarHBondContact OD1-N 3.48Å; E150-A152 VanDerWaalsContact C-N 3.33Å; E150-A152 PolarHBondContact O-N 3.09Å; E150-S153 PolarHBondContact O-N 2.97Å; E150-N154 WeakPolarHBondContact O-CB 3.28Å; E150-N154 VanDerWaalsContact O-CG 3.23Å; E150-N154 PolarHBondContact O-N 3.29Å; E150-N154 PolarHBondContact O-ND2 3.32Å
151	E	97.5	Very high	96	Very high	51 Å²	51	63.1 Å²	63.1	24%	0.238	31%	0.305	C	S	.	.	H	α-helix	trans	-59.6	-43.8	177.6	-72.2	-72.2	127.3	0	0	111.7	N148 N154 F155 R415 I417	N148-E151 HydrophobicContact CB-CB 4Å; N148-E151 HydrophobicContact CB-CG 4.17Å; N148-E151 VanDerWaalsContact CG-CG 3.49Å; N148-E151 VanDerWaalsContact ND2-CG 3.27Å; N148-E151 WeakPolarHBondContact ND2-CG 3.2Å; N148-E151 PolarHBondContact O-N 3.36Å; N148-E151 PolarHBondContact OD1-N 3.39Å; E151-N154 PolarHBondContact O-N 3.46Å; E151-F155 WeakPolarHBondContact O-CB 3.28Å; E151-F155 PolarHBondContact O-N 2.95Å; E151-R415 IonicContact OE2-CZ 3.94Å; E151-R415 IonicContact OE2-NE 4Å; E151-R415 PolarHBondContact OE2-NE 3.04Å; E151-R415 IonicContact OE2-NH2 2.63Å; E151-R415 PolarHBondContact OE2-NH2 3.44Å; E151-I417 HydrophobicContact CB-CD1 4.43Å; E151-I417 HydrophobicContact CB-CG1 3.89Å
152	A	97.6	Very high	96.1	Very high	13 Å²	13	61.3 Å²	61.3	11%	0.107	30%	0.301	C	S	.	.	H	α-helix	trans	-62.6	-44.4	176.8	0	0	0	0	0	111.9	Q147 N148 E150 F155 K156	Q147-A152 HydrophobicContact CG-CB 4.3Å; N148-A152 WeakPolarHBondContact O-CB 3.37Å; N148-A152 PolarHBondContact O-N 3.01Å; E150-A152 VanDerWaalsContact C-N 3.33Å; E150-A152 PolarHBondContact O-N 3.09Å; A152-F155 PolarHBondContact O-N 2.82Å; A152-K156 VanDerWaalsContact O-CB 3.3Å; A152-K156 WeakPolarHBondContact O-CB 3.45Å; A152-K156 PolarHBondContact O-N 3.28Å
153	S	96.6	Very high	96.2	Very high	62 Å²	62	60.2 Å²	60.2	43%	0.434	30%	0.296	S	S	.	.	H	α-helix	trans	-65.4	-43.7	177.7	-174	0	0	0	0	112.2	K149 E150 F155 K156 M157	K149-S153 WeakPolarHBondContact O-CB 3.22Å; K149-S153 PolarHBondContact O-N 3.08Å; E150-S153 PolarHBondContact O-N 2.97Å; S153-F155 VanDerWaalsContact C-N 3.34Å; S153-F155 PolarHBondContact O-N 2.97Å; S153-K156 PolarHBondContact O-N 2.89Å; S153-M157 WeakPolarHBondContact O-CB 3.36Å; S153-M157 PolarHBondContact O-N 3.41Å
154	N	97.4	Very high	96.3	Very high	73 Å²	73	62 Å²	62	39%	0.39	31%	0.305	S	S	.	.	H	α-helix	trans	-62.4	-42.1	177.1	-73.1	-20.5	0	0	0	111.5	E150 E151 M157 S158	E150-N154 WeakPolarHBondContact O-CB 3.28Å; E150-N154 VanDerWaalsContact O-CG 3.23Å; E150-N154 PolarHBondContact O-N 3.29Å; E150-N154 PolarHBondContact O-ND2 3.32Å; E151-N154 PolarHBondContact O-N 3.46Å; N154-M157 PolarHBondContact O-N 3.23Å; N154-S158 PolarHBondContact O-N 3.36Å; N154-S158 VanDerWaalsContact O-N 3.08Å; N154-S158 PolarHBondContact O-OG 2.81Å
155	F	96.8	Very high	96.4	Very high	18 Å²	18	57.8 Å²	57.8	8%	0.079	29%	0.286	C	S	.	.	H	α-helix	trans	-66	-46	175.9	-159.7	-92.8	0	0	0	111.5	E151 A152 S153 M157 S158 L159 F340 W341 M362 M412 I417	E151-F155 WeakPolarHBondContact O-CB 3.28Å; E151-F155 PolarHBondContact O-N 2.95Å; A152-F155 PolarHBondContact O-N 2.82Å; S153-F155 VanDerWaalsContact C-N 3.34Å; S153-F155 PolarHBondContact O-N 2.97Å; F155-M157 VanDerWaalsContact C-N 3.29Å; F155-M157 PolarHBondContact O-N 2.97Å; F155-S158 WeakPolarHBondContact O-CA 3.4Å; F155-S158 WeakPolarHBondContact O-CB 3.4Å; F155-S158 PolarHBondContact O-N 2.74Å; F155-L159 HydrophobicContact CD1-CD1 3.87Å; F155-L159 HydrophobicContact CD1-CG 4.11Å; F155-L159 HydrophobicContact CE1-CD1 3.86Å; F155-L159 HydrophobicContact CE1-CD2 4.18Å; F155-L159 HydrophobicContact CE1-CG 4.04Å; F155-L159 PolarHBondContact O-N 2.8Å; F155-F340 HydrophobicContact CE1-CE1 4.19Å; F155-F340 HydrophobicContact CE1-CZ 4.2Å; F155-F340 HydrophobicContact CE2-CE1 4.41Å; F155-F340 HydrophobicContact CE2-CZ 4.05Å; F155-F340 AromaticContact CZ-CE1 3.69Å; F155-F340 HydrophobicContact CZ-CE1 3.69Å; F155-F340 AromaticContact CZ-CZ 3.7Å; F155-F340 HydrophobicContact CZ-CZ 3.7Å; F155-W341 HydrophobicContact CE1-CH2 4.27Å; F155-W341 AromaticContact CZ-CH2 3.89Å; F155-W341 HydrophobicContact CZ-CH2 3.89Å; F155-W341 HydrophobicContact CZ-CZ2 4.45Å; F155-W341 HydrophobicContact CZ-CZ3 4.45Å; F155-M362 HydrophobicContact CD1-CE 4.35Å; F155-M362 HydrophobicContact CD1-SD 3.93Å; F155-M362 HydrophobicContact CE1-CE 3.73Å; F155-M362 HydrophobicContact CE1-SD 3.82Å; F155-M412 HydrophobicContact CD1-SD 4.5Å; F155-M412 HydrophobicContact CE1-SD 3.85Å; F155-M412 HydrophobicContact CE2-SD 4.16Å; F155-M412 HydrophobicContact CZ-SD 3.65Å; F155-I417 HydrophobicContact CB-CD1 4.23Å; F155-I417 HydrophobicContact CB-CG2 4.12Å; F155-I417 HydrophobicContact CD1-CG2 4.28Å; F155-I417 HydrophobicContact CD2-CD1 4.14Å; F155-I417 HydrophobicContact CG-CD1 4.3Å; F155-I417 HydrophobicContact CG-CG2 4.2Å
156	K	96.1	Very high	96.3	Very high	26 Å²	26	57.3 Å²	57.3	11%	0.113	29%	0.287	C	S	.	.	H	α-helix	trans	-56.9	-40.3	174.1	178.4	-178.5	-66.1	-179	0	112.4	A152 S153 S158 L159 S160 S211 M362 C365	A152-K156 VanDerWaalsContact O-CB 3.3Å; A152-K156 WeakPolarHBondContact O-CB 3.45Å; A152-K156 PolarHBondContact O-N 3.28Å; S153-K156 PolarHBondContact O-N 2.89Å; K156-S158 VanDerWaalsContact C-N 3.34Å; K156-L159 PolarHBondContact O-N 3.04Å; K156-S160 WeakPolarHBondContact O-CB 3.08Å; K156-S160 PolarHBondContact O-N 3.31Å; K156-S160 PolarHBondContact O-OG 3.42Å; K156-S211 PolarHBondContact NZ-OG 3.42Å; K156-M362 WeakPolarHBondContact CE-O 3.31Å; K156-M362 WeakPolarHBondContact CG-O 3.27Å; K156-C365 VanDerWaalsContact CE-O 3.28Å; K156-C365 WeakPolarHBondContact CE-O 3.38Å; K156-C365 PolarHBondContact NZ-O 3.14Å
157	M	96	Very high	96.2	Very high	80 Å²	80	55.8 Å²	55.8	39%	0.394	29%	0.286	S	S	.	.	H	α-helix	trans	-65	-39.2	176.4	-168.3	-177	-54.9	0	0	111.7	S153 N154 F155 L159 S160 R161	S153-M157 WeakPolarHBondContact O-CB 3.36Å; S153-M157 PolarHBondContact O-N 3.41Å; N154-M157 PolarHBondContact O-N 3.23Å; F155-M157 VanDerWaalsContact C-N 3.29Å; F155-M157 PolarHBondContact O-N 2.97Å; M157-L159 VanDerWaalsContact C-N 3.34Å; M157-S160 PolarHBondContact O-N 2.8Å; M157-R161 WeakPolarHBondContact O-CG 3.41Å; M157-R161 PolarHBondContact O-N 2.84Å; M157-R161 PolarHBondContact SD-NH2 2.83Å
158	S	96.8	Very high	96.1	Very high	54 Å²	54	57.3 Å²	57.3	38%	0.378	29%	0.292	S	S	.	.	H	α-helix	trans	-62.5	-41.8	174.2	-57.2	0	0	0	0	111.6	N154 F155 K156 R161 C162	N154-S158 PolarHBondContact O-N 3.36Å; N154-S158 VanDerWaalsContact O-N 3.08Å; N154-S158 PolarHBondContact O-OG 2.81Å; F155-S158 WeakPolarHBondContact O-CA 3.4Å; F155-S158 WeakPolarHBondContact O-CB 3.4Å; F155-S158 PolarHBondContact O-N 2.74Å; K156-S158 VanDerWaalsContact C-N 3.34Å; S158-R161 PolarHBondContact O-N 3.05Å; S158-C162 PolarHBondContact O-N 3.12Å
159	L	96.4	Very high	96.1	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-66	-42.5	175.1	-64.8	177.2	0	0	0	112.6	F155 K156 M157 R161 C162 C163 N164 F340 T359 M362 E363	F155-L159 HydrophobicContact CD1-CD1 3.87Å; F155-L159 HydrophobicContact CD1-CG 4.11Å; F155-L159 HydrophobicContact CE1-CD1 3.86Å; F155-L159 HydrophobicContact CE1-CD2 4.18Å; F155-L159 HydrophobicContact CE1-CG 4.04Å; F155-L159 PolarHBondContact O-N 2.8Å; K156-L159 PolarHBondContact O-N 3.04Å; M157-L159 VanDerWaalsContact C-N 3.34Å; L159-R161 PolarHBondContact O-N 2.99Å; L159-C162 VanDerWaalsContact CA-SG 3.57Å; L159-C162 PolarHBondContact O-N 2.78Å; L159-C162 VanDerWaalsContact O-N 3.16Å; L159-C162 PolarHBondContact O-SG 3.47Å; L159-C163 PolarHBondContact O-N 3.24Å; L159-N164 PolarHBondContact O-N 3.37Å; L159-F340 HydrophobicContact CD2-CD1 3.79Å; L159-F340 HydrophobicContact CD2-CD2 4.35Å; L159-F340 HydrophobicContact CD2-CE1 3.45Å; L159-F340 VanDerWaalsContact CD2-CE1 3.45Å; L159-F340 HydrophobicContact CD2-CE2 4.05Å; L159-F340 HydrophobicContact CD2-CG 4.23Å; L159-F340 HydrophobicContact CD2-CZ 3.59Å; L159-F340 HydrophobicContact CG-CZ 4.41Å; L159-T359 HydrophobicContact CD1-CG2 4.23Å; L159-T359 HydrophobicContact CD2-CG2 3.82Å; L159-M362 HydrophobicContact CD1-CB 3.66Å; L159-M362 HydrophobicContact CD1-CE 3.91Å; L159-M362 HydrophobicContact CD1-SD 4.47Å; L159-E363 HydrophobicContact CB-CG 3.55Å; L159-E363 HydrophobicContact CD1-CG 4.01Å; L159-E363 HydrophobicContact CG-CG 4.43Å
160	S	94.1	Very high	96.2	Very high	26 Å²	26	47.3 Å²	47.3	18%	0.182	25%	0.246	C	C	.	.	H	α-helix	trans	-59.1	-33.7	175.6	-59.7	0	0	0	0	111.9	K156 M157 N164 K210	K156-S160 WeakPolarHBondContact O-CB 3.08Å; K156-S160 PolarHBondContact O-N 3.31Å; K156-S160 PolarHBondContact O-OG 3.42Å; M157-S160 PolarHBondContact O-N 2.8Å; S160-N164 WeakPolarHBondContact O-CB 3.46Å; S160-K210 PolarHBondContact OG-NZ 3.26Å; S160-K210 VanDerWaalsContact OG-NZ 3.07Å
161	R	95.3	Very high	96.2	Very high	200 Å²	200	40.9 Å²	40.9	76%	0.755	22%	0.216	S	C	*	.	H	α-helix	trans	-79.1	-34	177.3	-70.9	173.7	-176.5	173.3	1.9	112.9	M157 S158 L159	M157-R161 WeakPolarHBondContact O-CG 3.41Å; M157-R161 PolarHBondContact O-N 2.84Å; M157-R161 PolarHBondContact SD-NH2 2.83Å; S158-R161 PolarHBondContact O-N 3.05Å; L159-R161 PolarHBondContact O-N 2.99Å
162	C	93.7	Very high	96.2	Very high	39 Å²	39	38.5 Å²	38.5	26%	0.264	21%	0.205	S	C	.	.	H	α-helix	trans	-79	-41.3	-179.2	74.5	0	0	0	0	113	S158 L159 S336 F340	S158-C162 PolarHBondContact O-N 3.12Å; L159-C162 VanDerWaalsContact CA-SG 3.57Å; L159-C162 PolarHBondContact O-N 2.78Å; L159-C162 VanDerWaalsContact O-N 3.16Å; L159-C162 PolarHBondContact O-SG 3.47Å; C162-S336 WeakPolarHBondContact O-CB 3.38Å; C162-S336 PolarHBondContact O-OG 2.79Å; C162-F340 HydrophobicContact CB-CB 4.35Å; C162-F340 HydrophobicContact CB-CD2 4Å
163	C	95.3	Very high	96.2	Very high	7 Å²	7	40.9 Å²	40.9	5%	0.047	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-134.3	-46.8	-151.3	-52.8	0	0	0	0	111.3	L159 Y333 V337	L159-C163 PolarHBondContact O-N 3.24Å; C163-Y333 HydrophobicContact CB-CD2 3.91Å; C163-Y333 HydrophobicContact CB-CE2 3.56Å; C163-Y333 WeakPolarHBondContact O-CD2 3.44Å; C163-V337 HydrophobicContact CB-CG2 3.86Å; C163-V337 VanDerWaalsContact SG-CG2 3.58Å
164	N	95	Very high	96.2	Very high	53 Å²	53	46.9 Å²	46.9	28%	0.283	23%	0.226	S	C	.	.			trans	58.3	64.5	174.2	-171	17.5	0	0	0	113.4	L159 S160 P166 S167 F168 E363	L159-N164 PolarHBondContact O-N 3.37Å; S160-N164 WeakPolarHBondContact O-CB 3.46Å; N164-P166 VanDerWaalsContact C-CD 3.41Å; N164-P166 VanDerWaalsContact C-N 3.32Å; N164-S167 VanDerWaalsContact ND2-CB 3.3Å; N164-S167 WeakPolarHBondContact ND2-CB 3.39Å; N164-S167 PolarHBondContact ND2-OG 2.92Å; N164-S167 PolarHBondContact O-N 2.96Å; N164-F168 PolarHBondContact O-N 2.89Å; N164-E363 VanDerWaalsContact CA-OE1 3.29Å; N164-E363 WeakPolarHBondContact CA-OE1 3.18Å; N164-E363 PolarHBondContact N-OE1 3.23Å; N164-E363 VanDerWaalsContact N-OE1 3.15Å
165	A	96.4	Very high	96.2	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-50.4	-42.5	177.2	0	0	0	0	0	113.8	S167 F168 L169 Y333 E363	A165-S167 PolarHBondContact O-N 3.28Å; A165-F168 PolarHBondContact O-N 2.69Å; A165-L169 HydrophobicContact CB-CB 4Å; A165-L169 HydrophobicContact CB-CD1 4.45Å; A165-L169 WeakPolarHBondContact O-CB 3.23Å; A165-L169 PolarHBondContact O-N 3.16Å; A165-Y333 HydrophobicContact CB-CE2 3.71Å; A165-E363 HydrophobicContact CB-CB 3.8Å; A165-E363 VanDerWaalsContact CB-CD 3.5Å; A165-E363 HydrophobicContact CB-CG 4.24Å; A165-E363 WeakPolarHBondContact CB-OE2 3.46Å; A165-E363 PolarHBondContact N-OE1 3.02Å
166	P	94.1	Very high	96.3	Very high	24 Å²	24	44.2 Å²	44.2	16%	0.156	21%	0.213	C	C	.	.	H	α-helix	trans	-59.3	-15.5	177.9	-25.8	35.3	0	0	0	115.3	N164 M206 K210 L364	N164-P166 VanDerWaalsContact C-CD 3.41Å; N164-P166 VanDerWaalsContact C-N 3.32Å; P166-M206 VanDerWaalsContact O-CB 3.25Å; P166-M206 WeakPolarHBondContact O-CB 3.35Å; P166-M206 VanDerWaalsContact O-CG 3.27Å; P166-M206 WeakPolarHBondContact O-CG 3.32Å; P166-K210 HydrophobicContact CG-CB 3.87Å; P166-K210 HydrophobicContact CG-CG 4.47Å; P166-L364 HydrophobicContact CG-CD2 4.18Å
167	S	94.6	Very high	96.3	Very high	52 Å²	52	46.1 Å²	46.1	36%	0.364	23%	0.228	S	C	.	.	H	α-helix	trans	-115.3	-25.8	175.9	-53.4	0	0	0	0	113.8	N164 A165 N175	N164-S167 VanDerWaalsContact ND2-CB 3.3Å; N164-S167 WeakPolarHBondContact ND2-CB 3.39Å; N164-S167 PolarHBondContact ND2-OG 2.92Å; N164-S167 PolarHBondContact O-N 2.96Å; A165-S167 PolarHBondContact O-N 3.28Å; S167-N175 PolarHBondContact O-ND2 2.82Å
168	F	96.3	Very high	96.4	Very high	77 Å²	77	45.1 Å²	45.1	34%	0.338	23%	0.229	S	C	.	.	H	α-helix	trans	-130.1	1.6	-169.1	-73.7	-78.2	0	0	0	114.7	N164 A165 F170 N175 H330 Y333	N164-F168 PolarHBondContact O-N 2.89Å; A165-F168 PolarHBondContact O-N 2.69Å; F168-F170 PolarHBondContact O-N 2.95Å; F168-N175 HydrophobicContact CD1-CB 4.39Å; F168-N175 HydrophobicContact CE1-CB 4.13Å; F168-H330 WeakPolarHBondContact O-CB 3.39Å; F168-Y333 HydrophobicContact CB-CD2 4.34Å; F168-Y333 WeakPolarHBondContact O-CB 3.41Å
169	L	97.8	Very high	96.3	Very high	2 Å²	2	45.8 Å²	45.8	1%	0.01	24%	0.244	C	C	.	.	S	Bend	trans	-56.1	-43.4	179.7	-175.1	60.4	0	0	0	111.2	A165 M206 F329 H330 Y333 A360 L364	A165-L169 HydrophobicContact CB-CB 4Å; A165-L169 HydrophobicContact CB-CD1 4.45Å; A165-L169 WeakPolarHBondContact O-CB 3.23Å; A165-L169 PolarHBondContact O-N 3.16Å; L169-M206 HydrophobicContact CB-CE 3.85Å; L169-M206 HydrophobicContact CB-SD 4.07Å; L169-M206 HydrophobicContact CD2-CE 3.85Å; L169-M206 HydrophobicContact CG-CE 4.4Å; L169-F329 HydrophobicContact CD1-CD1 3.97Å; L169-F329 HydrophobicContact CD1-CE1 3.76Å; L169-F329 HydrophobicContact CG-CD1 4.47Å; L169-F329 HydrophobicContact CG-CE1 4.36Å; L169-F329 WeakPolarHBondContact O-CA 3.35Å; L169-F329 WeakPolarHBondContact O-CD1 3.47Å; L169-H330 PolarHBondContact O-N 2.84Å; L169-H330 VanDerWaalsContact O-N 3.1Å; L169-Y333 HydrophobicContact CD1-CD1 3.76Å; L169-Y333 HydrophobicContact CD1-CE1 3.26Å; L169-Y333 HydrophobicContact CD1-CE2 4.49Å; L169-A360 HydrophobicContact CD1-CB 3.74Å; L169-A360 HydrophobicContact CD2-CB 3.82Å; L169-A360 HydrophobicContact CG-CB 4.48Å; L169-L364 HydrophobicContact CD2-CD1 4.03Å
170	F	98.3	Very high	96.4	Very high	1 Å²	1	47.3 Å²	47.3	0%	0.004	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-116.7	155.1	178	-51	-45.1	0	0	0	112.4	F168 T172 N175 M206 P207 F208 L262 V297 F327 F328 F329	F168-F170 PolarHBondContact O-N 2.95Å; F170-T172 PolarHBondContact O-N 3.46Å; F170-N175 PolarHBondContact O-ND2 3.25Å; F170-M206 HydrophobicContact CD2-CE 3.98Å; F170-M206 HydrophobicContact CD2-SD 3.64Å; F170-M206 HydrophobicContact CE2-CE 3.83Å; F170-M206 HydrophobicContact CE2-SD 4.13Å; F170-M206 HydrophobicContact CG-SD 4.36Å; F170-P207 HydrophobicContact CD2-CG 4.33Å; F170-P207 HydrophobicContact CE2-CG 4.2Å; F170-F208 HydrophobicContact CE2-CD2 4.16Å; F170-F208 AromaticContact CE2-CE2 3.9Å; F170-F208 HydrophobicContact CE2-CE2 3.9Å; F170-F208 HydrophobicContact CZ-CE2 4.36Å; F170-L262 HydrophobicContact CZ-CD1 3.93Å; F170-V297 HydrophobicContact CD1-CG1 4.14Å; F170-V297 HydrophobicContact CE1-CB 4.41Å; F170-V297 HydrophobicContact CE1-CG1 3.58Å; F170-V297 HydrophobicContact CE1-CG2 3.87Å; F170-V297 HydrophobicContact CZ-CG1 4.48Å; F170-V297 HydrophobicContact CZ-CG2 3.97Å; F170-F327 HydrophobicContact CB-CB 4.2Å; F170-F327 HydrophobicContact CD1-CB 3.69Å; F170-F327 HydrophobicContact CD2-CB 3.78Å; F170-F327 HydrophobicContact CD2-CD1 4.18Å; F170-F327 HydrophobicContact CD2-CD2 4.14Å; F170-F327 AromaticContact CD2-CG 3.77Å; F170-F327 HydrophobicContact CD2-CG 3.77Å; F170-F327 HydrophobicContact CE1-CB 3.98Å; F170-F327 HydrophobicContact CE2-CB 4.05Å; F170-F327 AromaticContact CE2-CD2 3.78Å; F170-F327 HydrophobicContact CE2-CD2 3.78Å; F170-F327 HydrophobicContact CE2-CE2 4.4Å; F170-F327 AromaticContact CE2-CG 3.89Å; F170-F327 HydrophobicContact CE2-CG 3.89Å; F170-F327 HydrophobicContact CG-CB 3.61Å; F170-F327 HydrophobicContact CG-CG 4.13Å; F170-F327 HydrophobicContact CZ-CB 4.16Å; F170-F327 HydrophobicContact CZ-CD2 4.14Å; F170-F327 HydrophobicContact CZ-CG 4.36Å; F170-F328 CarbonylContact C-O 3.2Å; F170-F328 WeakPolarHBondContact CA-O 3.44Å; F170-F329 HydrophobicContact CD1-CD1 4.4Å; F170-F329 HydrophobicContact CE1-CD1 4.32Å; F170-F329 HydrophobicContact CE1-CE1 4.23Å
171	T	98.1	Very high	96.5	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.28	C	S	.	.			trans	-69.4	124	162.4	54.7	0	0	0	0	109.3	L182 F202 P203 F301 F328 H330	T171-L182 HydrophobicContact CG2-CD2 4.18Å; T171-F202 WeakPolarHBondContact OG1-CE1 3.49Å; T171-P203 WeakPolarHBondContact O-CD 3.49Å; T171-F301 HydrophobicContact CG2-CD2 3.72Å; T171-F301 HydrophobicContact CG2-CE2 3.46Å; T171-F301 VanDerWaalsContact CG2-CE2 3.46Å; T171-F328 PolarHBondContact N-O 3.27Å; T171-F328 PolarHBondContact OG1-O 3.41Å; T171-H330 HydrophobicContact CG2-CB 4.17Å
172	T	98.1	Very high	96.5	Very high	1 Å²	1	45 Å²	45	1%	0.006	25%	0.247	C	C	.	.			trans	-124.6	163.1	178.5	71.2	0	0	0	0	109	F170 R174 N175 T176 P203	F170-T172 PolarHBondContact O-N 3.46Å; T172-R174 PolarHBondContact O-N 3.39Å; T172-R174 PolarHBondContact OG1-N 3.33Å; T172-N175 PolarHBondContact N-OD1 3.15Å; T172-N175 PolarHBondContact O-N 3.03Å; T172-N175 PolarHBondContact O-OD1 3Å; T172-N175 VanDerWaalsContact OG1-CG 3.31Å; T172-N175 PolarHBondContact OG1-N 3.1Å; T172-N175 VanDerWaalsContact OG1-N 3.11Å; T172-N175 PolarHBondContact OG1-ND2 2.89Å; T172-N175 PolarHBondContact OG1-OD1 3.3Å; T172-T176 WeakPolarHBondContact O-CA 3.39Å; T172-T176 WeakPolarHBondContact O-CB 3.43Å; T172-T176 PolarHBondContact O-N 2.84Å; T172-P203 CarbonylContact C-O 3.47Å; T172-P203 WeakPolarHBondContact CA-O 3.42Å; T172-P203 HydrophobicContact CG2-CG 4.12Å
173	K	97.8	Very high	96.6	Very high	63 Å²	63	49 Å²	49	27%	0.274	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-31.6	172.8	-67.2	-174.8	-167.1	158.7	0	111.9	F199 F202 P203 D204	K173-F199 HydrophobicContact CB-CD2 4.33Å; K173-F199 HydrophobicContact CB-CE1 4.48Å; K173-F199 HydrophobicContact CB-CE2 3.43Å; K173-F199 VanDerWaalsContact CB-CE2 3.43Å; K173-F199 HydrophobicContact CB-CZ 3.54Å; K173-F199 HydrophobicContact CD-CD1 4.41Å; K173-F199 HydrophobicContact CD-CE1 3.76Å; K173-F199 HydrophobicContact CD-CE2 4.15Å; K173-F199 HydrophobicContact CD-CZ 3.61Å; K173-F199 HydrophobicContact CG-CD1 4.49Å; K173-F199 HydrophobicContact CG-CD2 4.04Å; K173-F199 HydrophobicContact CG-CE1 4.04Å; K173-F199 HydrophobicContact CG-CE2 3.53Å; K173-F199 HydrophobicContact CG-CZ 3.54Å; K173-F202 VanDerWaalsContact CE-O 3.23Å; K173-F202 WeakPolarHBondContact CE-O 3.28Å; K173-F202 HydrophobicContact CG-CB 4.12Å; K173-P203 PolarHBondContact N-O 3.17Å; K173-D204 VanDerWaalsContact CD-OD1 3.28Å; K173-D204 WeakPolarHBondContact CD-OD1 3.49Å; K173-D204 WeakPolarHBondContact CE-OD1 3.4Å; K173-D204 IonicContact NZ-OD1 3.94Å; K173-D204 PolarHBondContact NZ-OD1 2.91Å
174	R	96.5	Very high	96.7	Very high	188 Å²	188	49 Å²	49	71%	0.709	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-45.6	177.5	-174.2	176.7	-177.8	178.3	0.5	113.5	T172 D204 D205	T172-R174 PolarHBondContact O-N 3.39Å; T172-R174 PolarHBondContact OG1-N 3.33Å; R174-D204 PolarHBondContact N-O 3.19Å; R174-D205 WeakPolarHBondContact CD-OD1 3.46Å; R174-D205 WeakPolarHBondContact CD-OD2 3.43Å; R174-D205 IonicContact CZ-OD2 3.87Å; R174-D205 IonicContact NE-OD2 3.85Å; R174-D205 IonicContact NH1-OD2 3.94Å; R174-D205 PolarHBondContact NH1-OD2 3.06Å
175	N	96.8	Very high	96.6	Very high	33 Å²	33	47.3 Å²	47.3	18%	0.176	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-14.8	-176	70.8	22.7	0	0	0	114	S167 F168 F170 T172	S167-N175 PolarHBondContact O-ND2 2.82Å; F168-N175 HydrophobicContact CD1-CB 4.39Å; F168-N175 HydrophobicContact CE1-CB 4.13Å; F170-N175 PolarHBondContact O-ND2 3.25Å; T172-N175 PolarHBondContact N-OD1 3.15Å; T172-N175 PolarHBondContact O-N 3.03Å; T172-N175 PolarHBondContact O-OD1 3Å; T172-N175 VanDerWaalsContact OG1-CG 3.31Å; T172-N175 PolarHBondContact OG1-N 3.1Å; T172-N175 VanDerWaalsContact OG1-N 3.11Å; T172-N175 PolarHBondContact OG1-ND2 2.89Å; T172-N175 PolarHBondContact OG1-OD1 3.3Å
176	T	97.9	Very high	96.3	Very high	2 Å²	2	49.1 Å²	49.1	1%	0.012	26%	0.257	C	S	.	.	S	Bend	trans	-133	72.6	-178.5	-50.2	0	0	0	0	109.9	T172 L182 I194 F202	T172-T176 WeakPolarHBondContact O-CA 3.39Å; T172-T176 WeakPolarHBondContact O-CB 3.43Å; T172-T176 PolarHBondContact O-N 2.84Å; T176-L182 HydrophobicContact CG2-CD1 4.42Å; T176-L182 HydrophobicContact CG2-CD2 4.47Å; T176-I194 HydrophobicContact CG2-CD1 3.91Å; T176-I194 HydrophobicContact CG2-CG1 3.75Å; T176-I194 HydrophobicContact CG2-CG2 4.48Å; T176-F202 HydrophobicContact CG2-CD2 4.36Å; T176-F202 HydrophobicContact CG2-CE2 3.6Å; T176-F202 HydrophobicContact CG2-CZ 4.33Å
177	P	97.1	Very high	95.7	Very high	67 Å²	67	53.2 Å²	53.2	44%	0.435	28%	0.278	S	S	.	.			trans	-69.7	156.8	-173.2	26.8	-32.9	0	0	0	113	S180	P177-S180 WeakPolarHBondContact O-CB 3.27Å; P177-S180 PolarHBondContact O-N 2.95Å; P177-S180 VanDerWaalsContact O-N 3.15Å; P177-S180 PolarHBondContact O-OG 2.94Å
178	S	97.2	Very high	95.2	Very high	59 Å²	59	57.1 Å²	57.1	41%	0.413	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	140.4	174.4	-171.2	0	0	0	0	111.6	S180 F199	S178-S180 PolarHBondContact O-N 3.41Å; S178-F199 VanDerWaalsContact N-CD2 3.35Å
179	G	96.3	Very high	94.8	Very high	67 Å²	67	55 Å²	55	69%	0.691	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.6	-7.1	-176	0	0	0	0	0	114.7	I194	G179-I194 PolarHBondContact N-O 3.02Å
180	S	97.2	Very high	94.5	Very high	33 Å²	33	56.3 Å²	56.3	23%	0.231	31%	0.308	C	S	.	.			trans	-72.5	171.5	174.2	72.6	0	0	0	0	112.4	P177 S178 I194	P177-S180 WeakPolarHBondContact O-CB 3.27Å; P177-S180 PolarHBondContact O-N 2.95Å; P177-S180 VanDerWaalsContact O-N 3.15Å; P177-S180 PolarHBondContact O-OG 2.94Å; S178-S180 PolarHBondContact O-N 3.41Å; S180-I194 PolarHBondContact O-N 3.18Å; S180-I194 WeakPolarHBondContact OG-CG1 3.3Å
181	K	96.1	Very high	94.3	Very high	164 Å²	164	60.3 Å²	60.3	71%	0.713	33%	0.329	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.3	109.3	-177.6	-80.8	-176.7	-171.7	179.2	0	109.1	I191	K181-I191 HydrophobicContact CB-CG2 3.51Å; K181-I191 HydrophobicContact CD-CG2 4.24Å; K181-I191 HydrophobicContact CG-CG2 3.93Å
182	L	96.6	Very high	94.2	Very high	12 Å²	12	61.5 Å²	61.5	6%	0.063	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	119.6	-179.9	-172.7	67.1	0	0	0	110.4	T171 T176 L192 I194 F301 P331	T171-L182 HydrophobicContact CG2-CD2 4.18Å; T176-L182 HydrophobicContact CG2-CD1 4.42Å; T176-L182 HydrophobicContact CG2-CD2 4.47Å; L182-L192 PolarHBondContact N-O 3.43Å; L182-L192 PolarHBondContact O-N 3.21Å; L182-I194 HydrophobicContact CB-CD1 3.78Å; L182-I194 HydrophobicContact CB-CG1 4.15Å; L182-I194 HydrophobicContact CD2-CD1 4.2Å; L182-F301 HydrophobicContact CD2-CB 4.17Å; L182-F301 HydrophobicContact CD2-CD1 3.77Å; L182-F301 HydrophobicContact CD2-CD2 3.64Å; L182-F301 HydrophobicContact CD2-CE1 4.04Å; L182-F301 HydrophobicContact CD2-CE2 3.91Å; L182-F301 HydrophobicContact CD2-CG 3.55Å; L182-F301 HydrophobicContact CD2-CZ 4.11Å; L182-P331 HydrophobicContact CD1-CG 3.63Å; L182-P331 HydrophobicContact CD2-CG 4.15Å; L182-P331 HydrophobicContact CG-CG 3.85Å
183	R	95.9	Very high	94.2	Very high	124 Å²	124	65.3 Å²	65.3	47%	0.468	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	133.5	174.2	176	175.3	-80.6	-95.9	-3.1	110.1	D187 P331	R183-D187 IonicContact CZ-OD1 2.7Å; R183-D187 IonicContact NH1-OD1 2.58Å; R183-D187 PolarHBondContact NH1-OD1 3.42Å; R183-P331 WeakPolarHBondContact O-CB 3.49Å; R183-P331 WeakPolarHBondContact O-CG 3.2Å
184	Y	96.5	Very high	94.2	Very high	8 Å²	8	62.4 Å²	62.4	3%	0.031	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-66.1	154.8	173.6	-78.6	-79.4	0	0	0	112.5	V186 S189 G190 L192 F301 N303 T304 T307	Y184-V186 PolarHBondContact O-N 2.63Å; Y184-S189 WeakPolarHBondContact CD2-O 3.08Å; Y184-G190 PolarHBondContact N-O 2.86Å; Y184-L192 HydrophobicContact CE2-CB 3.77Å; Y184-F301 WeakPolarHBondContact CA-O 3.42Å; Y184-F301 HydrophobicContact CD1-CB 4.32Å; Y184-F301 VanDerWaalsContact CD1-O 3.32Å; Y184-F301 WeakPolarHBondContact CD1-O 3.36Å; Y184-F301 HydrophobicContact CE1-CB 4.45Å; Y184-F301 HydrophobicContact CE1-CD1 4.4Å; Y184-N303 WeakPolarHBondContact CE1-O 3.44Å; Y184-T304 HydrophobicContact CE2-CG2 4.05Å; Y184-T307 WeakPolarHBondContact CE1-OG1 3.46Å; Y184-T307 PolarHBondContact OH-OG1 3.02Å
185	E	93.2	Very high	94.3	Very high	16 Å²	16	56.3 Å²	56.3	8%	0.075	33%	0.331	C	S	.	.	S	Bend	trans	-58.4	-36.1	172.1	-64.3	172.8	-110.1	0	0	111.7	F301 Y302 P331 L334 R350	E185-F301 PolarHBondContact N-O 3.27Å; E185-Y302 HydrophobicContact CB-CD2 3.89Å; E185-Y302 HydrophobicContact CG-CD2 4.41Å; E185-Y302 WeakPolarHBondContact OE1-CA 3.34Å; E185-Y302 WeakPolarHBondContact OE1-CB 3.42Å; E185-P331 HydrophobicContact CG-CB 3.79Å; E185-L334 VanDerWaalsContact CD-CD1 3.47Å; E185-L334 HydrophobicContact CG-CB 4.44Å; E185-L334 HydrophobicContact CG-CD1 4.45Å; E185-L334 WeakPolarHBondContact OE1-CD1 3.3Å; E185-R350 IonicContact OE1-CZ 3.43Å; E185-R350 IonicContact OE1-NH2 3.95Å; E185-R350 PolarHBondContact OE1-NH2 3.31Å; E185-R350 IonicContact OE2-CZ 3.97Å; E185-R350 IonicContact OE2-NE 3.25Å; E185-R350 PolarHBondContact OE2-NE 3.33Å; E185-R350 IonicContact OE2-NH2 2.81Å; E185-R350 PolarHBondContact OE2-NH2 2.92Å
186	V	89.5	Confident	94.3	Very high	39 Å²	39	58 Å²	58	24%	0.236	34%	0.343	C	S	.	.	S	Bend	trans	-94.8	112.2	176.6	-179.9	0	0	0	0	110	Y184 T188 S189 Y302	Y184-V186 PolarHBondContact O-N 2.63Å; V186-T188 VanDerWaalsContact CG1-OG1 3.32Å; V186-T188 WeakPolarHBondContact CG1-OG1 3.49Å; V186-T188 PolarHBondContact O-N 3.15Å; V186-T188 VanDerWaalsContact O-N 3.09Å; V186-S189 VanDerWaalsContact O-CB 3.31Å; V186-S189 WeakPolarHBondContact O-CB 3.21Å; V186-S189 PolarHBondContact O-N 3.34Å; V186-S189 PolarHBondContact O-OG 2.9Å; V186-Y302 WeakPolarHBondContact CB-O 3.11Å; V186-Y302 HydrophobicContact CG2-CD1 4.36Å; V186-Y302 HydrophobicContact CG2-CD2 3.87Å; V186-Y302 HydrophobicContact CG2-CE1 3.93Å; V186-Y302 HydrophobicContact CG2-CE2 3.37Å; V186-Y302 HydrophobicContact CG2-CG 4.33Å; V186-Y302 WeakPolarHBondContact CG2-O 3.38Å; V186-Y302 PolarHBondContact N-O 2.87Å
187	D	81.2	Confident	94.2	Very high	110 Å²	110	63.5 Å²	63.5	59%	0.588	37%	0.368	S	S	*	.	G	3₁₀ helix	trans	-53.8	-34.8	-175.3	-75.7	-40.8	0	0	0	114.5	R183 S189 G190	R183-D187 IonicContact CZ-OD1 2.7Å; R183-D187 IonicContact NH1-OD1 2.58Å; R183-D187 PolarHBondContact NH1-OD1 3.42Å; D187-S189 PolarHBondContact O-N 2.64Å; D187-S189 VanDerWaalsContact O-N 3.17Å; D187-G190 PolarHBondContact O-N 3.36Å
188	T	85.2	Confident	94.3	Very high	134 Å²	134	61 Å²	61	82%	0.822	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-67.9	-12.2	178.7	59.4	0	0	0	0	113.8	V186 G190	V186-T188 VanDerWaalsContact CG1-OG1 3.32Å; V186-T188 WeakPolarHBondContact CG1-OG1 3.49Å; V186-T188 PolarHBondContact O-N 3.15Å; V186-T188 VanDerWaalsContact O-N 3.09Å; T188-G190 VanDerWaalsContact C-N 3.34Å
189	S	87.8	Confident	94.3	Very high	31 Å²	31	60.6 Å²	60.6	22%	0.217	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-86.1	-6.4	177.3	-54.6	0	0	0	0	113	Y184 V186 D187 N303	Y184-S189 WeakPolarHBondContact CD2-O 3.08Å; V186-S189 VanDerWaalsContact O-CB 3.31Å; V186-S189 WeakPolarHBondContact O-CB 3.21Å; V186-S189 PolarHBondContact O-N 3.34Å; V186-S189 PolarHBondContact O-OG 2.9Å; D187-S189 PolarHBondContact O-N 2.64Å; D187-S189 VanDerWaalsContact O-N 3.17Å; S189-N303 VanDerWaalsContact OG-CB 3.28Å; S189-N303 WeakPolarHBondContact OG-CB 3.5Å
190	G	91.9	Very high	94.3	Very high	30 Å²	30	64.5 Å²	64.5	31%	0.309	34%	0.34	S	S	.	.			trans	74.8	-142.1	175.2	0	0	0	0	0	114.1	Y184 D187 T188	Y184-G190 PolarHBondContact N-O 2.86Å; D187-G190 PolarHBondContact O-N 3.36Å; T188-G190 VanDerWaalsContact C-N 3.34Å
191	I	94.3	Very high	94.3	Very high	85 Å²	85	63.5 Å²	63.5	44%	0.436	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	133.7	-171.8	-62.1	175.9	0	0	0	108.5	K181	K181-I191 HydrophobicContact CB-CG2 3.51Å; K181-I191 HydrophobicContact CD-CG2 4.24Å; K181-I191 HydrophobicContact CG-CG2 3.93Å
192	L	96.1	Very high	94.3	Very high	26 Å²	26	56 Å²	56	14%	0.136	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	116.6	173.2	179.8	63.5	0	0	0	110.2	L182 Y184 I194 I198 F301 T307	L182-L192 PolarHBondContact N-O 3.43Å; L182-L192 PolarHBondContact O-N 3.21Å; Y184-L192 HydrophobicContact CE2-CB 3.77Å; L192-I194 HydrophobicContact CD2-CD1 4.3Å; L192-I194 HydrophobicContact CG-CD1 4.38Å; L192-I198 HydrophobicContact CD1-CD1 4.06Å; L192-I198 HydrophobicContact CD2-CD1 4.26Å; L192-I198 HydrophobicContact CG-CD1 4.29Å; L192-F301 HydrophobicContact CD2-CD1 3.8Å; L192-F301 HydrophobicContact CD2-CE1 3.53Å; L192-T307 HydrophobicContact CD2-CG2 4.39Å
193	P	97.4	Very high	94.3	Very high	80 Å²	80	56.9 Å²	56.9	52%	0.519	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	129.7	166	-16.4	31.1	0	0	0	110.1	T195	P193-T195 PolarHBondContact O-N 3.12Å
194	I	98.1	Very high	94.3	Very high	3 Å²	3	56.4 Å²	56.4	2%	0.015	31%	0.312	C	S	.	.			trans	-84.9	97.2	179.1	-57	-60.2	0	0	0	108.6	T176 G179 S180 L182 L192 I198 F199 F202	T176-I194 HydrophobicContact CG2-CD1 3.91Å; T176-I194 HydrophobicContact CG2-CG1 3.75Å; T176-I194 HydrophobicContact CG2-CG2 4.48Å; G179-I194 PolarHBondContact N-O 3.02Å; S180-I194 PolarHBondContact O-N 3.18Å; S180-I194 WeakPolarHBondContact OG-CG1 3.3Å; L182-I194 HydrophobicContact CB-CD1 3.78Å; L182-I194 HydrophobicContact CB-CG1 4.15Å; L182-I194 HydrophobicContact CD2-CD1 4.2Å; L192-I194 HydrophobicContact CD2-CD1 4.3Å; L192-I194 HydrophobicContact CG-CD1 4.38Å; I194-I198 HydrophobicContact CD1-CG2 4.05Å; I194-I198 HydrophobicContact CG2-CG2 4.3Å; I194-F199 HydrophobicContact CG2-CB 4.13Å; I194-F202 HydrophobicContact CD1-CE2 4.35Å; I194-F202 HydrophobicContact CD1-CZ 4.32Å; I194-F202 HydrophobicContact CG2-CE2 4.1Å
195	T	97.9	Very high	94.2	Very high	59 Å²	59	59.1 Å²	59.1	36%	0.362	33%	0.327	S	S	.	.			trans	-75.1	168.1	175.7	76.9	0	0	0	0	111.3	P193 E197 I198 F199	P193-T195 PolarHBondContact O-N 3.12Å; T195-E197 WeakPolarHBondContact CB-OE2 3.26Å; T195-E197 PolarHBondContact O-N 2.84Å; T195-E197 PolarHBondContact OG1-N 2.87Å; T195-E197 PolarHBondContact OG1-OE2 2.84Å; T195-I198 HydrophobicContact CG2-CD1 4.49Å; T195-I198 PolarHBondContact O-N 3.17Å; T195-I198 PolarHBondContact OG1-N 2.88Å; T195-F199 WeakPolarHBondContact O-CB 3.16Å; T195-F199 PolarHBondContact O-N 3.18Å
196	T	97.6	Very high	94.3	Very high	70 Å²	70	59.4 Å²	59.4	43%	0.429	33%	0.329	S	S	.	.	H	α-helix	trans	-57.6	-36.6	175.5	-57.7	0	0	0	0	112.1	K200	T196-K200 HydrophobicContact CG2-CD 4.5Å; T196-K200 VanDerWaalsContact O-CG 3.27Å; T196-K200 WeakPolarHBondContact O-CG 3.43Å; T196-K200 PolarHBondContact O-N 2.96Å; T196-K200 VanDerWaalsContact O-N 3.08Å
197	E	96.1	Very high	94.4	Very high	116 Å²	116	60.1 Å²	60.1	54%	0.542	34%	0.335	S	S	.	.	H	α-helix	trans	-68.7	-42.5	179.1	-58.7	66.9	-139.6	0	0	111	T195 K200	T195-E197 WeakPolarHBondContact CB-OE2 3.26Å; T195-E197 PolarHBondContact O-N 2.84Å; T195-E197 PolarHBondContact OG1-N 2.87Å; T195-E197 PolarHBondContact OG1-OE2 2.84Å; E197-K200 PolarHBondContact O-N 2.79Å
198	I	97.5	Very high	94.9	Very high	16 Å²	16	56 Å²	56	8%	0.082	31%	0.311	C	S	.	.	H	α-helix	trans	-65.7	-46.5	175.8	-64	173.1	0	0	0	110.5	L192 I194 T195 K200 M201 F202 F311	L192-I198 HydrophobicContact CD1-CD1 4.06Å; L192-I198 HydrophobicContact CD2-CD1 4.26Å; L192-I198 HydrophobicContact CG-CD1 4.29Å; I194-I198 HydrophobicContact CD1-CG2 4.05Å; I194-I198 HydrophobicContact CG2-CG2 4.3Å; T195-I198 HydrophobicContact CG2-CD1 4.49Å; T195-I198 PolarHBondContact O-N 3.17Å; T195-I198 PolarHBondContact OG1-N 2.88Å; I198-K200 VanDerWaalsContact C-N 3.25Å; I198-K200 PolarHBondContact O-N 2.84Å; I198-M201 HydrophobicContact CB-CE 4.3Å; I198-M201 HydrophobicContact CG1-CE 4.15Å; I198-M201 HydrophobicContact CG2-CE 4.48Å; I198-M201 WeakPolarHBondContact O-CB 3.16Å; I198-M201 PolarHBondContact O-N 3.4Å; I198-F202 HydrophobicContact CG2-CE1 4.07Å; I198-F202 HydrophobicContact CG2-CE2 4.11Å; I198-F202 HydrophobicContact CG2-CZ 3.51Å; I198-F311 HydrophobicContact CD1-CE2 4.18Å; I198-F311 HydrophobicContact CD1-CZ 4.49Å; I198-F311 HydrophobicContact CG1-CE2 3.92Å; I198-F311 HydrophobicContact CG1-CZ 4.18Å; I198-F311 HydrophobicContact CG2-CZ 3.98Å
199	F	97.8	Very high	94.8	Very high	50 Å²	50	52.9 Å²	52.9	22%	0.219	30%	0.295	C	S	.	.	H	α-helix	trans	-57.9	-36.7	179.3	178.9	-104.4	0	0	0	112.9	K173 S178 I194 T195 M201 F202	K173-F199 HydrophobicContact CB-CD2 4.33Å; K173-F199 HydrophobicContact CB-CE1 4.48Å; K173-F199 HydrophobicContact CB-CE2 3.43Å; K173-F199 VanDerWaalsContact CB-CE2 3.43Å; K173-F199 HydrophobicContact CB-CZ 3.54Å; K173-F199 HydrophobicContact CD-CD1 4.41Å; K173-F199 HydrophobicContact CD-CE1 3.76Å; K173-F199 HydrophobicContact CD-CE2 4.15Å; K173-F199 HydrophobicContact CD-CZ 3.61Å; K173-F199 HydrophobicContact CG-CD1 4.49Å; K173-F199 HydrophobicContact CG-CD2 4.04Å; K173-F199 HydrophobicContact CG-CE1 4.04Å; K173-F199 HydrophobicContact CG-CE2 3.53Å; K173-F199 HydrophobicContact CG-CZ 3.54Å; S178-F199 VanDerWaalsContact N-CD2 3.35Å; I194-F199 HydrophobicContact CG2-CB 4.13Å; T195-F199 WeakPolarHBondContact O-CB 3.16Å; T195-F199 PolarHBondContact O-N 3.18Å; F199-M201 PolarHBondContact O-N 3.45Å; F199-F202 PolarHBondContact O-N 2.89Å
200	K	96.6	Very high	94.7	Very high	148 Å²	148	56.4 Å²	56.4	64%	0.643	31%	0.306	S	S	*	.	H	α-helix	trans	-65	-21.6	175.8	-77.2	171.8	179.9	178.1	0	113.8	T196 E197 I198 F202	T196-K200 HydrophobicContact CG2-CD 4.5Å; T196-K200 VanDerWaalsContact O-CG 3.27Å; T196-K200 WeakPolarHBondContact O-CG 3.43Å; T196-K200 PolarHBondContact O-N 2.96Å; T196-K200 VanDerWaalsContact O-N 3.08Å; E197-K200 PolarHBondContact O-N 2.79Å; I198-K200 VanDerWaalsContact C-N 3.25Å; I198-K200 PolarHBondContact O-N 2.84Å; K200-F202 VanDerWaalsContact C-N 3.33Å
201	M	96.6	Very high	94.2	Very high	13 Å²	13	56.7 Å²	56.7	6%	0.064	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-14	177.1	-66	-172.2	-82	0	0	113.3	I198 F199 F311 K314 Y315 F328	I198-M201 HydrophobicContact CB-CE 4.3Å; I198-M201 HydrophobicContact CG1-CE 4.15Å; I198-M201 HydrophobicContact CG2-CE 4.48Å; I198-M201 WeakPolarHBondContact O-CB 3.16Å; I198-M201 PolarHBondContact O-N 3.4Å; F199-M201 PolarHBondContact O-N 3.45Å; M201-F311 HydrophobicContact CE-CD1 3.74Å; M201-F311 HydrophobicContact CE-CD2 3.66Å; M201-F311 HydrophobicContact CE-CE1 3.69Å; M201-F311 HydrophobicContact CE-CE2 3.59Å; M201-F311 HydrophobicContact CE-CG 3.73Å; M201-F311 HydrophobicContact CE-CZ 3.6Å; M201-F311 HydrophobicContact SD-CB 4.43Å; M201-F311 HydrophobicContact SD-CD1 4.01Å; M201-F311 HydrophobicContact SD-CE1 4.38Å; M201-F311 HydrophobicContact SD-CG 4.11Å; M201-K314 HydrophobicContact CG-CG 4.21Å; M201-K314 HydrophobicContact SD-CB 4.41Å; M201-K314 HydrophobicContact SD-CG 4.04Å; M201-Y315 HydrophobicContact SD-CD1 4.49Å; M201-Y315 HydrophobicContact SD-CE1 3.61Å; M201-F328 HydrophobicContact CB-CE2 4.34Å
202	F	97.6	Very high	94	Very high	7 Å²	7	56.9 Å²	56.9	3%	0.031	30%	0.303	C	S	.	.	S	Bend	trans	-85.1	145.4	-178.8	-58.3	-22.8	0	0	0	111.5	T171 K173 T176 I194 I198 F199 K200 F301 F328	T171-F202 WeakPolarHBondContact OG1-CE1 3.49Å; K173-F202 VanDerWaalsContact CE-O 3.23Å; K173-F202 WeakPolarHBondContact CE-O 3.28Å; K173-F202 HydrophobicContact CG-CB 4.12Å; T176-F202 HydrophobicContact CG2-CD2 4.36Å; T176-F202 HydrophobicContact CG2-CE2 3.6Å; T176-F202 HydrophobicContact CG2-CZ 4.33Å; I194-F202 HydrophobicContact CD1-CE2 4.35Å; I194-F202 HydrophobicContact CD1-CZ 4.32Å; I194-F202 HydrophobicContact CG2-CE2 4.1Å; I198-F202 HydrophobicContact CG2-CE1 4.07Å; I198-F202 HydrophobicContact CG2-CE2 4.11Å; I198-F202 HydrophobicContact CG2-CZ 3.51Å; F199-F202 PolarHBondContact O-N 2.89Å; K200-F202 VanDerWaalsContact C-N 3.33Å; F202-F301 HydrophobicContact CE1-CE2 4.15Å; F202-F301 AromaticContact CE1-CZ 3.78Å; F202-F301 HydrophobicContact CE1-CZ 3.78Å; F202-F301 HydrophobicContact CZ-CE2 4.25Å; F202-F301 AromaticContact CZ-CZ 3.8Å; F202-F301 HydrophobicContact CZ-CZ 3.8Å; F202-F328 HydrophobicContact CD1-CD2 4.14Å; F202-F328 AromaticContact CE1-CD2 3.95Å; F202-F328 HydrophobicContact CE1-CD2 3.95Å; F202-F328 HydrophobicContact CE1-CE2 4.5Å
203	P	96.6	Very high	94	Very high	29 Å²	29	56.8 Å²	56.8	19%	0.188	30%	0.301	C	S	.	.			trans	-64.8	157.1	167.9	32.3	-38.4	0	0	0	110.2	T171 T172 K173 D205 F327	T171-P203 WeakPolarHBondContact O-CD 3.49Å; T172-P203 CarbonylContact C-O 3.47Å; T172-P203 WeakPolarHBondContact CA-O 3.42Å; T172-P203 HydrophobicContact CG2-CG 4.12Å; K173-P203 PolarHBondContact N-O 3.17Å; P203-D205 PolarHBondContact O-N 3.29Å; P203-F327 HydrophobicContact CB-CD1 4.39Å; P203-F327 HydrophobicContact CB-CE1 4.04Å; P203-F327 HydrophobicContact CG-CD1 3.86Å; P203-F327 HydrophobicContact CG-CE1 3.99Å
204	D	95.3	Very high	94	Very high	114 Å²	114	60 Å²	60	61%	0.61	31%	0.308	S	S	*	.	S	Bend	trans	-61.2	-46.9	180	-65.1	-34.4	0	0	0	111.6	K173 R174	K173-D204 VanDerWaalsContact CD-OD1 3.28Å; K173-D204 WeakPolarHBondContact CD-OD1 3.49Å; K173-D204 WeakPolarHBondContact CE-OD1 3.4Å; K173-D204 IonicContact NZ-OD1 3.94Å; K173-D204 PolarHBondContact NZ-OD1 2.91Å; R174-D204 PolarHBondContact N-O 3.19Å
205	D	94.8	Very high	94	Very high	65 Å²	65	62.1 Å²	62.1	35%	0.348	32%	0.317	S	S	.	.	S	Bend	trans	-144.8	179.3	175.7	-149.8	-13.5	0	0	0	111.7	R174 P203	R174-D205 WeakPolarHBondContact CD-OD1 3.46Å; R174-D205 WeakPolarHBondContact CD-OD2 3.43Å; R174-D205 IonicContact CZ-OD2 3.87Å; R174-D205 IonicContact NE-OD2 3.85Å; R174-D205 IonicContact NH1-OD2 3.94Å; R174-D205 PolarHBondContact NH1-OD2 3.06Å; P203-D205 PolarHBondContact O-N 3.29Å
206	M	93.9	Very high	94.1	Very high	22 Å²	22	59.3 Å²	59.3	11%	0.108	30%	0.299	C	S	.	.			trans	-62.5	122.7	176	-176.3	67.2	-168.1	0	0	109.9	P166 L169 F170 F208 L364	P166-M206 VanDerWaalsContact O-CB 3.25Å; P166-M206 WeakPolarHBondContact O-CB 3.35Å; P166-M206 VanDerWaalsContact O-CG 3.27Å; P166-M206 WeakPolarHBondContact O-CG 3.32Å; L169-M206 HydrophobicContact CB-CE 3.85Å; L169-M206 HydrophobicContact CB-SD 4.07Å; L169-M206 HydrophobicContact CD2-CE 3.85Å; L169-M206 HydrophobicContact CG-CE 4.4Å; F170-M206 HydrophobicContact CD2-CE 3.98Å; F170-M206 HydrophobicContact CD2-SD 3.64Å; F170-M206 HydrophobicContact CE2-CE 3.83Å; F170-M206 HydrophobicContact CE2-SD 4.13Å; F170-M206 HydrophobicContact CG-SD 4.36Å; M206-F208 HydrophobicContact CE-CB 3.9Å; M206-F208 HydrophobicContact CE-CD2 3.67Å; M206-F208 HydrophobicContact CE-CG 4.21Å; M206-F208 WeakPolarHBondContact CG-O 3.47Å; M206-F208 PolarHBondContact O-N 3.35Å; M206-L364 HydrophobicContact CE-CD1 4.45Å
207	P	92.2	Very high	94.1	Very high	55 Å²	55	56.1 Å²	56.1	36%	0.357	28%	0.28	S	S	.	.	S	Bend	trans	-73.7	-13.8	-177.1	30.8	-37.9	0	0	0	113.3	F170 F327	F170-P207 HydrophobicContact CD2-CG 4.33Å; F170-P207 HydrophobicContact CE2-CG 4.2Å; P207-F327 HydrophobicContact CB-CZ 4.21Å; P207-F327 HydrophobicContact CG-CE1 4.07Å; P207-F327 HydrophobicContact CG-CE2 4.04Å; P207-F327 HydrophobicContact CG-CZ 3.68Å
208	F	92.8	Very high	94.2	Very high	22 Å²	22	50.6 Å²	50.6	10%	0.096	25%	0.254	C	S	.	.			trans	-121.9	133.7	-176.3	-43.8	-54	0	0	0	111.6	F170 M206 F213 F239 L262 L364	F170-F208 HydrophobicContact CE2-CD2 4.16Å; F170-F208 AromaticContact CE2-CE2 3.9Å; F170-F208 HydrophobicContact CE2-CE2 3.9Å; F170-F208 HydrophobicContact CZ-CE2 4.36Å; M206-F208 HydrophobicContact CE-CB 3.9Å; M206-F208 HydrophobicContact CE-CD2 3.67Å; M206-F208 HydrophobicContact CE-CG 4.21Å; M206-F208 WeakPolarHBondContact CG-O 3.47Å; M206-F208 PolarHBondContact O-N 3.35Å; F208-F213 HydrophobicContact CB-CE2 4.41Å; F208-F213 HydrophobicContact CD1-CE2 4.28Å; F208-F213 AromaticContact CD1-CZ 3.92Å; F208-F213 HydrophobicContact CD1-CZ 3.92Å; F208-F213 HydrophobicContact CE1-CZ 4.46Å; F208-F213 HydrophobicContact CG-CE2 4.4Å; F208-F213 HydrophobicContact CG-CZ 4.49Å; F208-F239 HydrophobicContact CD1-CE2 4.41Å; F208-F239 AromaticContact CE1-CE2 3.83Å; F208-F239 HydrophobicContact CE1-CE2 3.83Å; F208-F239 HydrophobicContact CE1-CZ 4.14Å; F208-F239 HydrophobicContact CE2-CZ 4.17Å; F208-F239 AromaticContact CZ-CE2 3.97Å; F208-F239 HydrophobicContact CZ-CE2 3.97Å; F208-F239 AromaticContact CZ-CZ 3.8Å; F208-F239 HydrophobicContact CZ-CZ 3.8Å; F208-L262 HydrophobicContact CE2-CD1 3.96Å; F208-L364 HydrophobicContact CB-CD1 4.2Å; F208-L364 HydrophobicContact CB-CD2 4.08Å; F208-L364 HydrophobicContact CD2-CD1 4.22Å
209	S	83	Confident	94.3	Very high	69 Å²	69	49.8 Å²	49.8	48%	0.483	25%	0.25	S	C	.	.			trans	-94	170.8	176.2	67.9	0	0	0	0	111.8	L364	S209-L364 WeakPolarHBondContact O-CD2 3.42Å
210	K	83.9	Confident	94.3	Very high	105 Å²	105	47.7 Å²	47.7	46%	0.457	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	133.1	179.1	-176.3	173	176.9	165.7	0	110.8	S160 P166 Q212	S160-K210 PolarHBondContact OG-NZ 3.26Å; S160-K210 VanDerWaalsContact OG-NZ 3.07Å; P166-K210 HydrophobicContact CG-CB 3.87Å; P166-K210 HydrophobicContact CG-CG 4.47Å; K210-Q212 PolarHBondContact O-N 3.01Å
211	S	81.6	Confident	94.4	Very high	37 Å²	37	41.4 Å²	41.4	26%	0.259	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.3	36.4	-179.6	-55.4	0	0	0	0	113.2	K156 F213 L364	K156-S211 PolarHBondContact NZ-OG 3.42Å; S211-F213 VanDerWaalsContact C-N 3.26Å; S211-F213 PolarHBondContact O-N 3.37Å; S211-L364 CarbonylContact C-O 3.56Å; S211-L364 VanDerWaalsContact C-O 3.29Å; S211-L364 WeakPolarHBondContact CA-O 3.49Å; S211-L364 PolarHBondContact N-O 3.45Å
212	Q	91.1	Very high	94.5	Very high	88 Å²	88	41.2 Å²	41.2	41%	0.411	22%	0.217	S	C	.	.			trans	-65.5	-32.3	180	179.7	176.4	-15.4	0	0	112.3	K210 L364	K210-Q212 PolarHBondContact O-N 3.01Å; Q212-L364 PolarHBondContact N-O 3.05Å
213	F	96.4	Very high	94.5	Very high	24 Å²	24	41.1 Å²	41.1	11%	0.105	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	136.4	-172	-50.3	-67.5	0	0	0	110.4	F208 S211 C216 D238 F239 L364 C365 E366	F208-F213 HydrophobicContact CB-CE2 4.41Å; F208-F213 HydrophobicContact CD1-CE2 4.28Å; F208-F213 AromaticContact CD1-CZ 3.92Å; F208-F213 HydrophobicContact CD1-CZ 3.92Å; F208-F213 HydrophobicContact CE1-CZ 4.46Å; F208-F213 HydrophobicContact CG-CE2 4.4Å; F208-F213 HydrophobicContact CG-CZ 4.49Å; S211-F213 VanDerWaalsContact C-N 3.26Å; S211-F213 PolarHBondContact O-N 3.37Å; F213-C216 VanDerWaalsContact CB-SG 3.51Å; F213-D238 HydrophobicContact CB-CB 4.24Å; F213-F239 HydrophobicContact CB-CB 4.22Å; F213-F239 HydrophobicContact CD1-CB 3.84Å; F213-F239 HydrophobicContact CD1-CD2 4.02Å; F213-F239 HydrophobicContact CD1-CG 4.32Å; F213-F239 HydrophobicContact CD2-CB 3.97Å; F213-F239 HydrophobicContact CD2-CD2 4.15Å; F213-F239 HydrophobicContact CD2-CG 4.09Å; F213-F239 HydrophobicContact CE1-CB 4.19Å; F213-F239 AromaticContact CE1-CD2 3.46Å; F213-F239 HydrophobicContact CE1-CD2 3.46Å; F213-F239 VanDerWaalsContact CE1-CD2 3.46Å; F213-F239 HydrophobicContact CE1-CE2 4.2Å; F213-F239 HydrophobicContact CE1-CG 4.19Å; F213-F239 HydrophobicContact CE2-CB 4.3Å; F213-F239 AromaticContact CE2-CD2 3.61Å; F213-F239 HydrophobicContact CE2-CD2 3.61Å; F213-F239 AromaticContact CE2-CE2 3.98Å; F213-F239 HydrophobicContact CE2-CE2 3.98Å; F213-F239 AromaticContact CE2-CG 3.95Å; F213-F239 HydrophobicContact CE2-CG 3.95Å; F213-F239 HydrophobicContact CG-CB 3.72Å; F213-F239 HydrophobicContact CG-CD2 4.33Å; F213-F239 HydrophobicContact CG-CG 4.27Å; F213-F239 HydrophobicContact CZ-CB 4.41Å; F213-F239 AromaticContact CZ-CD2 3.23Å; F213-F239 HydrophobicContact CZ-CD2 3.23Å; F213-F239 AromaticContact CZ-CE2 3.59Å; F213-F239 HydrophobicContact CZ-CE2 3.59Å; F213-F239 HydrophobicContact CZ-CG 4.01Å; F213-L364 PolarHBondContact N-O 2.94Å; F213-C365 HydrophobicContact CB-CB 4.43Å; F213-C365 CarbonylContact O-C 3.47Å; F213-C365 VanDerWaalsContact O-CA 3.23Å; F213-C365 WeakPolarHBondContact O-CA 3.33Å; F213-E366 PolarHBondContact O-N 2.74Å
214	K	96.8	Very high	94.5	Very high	149 Å²	149	40.4 Å²	40.4	65%	0.648	21%	0.212	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-75.2	-55.6	-179.9	-56.2	177.6	176	177	0	109.8	D238 E366 E367	K214-D238 WeakPolarHBondContact CA-OD2 3.18Å; K214-D238 WeakPolarHBondContact CB-OD2 3.28Å; K214-D238 PolarHBondContact N-OD2 2.96Å; K214-E366 WeakPolarHBondContact O-CB 3.49Å; K214-E367 WeakPolarHBondContact O-CB 3.36Å; K214-E367 PolarHBondContact O-N 2.85Å
215	K	98.3	Very high	94.6	Very high	47 Å²	47	35.3 Å²	35.3	20%	0.204	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	121.8	179.2	-174.8	176.5	178.1	178.5	0	111.1	E233 A237 D238 F239 H369	K215-E233 IonicContact NZ-OE1 3.02Å; K215-E233 PolarHBondContact NZ-OE1 2.7Å; K215-A237 HydrophobicContact CG-CB 4.47Å; K215-D238 PolarHBondContact N-OD2 3.29Å; K215-D238 WeakPolarHBondContact O-CB 3.35Å; K215-D238 PolarHBondContact O-N 2.85Å; K215-F239 PolarHBondContact O-N 3.5Å; K215-H369 VanDerWaalsContact CE-CE1 3.43Å; K215-H369 WeakPolarHBondContact CE-CE1 3.32Å; K215-H369 WeakPolarHBondContact CE-NE2 3.31Å
216	C	98.8	Very high	94.7	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	140.3	173.3	-70.5	0	0	0	0	111.9	F213 F239 F241 C365 E367 H369	F213-C216 VanDerWaalsContact CB-SG 3.51Å; C216-F239 VanDerWaalsContact CA-O 3.28Å; C216-F239 WeakPolarHBondContact CA-O 3.09Å; C216-F241 HydrophobicContact CB-CD2 4.47Å; C216-F241 HydrophobicContact CB-CE2 4.14Å; C216-C365 HydrophobicContact CB-CB 3.61Å; C216-C365 WeakPolarHBondContact CB-SG 3.3Å; C216-C365 WeakPolarHBondContact SG-CB 3.32Å; C216-C365 CovalentContact SG-SG 2.01Å; C216-C365 PolarHBondContact SG-SG 3.03Å; C216-E367 PolarHBondContact N-O 3.39Å; C216-H369 PolarHBondContact O-N 3.34Å
217	A	98.9	Very high	94.8	Very high	2 Å²	2	41.2 Å²	41.2	2%	0.017	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	128.5	168.3	0	0	0	0	0	109.5	I219 I234 A237 F239 V240 F241 H369 Y371	A217-I219 HydrophobicContact CB-CD1 3.94Å; A217-I234 HydrophobicContact CB-CG2 4.33Å; A217-A237 HydrophobicContact CB-CB 3.77Å; A217-F239 PolarHBondContact N-O 3.35Å; A217-V240 HydrophobicContact CB-CG2 4.41Å; A217-V240 WeakPolarHBondContact O-CA 3.22Å; A217-F241 PolarHBondContact O-N 3.43Å; A217-H369 CarbonylContact C-O 3.29Å; A217-H369 WeakPolarHBondContact CA-O 3.3Å; A217-Y371 HydrophobicContact CB-CD2 4.26Å; A217-Y371 HydrophobicContact CB-CE2 3.92Å
218	V	98.9	Very high	95	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	122.5	170	-169.7	0	0	0	0	108.1	F241 L357 V358 A361 V368 H369 L370 Y371 F373	V218-F241 HydrophobicContact CB-CB 4.31Å; V218-F241 HydrophobicContact CG1-CB 4.01Å; V218-F241 HydrophobicContact CG2-CB 4.15Å; V218-F241 HydrophobicContact CG2-CD2 3.96Å; V218-F241 HydrophobicContact CG2-CG 4.32Å; V218-L357 HydrophobicContact CG1-CB 3.99Å; V218-V358 HydrophobicContact CB-CG2 4.3Å; V218-V358 HydrophobicContact CG1-CG2 3.89Å; V218-A361 HydrophobicContact CG2-CB 3.56Å; V218-V368 HydrophobicContact CG2-CG1 4.04Å; V218-H369 PolarHBondContact N-O 2.84Å; V218-L370 HydrophobicContact CB-CD2 3.73Å; V218-L370 HydrophobicContact CG2-CD2 4.04Å; V218-L370 WeakPolarHBondContact O-CA 3.32Å; V218-Y371 PolarHBondContact O-N 3.35Å; V218-F373 HydrophobicContact CB-CE2 4.18Å; V218-F373 HydrophobicContact CG1-CE2 3.86Å; V218-F373 HydrophobicContact CG1-CZ 3.8Å; V218-F373 WeakPolarHBondContact O-CE2 3.23Å
219	I	98.8	Very high	95.3	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	108.2	-175.2	-59.1	78	0	0	0	108.4	A217 I225 I234 V240 F241 R242 C243	A217-I219 HydrophobicContact CB-CD1 3.94Å; I219-I225 HydrophobicContact CG2-CD1 4.33Å; I219-I234 HydrophobicContact CD1-CG2 3.81Å; I219-I234 HydrophobicContact CG1-CD1 4.18Å; I219-I234 HydrophobicContact CG1-CG2 4.09Å; I219-V240 HydrophobicContact CD1-CG1 3.32Å; I219-F241 WeakPolarHBondContact CD1-O 3.45Å; I219-F241 PolarHBondContact N-O 2.81Å; I219-R242 HydrophobicContact CB-CG 4.4Å; I219-R242 HydrophobicContact CD1-CG 4.45Å; I219-C243 PolarHBondContact O-N 2.8Å
220	G	98.3	Very high	96	Very high	5 Å²	5	39.5 Å²	39.5	5%	0.052	19%	0.191	C	C	.	.			trans	-77	166.1	163.4	0	0	0	0	0	111.1	Y371 G372 F373	G220-Y371 PolarHBondContact N-O 3.36Å; G220-G372 CarbonylContact C-O 3.57Å; G220-F373 VanDerWaalsContact N-CE2 3.29Å
221	N	98.1	Very high	96.7	Very high	17 Å²	17	34.6 Å²	34.6	9%	0.091	17%	0.17	C	C	.	.			trans	-92.9	3.5	-174.5	-65.7	-14.7	0	0	0	113.7	C243 P246 H388 Y389 Y390	N221-C243 PolarHBondContact ND2-O 2.86Å; N221-C243 PolarHBondContact OD1-O 3.45Å; N221-P246 WeakPolarHBondContact OD1-CB 3.44Å; N221-P246 WeakPolarHBondContact OD1-CG 3.43Å; N221-H388 CarbonylContact O-C 3.43Å; N221-H388 WeakPolarHBondContact O-CA 3.41Å; N221-Y389 HydrophobicContact CB-CE1 4.38Å; N221-Y389 VanDerWaalsContact O-CD1 3.27Å; N221-Y389 WeakPolarHBondContact O-CD1 3.4Å; N221-Y389 PolarHBondContact O-N 3.23Å; N221-Y390 HydrophobicContact CB-CE1 3.94Å; N221-Y390 PolarHBondContact ND2-OH 3.27Å
222	G	97.9	Very high	97.5	Very high	9 Å²	9	41.8 Å²	41.8	9%	0.093	20%	0.197	C	C	.	.	B	Isolated β-bridge	trans	-59.9	141.5	-171.4	0	0	0	0	0	113.9	I224 I225 G372 H387	G222-I224 PolarHBondContact O-N 2.84Å; G222-I225 WeakPolarHBondContact O-CG2 3.43Å; G222-I225 PolarHBondContact O-N 3.44Å; G222-G372 WeakPolarHBondContact CA-O 3.45Å; G222-G372 PolarHBondContact N-O 3.49Å; G222-H387 VanDerWaalsContact CA-O 3.3Å; G222-H387 WeakPolarHBondContact CA-O 3.21Å
223	G	97.6	Very high	97.8	Very high	4 Å²	4	39.6 Å²	39.6	4%	0.041	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-63.1	-9.1	-180	0	0	0	0	0	115.6	I225 K226 T386 H387	G223-I225 PolarHBondContact O-N 2.83Å; G223-K226 WeakPolarHBondContact O-CB 3.3Å; G223-K226 WeakPolarHBondContact O-CG 3.43Å; G223-K226 PolarHBondContact O-N 2.96Å; G223-T386 WeakPolarHBondContact CA-O 3.27Å; G223-T386 PolarHBondContact N-O 2.84Å; G223-H387 PolarHBondContact N-O 3.35Å; G223-H387 VanDerWaalsContact N-O 3.15Å
224	I	97.4	Very high	97.9	Very high	15 Å²	15	38.5 Å²	38.5	8%	0.077	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-60.9	-26.9	177.3	-167.7	62.7	0	0	0	112.8	G222 K226 W374 N379 I385	G222-I224 PolarHBondContact O-N 2.84Å; I224-K226 PolarHBondContact O-N 2.79Å; I224-W374 HydrophobicContact CB-CB 3.64Å; I224-W374 HydrophobicContact CB-CG 4.11Å; I224-W374 HydrophobicContact CD1-CG 4.45Å; I224-W374 HydrophobicContact CG1-CB 4.13Å; I224-W374 HydrophobicContact CG1-CG 4.23Å; I224-W374 HydrophobicContact CG2-CB 3.52Å; I224-W374 HydrophobicContact CG2-CG 4.46Å; I224-N379 HydrophobicContact CD1-CB 3.55Å; I224-I385 HydrophobicContact CB-CD1 3.99Å; I224-I385 HydrophobicContact CD1-CD1 4.15Å
225	I	97.4	Very high	98	Very high	6 Å²	6	33.8 Å²	33.8	3%	0.031	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-76.6	-11.3	-176.4	-160.3	167	0	0	0	112.9	I219 G222 G223 N227 S228 I234 D255 V256 Y389	I219-I225 HydrophobicContact CG2-CD1 4.33Å; G222-I225 WeakPolarHBondContact O-CG2 3.43Å; G222-I225 PolarHBondContact O-N 3.44Å; G223-I225 PolarHBondContact O-N 2.83Å; I225-N227 PolarHBondContact O-N 3.49Å; I225-S228 WeakPolarHBondContact O-CB 3.32Å; I225-S228 PolarHBondContact O-N 3.44Å; I225-S228 VanDerWaalsContact O-N 3.16Å; I225-S228 PolarHBondContact O-OG 2.89Å; I225-I234 HydrophobicContact CD1-CD1 4.17Å; I225-D255 WeakPolarHBondContact O-CB 3.46Å; I225-V256 HydrophobicContact CD1-CB 4.35Å; I225-V256 HydrophobicContact CD1-CG1 3.89Å; I225-V256 HydrophobicContact CG1-CG1 4.26Å; I225-V256 HydrophobicContact CG2-CG1 3.91Å; I225-Y389 HydrophobicContact CG2-CD1 3.79Å; I225-Y389 HydrophobicContact CG2-CG 3.93Å
226	K	96.8	Very high	98	Very high	101 Å²	101	35.3 Å²	35.3	44%	0.439	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	136	-179.5	-68.1	179.5	66.7	-179.9	0	111.1	G223 I224 S228	G223-K226 WeakPolarHBondContact O-CB 3.3Å; G223-K226 WeakPolarHBondContact O-CG 3.43Å; G223-K226 PolarHBondContact O-N 2.96Å; I224-K226 PolarHBondContact O-N 2.79Å; K226-S228 PolarHBondContact O-N 3.01Å
227	N	95.8	Very high	98	Very high	110 Å²	110	35.4 Å²	35.4	59%	0.588	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.7	17.5	-176.2	-53.7	-44.5	0	0	0	114.5	I225 K229 D255	I225-N227 PolarHBondContact O-N 3.49Å; N227-K229 VanDerWaalsContact C-N 3.35Å; N227-D255 VanDerWaalsContact C-OD1 3.31Å; N227-D255 VanDerWaalsContact CA-OD1 3.28Å; N227-D255 WeakPolarHBondContact CA-OD1 3.14Å; N227-D255 PolarHBondContact N-OD1 3.2Å; N227-D255 PolarHBondContact N-OD2 2.9Å
228	S	97	Very high	98	Very high	4 Å²	4	38.9 Å²	38.9	3%	0.028	20%	0.199	C	C	.	.			trans	-74.1	-25.7	179.4	66.9	0	0	0	0	112.8	I225 K226 C230 D255 G423 R424 C425	I225-S228 WeakPolarHBondContact O-CB 3.32Å; I225-S228 PolarHBondContact O-N 3.44Å; I225-S228 VanDerWaalsContact O-N 3.16Å; I225-S228 PolarHBondContact O-OG 2.89Å; K226-S228 PolarHBondContact O-N 3.01Å; S228-C230 VanDerWaalsContact CB-SG 3.52Å; S228-C230 PolarHBondContact O-N 2.83Å; S228-C230 PolarHBondContact OG-N 2.81Å; S228-C230 PolarHBondContact OG-SG 3.46Å; S228-D255 PolarHBondContact N-OD1 3.36Å; S228-D255 PolarHBondContact OG-O 3.42Å; S228-G423 WeakPolarHBondContact CB-O 3.33Å; S228-R424 CarbonylContact O-C 3.6Å; S228-R424 WeakPolarHBondContact O-CA 3.35Å; S228-C425 PolarHBondContact O-N 3.36Å
229	K	97.9	Very high	97.9	Very high	105 Å²	105	39.4 Å²	39.4	46%	0.457	20%	0.201	S	C	.	.			trans	58.9	21.4	-171.9	-53.9	-56.1	-175.6	-172.7	0	114.5	N227 G231 A254 D255	N227-K229 VanDerWaalsContact C-N 3.35Å; K229-G231 PolarHBondContact O-N 2.92Å; K229-A254 CarbonylContact C-O 3.6Å; K229-A254 WeakPolarHBondContact CA-O 3.41Å; K229-A254 HydrophobicContact CD-CB 4.28Å; K229-D255 PolarHBondContact N-OD1 3.1Å
230	C	98.5	Very high	97.9	Very high	2 Å²	2	39.4 Å²	39.4	1%	0.014	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-1.8	-178.7	-65.1	0	0	0	0	115.4	S228 K232 E233 I234 Y371 C425	S228-C230 VanDerWaalsContact CB-SG 3.52Å; S228-C230 PolarHBondContact O-N 2.83Å; S228-C230 PolarHBondContact OG-N 2.81Å; S228-C230 PolarHBondContact OG-SG 3.46Å; C230-K232 VanDerWaalsContact C-N 3.35Å; C230-K232 PolarHBondContact O-N 2.93Å; C230-E233 PolarHBondContact O-N 3.36Å; C230-I234 HydrophobicContact CB-CD1 3.99Å; C230-I234 HydrophobicContact CB-CG1 4.43Å; C230-I234 WeakPolarHBondContact O-CG1 3.33Å; C230-I234 PolarHBondContact O-N 2.96Å; C230-Y371 HydrophobicContact CB-CD1 3.99Å; C230-Y371 HydrophobicContact CB-CE1 4.07Å; C230-C425 VanDerWaalsContact CA-SG 3.54Å; C230-C425 HydrophobicContact CB-CB 3.8Å; C230-C425 WeakPolarHBondContact CB-SG 3.48Å; C230-C425 WeakPolarHBondContact SG-CB 3.27Å; C230-C425 CovalentContact SG-SG 2.03Å; C230-C425 PolarHBondContact SG-SG 2.94Å
231	G	98.4	Very high	98	Very high	2 Å²	2	39.1 Å²	39.1	2%	0.021	20%	0.199	C	C	.	.	H	α-helix	trans	-57.9	-43.3	-172.6	0	0	0	0	0	114.1	K229 I234 D235 A254 D255	K229-G231 PolarHBondContact O-N 2.92Å; G231-I234 PolarHBondContact O-N 3.24Å; G231-D235 WeakPolarHBondContact O-CB 3.2Å; G231-D235 VanDerWaalsContact O-CG 3.25Å; G231-D235 PolarHBondContact O-N 3.45Å; G231-A254 PolarHBondContact N-O 2.84Å; G231-D255 PolarHBondContact N-O 3Å
232	K	98.3	Very high	98	Very high	188 Å²	188	38.3 Å²	38.3	82%	0.817	20%	0.195	S	C	*	.	H	α-helix	trans	-65.3	-41.4	178.5	-69	-175.7	178.4	-179.3	0	112.9	C230 D235 S236	C230-K232 VanDerWaalsContact C-N 3.35Å; C230-K232 PolarHBondContact O-N 2.93Å; K232-D235 PolarHBondContact O-N 3.46Å; K232-S236 PolarHBondContact O-N 3.02Å; K232-S236 VanDerWaalsContact O-N 3.15Å
233	E	98.3	Very high	98	Very high	42 Å²	42	38.1 Å²	38.1	20%	0.196	19%	0.192	C	C	.	.	H	α-helix	trans	-68.2	-38	177.5	-172.9	-177.2	162.8	0	0	111.5	K215 C230 S236 H369 Y371 H421 C425	K215-E233 IonicContact NZ-OE1 3.02Å; K215-E233 PolarHBondContact NZ-OE1 2.7Å; C230-E233 PolarHBondContact O-N 3.36Å; E233-S236 PolarHBondContact O-N 3.19Å; E233-S236 PolarHBondContact O-OG 3.15Å; E233-H369 IonicContact OE1-CE1 3.96Å; E233-H369 IonicContact OE1-ND1 2.73Å; E233-Y371 VanDerWaalsContact CD-OH 3.27Å; E233-Y371 PolarHBondContact OE1-OH 3.14Å; E233-H421 IonicContact OE1-CE1 3.95Å; E233-C425 PolarHBondContact OE2-SG 3.25Å; E233-C425 VanDerWaalsContact OE2-SG 3.41Å
234	I	98.6	Very high	98	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-61.2	-48.1	174.7	-72.6	164.3	0	0	0	110.3	A217 I219 I225 C230 G231 S236 A237 V240 Y371	A217-I234 HydrophobicContact CB-CG2 4.33Å; I219-I234 HydrophobicContact CD1-CG2 3.81Å; I219-I234 HydrophobicContact CG1-CD1 4.18Å; I219-I234 HydrophobicContact CG1-CG2 4.09Å; I225-I234 HydrophobicContact CD1-CD1 4.17Å; C230-I234 HydrophobicContact CB-CD1 3.99Å; C230-I234 HydrophobicContact CB-CG1 4.43Å; C230-I234 WeakPolarHBondContact O-CG1 3.33Å; C230-I234 PolarHBondContact O-N 2.96Å; G231-I234 PolarHBondContact O-N 3.24Å; I234-S236 PolarHBondContact O-N 2.03Å; I234-A237 WeakPolarHBondContact O-CB 3.46Å; I234-A237 PolarHBondContact O-N 3.46Å; I234-A237 VanDerWaalsContact O-N 3.14Å; I234-V240 HydrophobicContact CG2-CG1 4.21Å; I234-Y371 HydrophobicContact CD1-CD1 4.1Å; I234-Y371 HydrophobicContact CD1-CD2 4.15Å; I234-Y371 HydrophobicContact CD1-CG 3.88Å; I234-Y371 HydrophobicContact CG1-CD1 4.07Å; I234-Y371 HydrophobicContact CG1-CD2 3.7Å; I234-Y371 HydrophobicContact CG1-CE1 4.11Å; I234-Y371 HydrophobicContact CG1-CE2 3.71Å; I234-Y371 HydrophobicContact CG1-CG 3.87Å
235	D	98.4	Very high	98	Very high	51 Å²	51	39.2 Å²	39.2	27%	0.273	20%	0.197	S	C	.	.	H	α-helix	trans	-69.4	-17.8	-177	-67.8	-18.5	0	0	0	112.7	G231 K232 A237 G257 T258 K259	G231-D235 WeakPolarHBondContact O-CB 3.2Å; G231-D235 VanDerWaalsContact O-CG 3.25Å; G231-D235 PolarHBondContact O-N 3.45Å; K232-D235 PolarHBondContact O-N 3.46Å; D235-A237 VanDerWaalsContact C-N 3.32Å; D235-G257 VanDerWaalsContact OD1-CA 3.3Å; D235-G257 WeakPolarHBondContact OD1-CA 3.36Å; D235-G257 WeakPolarHBondContact OD2-CA 3.41Å; D235-T258 PolarHBondContact OD1-N 2.88Å; D235-T258 PolarHBondContact OD2-N 3.26Å; D235-T258 VanDerWaalsContact OD2-N 3.08Å; D235-K259 HydrophobicContact CB-CB 4.08Å; D235-K259 WeakPolarHBondContact O-CD 3.49Å; D235-K259 WeakPolarHBondContact OD1-CB 3.3Å; D235-K259 PolarHBondContact OD1-N 3.41Å
236	S	98.2	Very high	98	Very high	79 Å²	79	39 Å²	39	55%	0.552	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81	-6.7	174.6	92.2	0	0	0	0	114.1	K232 E233 I234	K232-S236 PolarHBondContact O-N 3.02Å; K232-S236 VanDerWaalsContact O-N 3.15Å; E233-S236 PolarHBondContact O-N 3.19Å; E233-S236 PolarHBondContact O-OG 3.15Å; I234-S236 PolarHBondContact O-N 2.03Å
237	A	98.4	Very high	98	Very high	2 Å²	2	36.4 Å²	36.4	2%	0.017	19%	0.189	C	C	.	.	S	Bend	trans	-69.5	153.5	176.2	0	0	0	0	0	110.9	K215 A217 I234 D235 F239 V240 K259	K215-A237 HydrophobicContact CG-CB 4.47Å; A217-A237 HydrophobicContact CB-CB 3.77Å; I234-A237 WeakPolarHBondContact O-CB 3.46Å; I234-A237 PolarHBondContact O-N 3.46Å; I234-A237 VanDerWaalsContact O-N 3.14Å; D235-A237 VanDerWaalsContact C-N 3.32Å; A237-F239 VanDerWaalsContact C-N 3.34Å; A237-V240 HydrophobicContact CB-CG2 4.21Å; A237-K259 PolarHBondContact O-NZ 3.34Å
238	D	98.3	Very high	98	Very high	75 Å²	75	31.6 Å²	31.6	40%	0.401	16%	0.164	S	C	.	.	S	Bend	trans	-66.5	-40.1	176.8	-61.7	-40.9	0	0	0	110.9	F213 K214 K215 K259	F213-D238 HydrophobicContact CB-CB 4.24Å; K214-D238 WeakPolarHBondContact CA-OD2 3.18Å; K214-D238 WeakPolarHBondContact CB-OD2 3.28Å; K214-D238 PolarHBondContact N-OD2 2.96Å; K215-D238 PolarHBondContact N-OD2 3.29Å; K215-D238 WeakPolarHBondContact O-CB 3.35Å; K215-D238 PolarHBondContact O-N 2.85Å; D238-K259 PolarHBondContact O-NZ 3.01Å
239	F	98.6	Very high	97.9	Very high	10 Å²	10	35.4 Å²	35.4	4%	0.044	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	133.8	-178.6	-162.4	-80.7	0	0	0	112.2	F208 F213 K215 C216 A217 A237 F241 D261 L262	F208-F239 HydrophobicContact CD1-CE2 4.41Å; F208-F239 AromaticContact CE1-CE2 3.83Å; F208-F239 HydrophobicContact CE1-CE2 3.83Å; F208-F239 HydrophobicContact CE1-CZ 4.14Å; F208-F239 HydrophobicContact CE2-CZ 4.17Å; F208-F239 AromaticContact CZ-CE2 3.97Å; F208-F239 HydrophobicContact CZ-CE2 3.97Å; F208-F239 AromaticContact CZ-CZ 3.8Å; F208-F239 HydrophobicContact CZ-CZ 3.8Å; F213-F239 HydrophobicContact CB-CB 4.22Å; F213-F239 HydrophobicContact CD1-CB 3.84Å; F213-F239 HydrophobicContact CD1-CD2 4.02Å; F213-F239 HydrophobicContact CD1-CG 4.32Å; F213-F239 HydrophobicContact CD2-CB 3.97Å; F213-F239 HydrophobicContact CD2-CD2 4.15Å; F213-F239 HydrophobicContact CD2-CG 4.09Å; F213-F239 HydrophobicContact CE1-CB 4.19Å; F213-F239 AromaticContact CE1-CD2 3.46Å; F213-F239 HydrophobicContact CE1-CD2 3.46Å; F213-F239 VanDerWaalsContact CE1-CD2 3.46Å; F213-F239 HydrophobicContact CE1-CE2 4.2Å; F213-F239 HydrophobicContact CE1-CG 4.19Å; F213-F239 HydrophobicContact CE2-CB 4.3Å; F213-F239 AromaticContact CE2-CD2 3.61Å; F213-F239 HydrophobicContact CE2-CD2 3.61Å; F213-F239 AromaticContact CE2-CE2 3.98Å; F213-F239 HydrophobicContact CE2-CE2 3.98Å; F213-F239 AromaticContact CE2-CG 3.95Å; F213-F239 HydrophobicContact CE2-CG 3.95Å; F213-F239 HydrophobicContact CG-CB 3.72Å; F213-F239 HydrophobicContact CG-CD2 4.33Å; F213-F239 HydrophobicContact CG-CG 4.27Å; F213-F239 HydrophobicContact CZ-CB 4.41Å; F213-F239 AromaticContact CZ-CD2 3.23Å; F213-F239 HydrophobicContact CZ-CD2 3.23Å; F213-F239 AromaticContact CZ-CE2 3.59Å; F213-F239 HydrophobicContact CZ-CE2 3.59Å; F213-F239 HydrophobicContact CZ-CG 4.01Å; K215-F239 PolarHBondContact O-N 3.5Å; C216-F239 VanDerWaalsContact CA-O 3.28Å; C216-F239 WeakPolarHBondContact CA-O 3.09Å; A217-F239 PolarHBondContact N-O 3.35Å; A237-F239 VanDerWaalsContact C-N 3.34Å; F239-F241 HydrophobicContact CD1-CD1 4.32Å; F239-F241 AromaticContact CD1-CD2 3.65Å; F239-F241 HydrophobicContact CD1-CD2 3.65Å; F239-F241 HydrophobicContact CD1-CE1 4.01Å; F239-F241 AromaticContact CD1-CE2 3.28Å; F239-F241 HydrophobicContact CD1-CE2 3.28Å; F239-F241 HydrophobicContact CD1-CG 4.16Å; F239-F241 AromaticContact CD1-CZ 3.48Å; F239-F241 HydrophobicContact CD1-CZ 3.48Å; F239-F241 VanDerWaalsContact CD1-CZ 3.48Å; F239-F241 AromaticContact CE1-CD1 3.84Å; F239-F241 HydrophobicContact CE1-CD1 3.84Å; F239-F241 HydrophobicContact CE1-CD2 4.03Å; F239-F241 AromaticContact CE1-CE1 3.49Å; F239-F241 HydrophobicContact CE1-CE1 3.49Å; F239-F241 VanDerWaalsContact CE1-CE1 3.49Å; F239-F241 AromaticContact CE1-CE2 3.7Å; F239-F241 HydrophobicContact CE1-CE2 3.7Å; F239-F241 HydrophobicContact CE1-CG 4.09Å; F239-F241 AromaticContact CE1-CZ 3.4Å; F239-F241 HydrophobicContact CE1-CZ 3.4Å; F239-F241 VanDerWaalsContact CE1-CZ 3.4Å; F239-F241 HydrophobicContact CG-CE2 4.31Å; F239-F241 HydrophobicContact CZ-CE1 4.44Å; F239-F241 HydrophobicContact CZ-CZ 4.42Å; F239-D261 WeakPolarHBondContact CA-OD2 2.97Å; F239-D261 HydrophobicContact CD1-CB 3.96Å; F239-D261 HydrophobicContact CD2-CB 3.63Å; F239-D261 HydrophobicContact CE1-CB 3.82Å; F239-D261 HydrophobicContact CE2-CB 3.5Å; F239-D261 HydrophobicContact CG-CB 3.89Å; F239-D261 HydrophobicContact CZ-CB 3.61Å; F239-L262 HydrophobicContact CE1-CB 3.64Å; F239-L262 HydrophobicContact CZ-CB 3.79Å; F239-L262 HydrophobicContact CZ-CD1 4.38Å
240	V	98.8	Very high	97.8	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	115.5	-173.5	-175.8	0	0	0	0	111.6	A217 I219 I234 A237 R242 K259 D261 L262	A217-V240 HydrophobicContact CB-CG2 4.41Å; A217-V240 WeakPolarHBondContact O-CA 3.22Å; I219-V240 HydrophobicContact CD1-CG1 3.32Å; I234-V240 HydrophobicContact CG2-CG1 4.21Å; A237-V240 HydrophobicContact CB-CG2 4.21Å; V240-R242 HydrophobicContact CG1-CG 4.31Å; V240-K259 HydrophobicContact CB-CG 4.32Å; V240-K259 WeakPolarHBondContact CG1-O 3.47Å; V240-K259 HydrophobicContact CG2-CB 4.12Å; V240-K259 HydrophobicContact CG2-CD 3.83Å; V240-K259 HydrophobicContact CG2-CG 3.79Å; V240-D261 PolarHBondContact N-OD2 3.07Å; V240-D261 PolarHBondContact O-N 3.2Å; V240-L262 PolarHBondContact O-N 3.25Å; V240-L262 VanDerWaalsContact O-N 3.12Å
241	F	98.9	Very high	97.7	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	127.5	175.7	-63.5	-93.1	0	0	0	110.9	C216 A217 V218 I219 F239 L262 L357 A361 L364	C216-F241 HydrophobicContact CB-CD2 4.47Å; C216-F241 HydrophobicContact CB-CE2 4.14Å; A217-F241 PolarHBondContact O-N 3.43Å; V218-F241 HydrophobicContact CB-CB 4.31Å; V218-F241 HydrophobicContact CG1-CB 4.01Å; V218-F241 HydrophobicContact CG2-CB 4.15Å; V218-F241 HydrophobicContact CG2-CD2 3.96Å; V218-F241 HydrophobicContact CG2-CG 4.32Å; I219-F241 WeakPolarHBondContact CD1-O 3.45Å; I219-F241 PolarHBondContact N-O 2.81Å; F239-F241 HydrophobicContact CD1-CD1 4.32Å; F239-F241 AromaticContact CD1-CD2 3.65Å; F239-F241 HydrophobicContact CD1-CD2 3.65Å; F239-F241 HydrophobicContact CD1-CE1 4.01Å; F239-F241 AromaticContact CD1-CE2 3.28Å; F239-F241 HydrophobicContact CD1-CE2 3.28Å; F239-F241 HydrophobicContact CD1-CG 4.16Å; F239-F241 AromaticContact CD1-CZ 3.48Å; F239-F241 HydrophobicContact CD1-CZ 3.48Å; F239-F241 VanDerWaalsContact CD1-CZ 3.48Å; F239-F241 AromaticContact CE1-CD1 3.84Å; F239-F241 HydrophobicContact CE1-CD1 3.84Å; F239-F241 HydrophobicContact CE1-CD2 4.03Å; F239-F241 AromaticContact CE1-CE1 3.49Å; F239-F241 HydrophobicContact CE1-CE1 3.49Å; F239-F241 VanDerWaalsContact CE1-CE1 3.49Å; F239-F241 AromaticContact CE1-CE2 3.7Å; F239-F241 HydrophobicContact CE1-CE2 3.7Å; F239-F241 HydrophobicContact CE1-CG 4.09Å; F239-F241 AromaticContact CE1-CZ 3.4Å; F239-F241 HydrophobicContact CE1-CZ 3.4Å; F239-F241 VanDerWaalsContact CE1-CZ 3.4Å; F239-F241 HydrophobicContact CG-CE2 4.31Å; F239-F241 HydrophobicContact CZ-CE1 4.44Å; F239-F241 HydrophobicContact CZ-CZ 4.42Å; F241-L262 CarbonylContact C-O 3.46Å; F241-L262 WeakPolarHBondContact CA-O 3.37Å; F241-L262 HydrophobicContact CD1-CB 4.13Å; F241-L262 HydrophobicContact CD1-CD1 4.37Å; F241-L262 HydrophobicContact CD1-CD2 4Å; F241-L262 HydrophobicContact CD1-CG 4.4Å; F241-L262 HydrophobicContact CE1-CB 4.49Å; F241-L262 HydrophobicContact CE1-CD1 4.17Å; F241-L357 HydrophobicContact CB-CB 4.48Å; F241-L357 HydrophobicContact CB-CD1 4.1Å; F241-L357 HydrophobicContact CD1-CD2 4.2Å; F241-A361 HydrophobicContact CD2-CB 4.1Å; F241-A361 HydrophobicContact CE2-CB 3.77Å; F241-A361 HydrophobicContact CZ-CB 4.27Å; F241-L364 HydrophobicContact CZ-CD1 4.39Å
242	R	98.8	Very high	97.7	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	145.5	175.6	-63.5	-170.5	-174.4	-87.8	-4.2	112.5	I219 V240 V256 G257 K259 T260 L262 V263 T264 L357	I219-R242 HydrophobicContact CB-CG 4.4Å; I219-R242 HydrophobicContact CD1-CG 4.45Å; V240-R242 HydrophobicContact CG1-CG 4.31Å; R242-V256 VanDerWaalsContact CZ-O 3.27Å; R242-V256 PolarHBondContact NH1-O 2.8Å; R242-V256 PolarHBondContact NH2-O 3.48Å; R242-G257 PolarHBondContact NH2-O 2.9Å; R242-K259 PolarHBondContact NE-O 3.35Å; R242-K259 PolarHBondContact NH2-O 3.25Å; R242-T260 HydrophobicContact CB-CG2 4.28Å; R242-T260 WeakPolarHBondContact CD-OG1 3.37Å; R242-T260 HydrophobicContact CG-CG2 4.03Å; R242-T260 PolarHBondContact NE-OG1 2.53Å; R242-L262 PolarHBondContact N-O 3.15Å; R242-V263 HydrophobicContact CB-CB 4.26Å; R242-V263 HydrophobicContact CB-CG2 3.96Å; R242-V263 VanDerWaalsContact O-CA 3.31Å; R242-V263 WeakPolarHBondContact O-CA 3.2Å; R242-T264 PolarHBondContact O-N 3.07Å; R242-L357 WeakPolarHBondContact O-CD1 3.01Å
243	C	97.1	Very high	97.6	Very high	5 Å²	5	40.6 Å²	40.6	3%	0.034	21%	0.212	C	C	.	.	S	Bend	trans	-98.5	122.9	-178.7	-60.3	0	0	0	0	111.9	I219 N221 V245 P246 T264	I219-C243 PolarHBondContact O-N 2.8Å; N221-C243 PolarHBondContact ND2-O 2.86Å; N221-C243 PolarHBondContact OD1-O 3.45Å; C243-V245 PolarHBondContact O-N 2.95Å; C243-P246 VanDerWaalsContact O-CD 3.28Å; C243-P246 WeakPolarHBondContact O-CD 3.28Å; C243-T264 WeakPolarHBondContact CA-OG1 3.14Å
244	N	97.6	Very high	97.6	Very high	32 Å²	32	40.7 Å²	40.7	17%	0.171	22%	0.22	C	C	.	.	S	Bend	trans	64.5	42	159.4	-59.8	-35.4	0	0	0	114.8	T264 N266 I269 S353	N244-T264 CarbonylContact C-O 3.23Å; N244-T264 WeakPolarHBondContact CA-O 3.37Å; N244-T264 PolarHBondContact N-O 3.29Å; N244-T264 PolarHBondContact N-OG1 3.31Å; N244-T264 PolarHBondContact OD1-OG1 3.24Å; N244-N266 PolarHBondContact OD1-N 2.81Å; N244-I269 HydrophobicContact CB-CD1 3.91Å; N244-I269 WeakPolarHBondContact O-CD1 3.33Å; N244-S353 PolarHBondContact ND2-OG 3.17Å; N244-S353 PolarHBondContact OD1-OG 2.99Å
245	V	97.8	Very high	97.6	Very high	10 Å²	10	41.4 Å²	41.4	6%	0.061	22%	0.224	C	C	.	.			trans	42.2	60.9	177.3	-68.3	0	0	0	0	113.7	C243 V263 T264 I265 I269 L288 Y291	C243-V245 PolarHBondContact O-N 2.95Å; V245-V263 HydrophobicContact CB-CG2 4.41Å; V245-V263 HydrophobicContact CG1-CG1 4.25Å; V245-V263 HydrophobicContact CG1-CG2 3.75Å; V245-T264 PolarHBondContact N-O 3.28Å; V245-T264 VanDerWaalsContact N-O 3.14Å; V245-I265 HydrophobicContact CG1-CG1 3.7Å; V245-I269 HydrophobicContact CG2-CD1 3.88Å; V245-I269 HydrophobicContact CG2-CG2 4.3Å; V245-L288 HydrophobicContact CG1-CD2 3.95Å; V245-Y291 VanDerWaalsContact CA-OH 3.29Å; V245-Y291 WeakPolarHBondContact CA-OH 3.44Å; V245-Y291 HydrophobicContact CB-CE2 4.1Å; V245-Y291 HydrophobicContact CG1-CE2 4.12Å; V245-Y291 PolarHBondContact O-OH 3.35Å
246	P	97.1	Very high	97.6	Very high	1 Å²	1	39 Å²	39	1%	0.006	21%	0.211	C	C	.	.			trans	-84.2	145.7	-177.1	40	-35.3	0	0	0	110.7	N221 C243 I248 Y291 Y389 Y390	N221-P246 WeakPolarHBondContact OD1-CB 3.44Å; N221-P246 WeakPolarHBondContact OD1-CG 3.43Å; C243-P246 VanDerWaalsContact O-CD 3.28Å; C243-P246 WeakPolarHBondContact O-CD 3.28Å; P246-I248 PolarHBondContact O-N 2.82Å; P246-Y291 VanDerWaalsContact N-OH 3.09Å; P246-Y291 PolarHBondContact O-OH 3.06Å; P246-Y389 HydrophobicContact CB-CE1 4.36Å; P246-Y389 VanDerWaalsContact CB-OH 3.25Å; P246-Y389 WeakPolarHBondContact CB-OH 3.38Å; P246-Y389 WeakPolarHBondContact CG-OH 3.33Å; P246-Y390 HydrophobicContact CB-CD1 4.3Å; P246-Y390 HydrophobicContact CB-CE1 3.61Å
247	P	96.9	Very high	97.6	Very high	46 Å²	46	35.2 Å²	35.2	30%	0.299	19%	0.185	S	C	.	.			trans	-61.3	130.1	-174.8	26.8	-36.3	0	0	0	112.5	Y252 Y389 Y390	P247-Y252 HydrophobicContact CB-CD2 4.06Å; P247-Y252 HydrophobicContact CB-CE2 3.98Å; P247-Y252 HydrophobicContact CG-CD2 4.14Å; P247-Y252 HydrophobicContact CG-CE2 3.86Å; P247-Y252 WeakPolarHBondContact O-CD2 3.5Å; P247-Y389 WeakPolarHBondContact O-CE2 3.41Å; P247-Y389 PolarHBondContact O-OH 3.44Å; P247-Y390 VanDerWaalsContact CG-CB 3.43Å; P247-Y390 HydrophobicContact CG-CD1 3.77Å; P247-Y390 HydrophobicContact CG-CD2 4.2Å; P247-Y390 HydrophobicContact CG-CG 3.53Å
248	I	97.1	Very high	97.6	Very high	9 Å²	9	38.8 Å²	38.8	5%	0.046	21%	0.207	C	C	.	.			trans	-121.6	22.3	-179.3	57	164.4	0	0	0	113.4	P246 V256 N290 Y291	P246-I248 PolarHBondContact O-N 2.82Å; I248-V256 HydrophobicContact CG2-CG2 4Å; I248-N290 VanDerWaalsContact CD1-O 3.27Å; I248-N290 WeakPolarHBondContact CD1-O 3.25Å; I248-N290 HydrophobicContact CG1-CB 4.47Å; I248-Y291 HydrophobicContact CD1-CD1 3.75Å; I248-Y291 HydrophobicContact CD1-CE1 3.84Å; I248-Y291 HydrophobicContact CG1-CD1 4.4Å; I248-Y291 HydrophobicContact CG1-CE1 4.02Å; I248-Y291 HydrophobicContact CG2-CE1 4.33Å
249	N	94.5	Very high	97.6	Very high	85 Å²	85	38.3 Å²	38.3	46%	0.455	20%	0.201	S	C	.	.	S	Bend	trans	-65.8	175.7	178.6	62.8	22.5	0	0	0	112.6	K251 Y252 S253	N249-K251 PolarHBondContact O-N 3.47Å; N249-K251 WeakPolarHBondContact OD1-CB 3.48Å; N249-K251 PolarHBondContact OD1-N 3.49Å; N249-Y252 PolarHBondContact O-N 3.23Å; N249-Y252 WeakPolarHBondContact OD1-CD2 3.48Å; N249-S253 PolarHBondContact O-N 3.11Å
250	E	94.9	Very high	97.6	Very high	185 Å²	185	38.6 Å²	38.6	86%	0.864	20%	0.204	S	C	*	.	H	α-helix	trans	-51.3	-28.1	-175.5	-63.9	-179.4	173.8	0	0	114.6	Y252	E250-Y252 VanDerWaalsContact C-N 3.26Å; E250-Y252 PolarHBondContact O-N 3.33Å
251	K	96.5	Very high	97.6	Very high	156 Å²	156	40.9 Å²	40.9	68%	0.678	22%	0.216	S	C	*	.	H	α-helix	trans	-64.3	-31.1	176.1	-175.2	179.6	175.5	-171.6	0	112.8	N249	N249-K251 PolarHBondContact O-N 3.47Å; N249-K251 WeakPolarHBondContact OD1-CB 3.48Å; N249-K251 PolarHBondContact OD1-N 3.49Å
252	Y	97.9	Very high	97.6	Very high	30 Å²	30	41 Å²	41	12%	0.118	22%	0.216	C	C	.	.	H	α-helix	trans	-114.2	-22.7	-173.5	-54	-63.4	0	0	0	113.2	P247 N249 E250 A254 D255 V256 Y389	P247-Y252 HydrophobicContact CB-CD2 4.06Å; P247-Y252 HydrophobicContact CB-CE2 3.98Å; P247-Y252 HydrophobicContact CG-CD2 4.14Å; P247-Y252 HydrophobicContact CG-CE2 3.86Å; P247-Y252 WeakPolarHBondContact O-CD2 3.5Å; N249-Y252 PolarHBondContact O-N 3.23Å; N249-Y252 WeakPolarHBondContact OD1-CD2 3.48Å; E250-Y252 VanDerWaalsContact C-N 3.26Å; E250-Y252 PolarHBondContact O-N 3.33Å; Y252-A254 PolarHBondContact O-N 3.24Å; Y252-A254 VanDerWaalsContact O-N 3.13Å; Y252-D255 PolarHBondContact O-N 3.35Å; Y252-V256 WeakPolarHBondContact O-CG2 3.19Å; Y252-V256 PolarHBondContact O-N 2.86Å; Y252-Y389 AromaticContact CD1-CD2 3.72Å; Y252-Y389 HydrophobicContact CD1-CD2 3.72Å; Y252-Y389 HydrophobicContact CD1-CE2 4.12Å; Y252-Y389 HydrophobicContact CD2-CE2 4.3Å; Y252-Y389 HydrophobicContact CE1-CD2 4.2Å; Y252-Y389 AromaticContact CG-CD2 3.98Å; Y252-Y389 HydrophobicContact CG-CD2 3.98Å; Y252-Y389 AromaticContact CG-CE2 3.88Å; Y252-Y389 HydrophobicContact CG-CE2 3.88Å
253	S	97.6	Very high	97.5	Very high	35 Å²	35	41 Å²	41	25%	0.245	22%	0.216	C	C	.	.	H	α-helix	trans	-56.3	-33.3	-172.2	61.6	0	0	0	0	113.8	N249 D255 G257	N249-S253 PolarHBondContact O-N 3.11Å; S253-D255 PolarHBondContact O-N 3.46Å; S253-G257 VanDerWaalsContact O-CA 3.28Å; S253-G257 WeakPolarHBondContact O-CA 3.4Å; S253-G257 PolarHBondContact O-N 3.21Å
254	A	98.3	Very high	97.6	Very high	44 Å²	44	40.8 Å²	40.8	36%	0.364	22%	0.215	S	C	.	.	H	α-helix	trans	-59	-33.2	175.2	0	0	0	0	0	112.9	K229 G231 Y252	K229-A254 CarbonylContact C-O 3.6Å; K229-A254 WeakPolarHBondContact CA-O 3.41Å; K229-A254 HydrophobicContact CD-CB 4.28Å; G231-A254 PolarHBondContact N-O 2.84Å; Y252-A254 PolarHBondContact O-N 3.24Å; Y252-A254 VanDerWaalsContact O-N 3.13Å
255	D	98.6	Very high	97.7	Very high	14 Å²	14	39.3 Å²	39.3	8%	0.075	21%	0.207	C	C	.	.	H	α-helix	trans	-95.9	-34.7	-178.2	-67.6	-30.5	0	0	0	112.5	I225 N227 S228 K229 G231 Y252 S253	I225-D255 WeakPolarHBondContact O-CB 3.46Å; N227-D255 VanDerWaalsContact C-OD1 3.31Å; N227-D255 VanDerWaalsContact CA-OD1 3.28Å; N227-D255 WeakPolarHBondContact CA-OD1 3.14Å; N227-D255 PolarHBondContact N-OD1 3.2Å; N227-D255 PolarHBondContact N-OD2 2.9Å; S228-D255 PolarHBondContact N-OD1 3.36Å; S228-D255 PolarHBondContact OG-O 3.42Å; K229-D255 PolarHBondContact N-OD1 3.1Å; G231-D255 PolarHBondContact N-O 3Å; Y252-D255 PolarHBondContact O-N 3.35Å; S253-D255 PolarHBondContact O-N 3.46Å
256	V	98.3	Very high	97.6	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.006	22%	0.215	C	C	.	.	H	α-helix	trans	-115.4	-6.2	-169	-45.3	0	0	0	0	114.5	I225 R242 I248 Y252 Y389	I225-V256 HydrophobicContact CD1-CB 4.35Å; I225-V256 HydrophobicContact CD1-CG1 3.89Å; I225-V256 HydrophobicContact CG1-CG1 4.26Å; I225-V256 HydrophobicContact CG2-CG1 3.91Å; R242-V256 VanDerWaalsContact CZ-O 3.27Å; R242-V256 PolarHBondContact NH1-O 2.8Å; R242-V256 PolarHBondContact NH2-O 3.48Å; I248-V256 HydrophobicContact CG2-CG2 4Å; Y252-V256 WeakPolarHBondContact O-CG2 3.19Å; Y252-V256 PolarHBondContact O-N 2.86Å; V256-Y389 HydrophobicContact CG1-CD1 4.33Å; V256-Y389 HydrophobicContact CG1-CD2 4.23Å; V256-Y389 HydrophobicContact CG1-CE1 4.17Å; V256-Y389 HydrophobicContact CG1-CE2 4.04Å; V256-Y389 HydrophobicContact CG1-CG 4.36Å; V256-Y389 HydrophobicContact CG2-CE2 4.43Å
257	G	98.2	Very high	97.5	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.215	C	C	.	.			trans	71	175.7	-176.5	0	0	0	0	0	113	D235 R242 S253	D235-G257 VanDerWaalsContact OD1-CA 3.3Å; D235-G257 WeakPolarHBondContact OD1-CA 3.36Å; D235-G257 WeakPolarHBondContact OD2-CA 3.41Å; R242-G257 PolarHBondContact NH2-O 2.9Å; S253-G257 VanDerWaalsContact O-CA 3.28Å; S253-G257 WeakPolarHBondContact O-CA 3.4Å; S253-G257 PolarHBondContact O-N 3.21Å
258	T	97.9	Very high	97.4	Very high	77 Å²	77	40.5 Å²	40.5	47%	0.472	21%	0.214	S	C	.	.	S	Bend	trans	-114.8	-23.8	174.8	58.7	0	0	0	0	113.3	D235 T260	D235-T258 PolarHBondContact OD1-N 2.88Å; D235-T258 PolarHBondContact OD2-N 3.26Å; D235-T258 VanDerWaalsContact OD2-N 3.08Å; T258-T260 PolarHBondContact O-N 2.81Å; T258-T260 PolarHBondContact O-OG1 3.09Å
259	K	98.3	Very high	97.4	Very high	65 Å²	65	41.2 Å²	41.2	28%	0.283	22%	0.217	S	C	.	.			trans	-58.7	133.5	-179.8	-175.7	174.9	174.7	177.6	0	110	D235 A237 D238 V240 R242 D261	D235-K259 HydrophobicContact CB-CB 4.08Å; D235-K259 WeakPolarHBondContact O-CD 3.49Å; D235-K259 WeakPolarHBondContact OD1-CB 3.3Å; D235-K259 PolarHBondContact OD1-N 3.41Å; A237-K259 PolarHBondContact O-NZ 3.34Å; D238-K259 PolarHBondContact O-NZ 3.01Å; V240-K259 HydrophobicContact CB-CG 4.32Å; V240-K259 WeakPolarHBondContact CG1-O 3.47Å; V240-K259 HydrophobicContact CG2-CB 4.12Å; V240-K259 HydrophobicContact CG2-CD 3.83Å; V240-K259 HydrophobicContact CG2-CG 3.79Å; R242-K259 PolarHBondContact NE-O 3.35Å; R242-K259 PolarHBondContact NH2-O 3.25Å; K259-D261 WeakPolarHBondContact CE-OD2 3.5Å
260	T	98.6	Very high	97.5	Very high	16 Å²	16	37.2 Å²	37.2	10%	0.098	20%	0.196	C	C	.	.			trans	-148.9	122.2	177.4	-51.9	0	0	0	0	108.4	R242 T258 V263 Y291 S294	R242-T260 HydrophobicContact CB-CG2 4.28Å; R242-T260 WeakPolarHBondContact CD-OG1 3.37Å; R242-T260 HydrophobicContact CG-CG2 4.03Å; R242-T260 PolarHBondContact NE-OG1 2.53Å; T258-T260 PolarHBondContact O-N 2.81Å; T258-T260 PolarHBondContact O-OG1 3.09Å; T260-V263 HydrophobicContact CG2-CB 3.97Å; T260-Y291 HydrophobicContact CG2-CD1 3.91Å; T260-S294 WeakPolarHBondContact O-CB 3.34Å
261	D	98.3	Very high	97.6	Very high	47 Å²	47	30.2 Å²	30.2	25%	0.251	17%	0.166	S	C	.	.	S	Bend	trans	-103.5	-33.7	175.2	-58.5	-78.3	0	0	0	110.5	F239 V240 K259 S295	F239-D261 WeakPolarHBondContact CA-OD2 2.97Å; F239-D261 HydrophobicContact CD1-CB 3.96Å; F239-D261 HydrophobicContact CD2-CB 3.63Å; F239-D261 HydrophobicContact CE1-CB 3.82Å; F239-D261 HydrophobicContact CE2-CB 3.5Å; F239-D261 HydrophobicContact CG-CB 3.89Å; F239-D261 HydrophobicContact CZ-CB 3.61Å; V240-D261 PolarHBondContact N-OD2 3.07Å; V240-D261 PolarHBondContact O-N 3.2Å; K259-D261 WeakPolarHBondContact CE-OD2 3.5Å; D261-S295 PolarHBondContact O-N 2.89Å
262	L	98.5	Very high	97.5	Very high	2 Å²	2	29.8 Å²	29.8	1%	0.01	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	130.5	177.3	-170.2	151	0	0	0	111.3	F170 F208 F239 V240 F241 R242 T264 S295 V297 L357	F170-L262 HydrophobicContact CZ-CD1 3.93Å; F208-L262 HydrophobicContact CE2-CD1 3.96Å; F239-L262 HydrophobicContact CE1-CB 3.64Å; F239-L262 HydrophobicContact CZ-CB 3.79Å; F239-L262 HydrophobicContact CZ-CD1 4.38Å; V240-L262 PolarHBondContact O-N 3.25Å; V240-L262 VanDerWaalsContact O-N 3.12Å; F241-L262 CarbonylContact C-O 3.46Å; F241-L262 WeakPolarHBondContact CA-O 3.37Å; F241-L262 HydrophobicContact CD1-CB 4.13Å; F241-L262 HydrophobicContact CD1-CD1 4.37Å; F241-L262 HydrophobicContact CD1-CD2 4Å; F241-L262 HydrophobicContact CD1-CG 4.4Å; F241-L262 HydrophobicContact CE1-CB 4.49Å; F241-L262 HydrophobicContact CE1-CD1 4.17Å; R242-L262 PolarHBondContact N-O 3.15Å; L262-T264 HydrophobicContact CD2-CG2 4.45Å; L262-S295 CarbonylContact C-O 3.54Å; L262-S295 WeakPolarHBondContact CA-O 3.15Å; L262-V297 HydrophobicContact CD1-CG2 3.7Å; L262-V297 HydrophobicContact CD2-CB 4.28Å; L262-V297 HydrophobicContact CD2-CG2 3.63Å; L262-V297 HydrophobicContact CG-CG2 3.61Å; L262-L357 HydrophobicContact CD2-CD2 3.85Å
263	V	98.6	Very high	97.4	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	132.2	174.4	64.3	0	0	0	0	111.8	R242 V245 T260 Y291 S295 V296 V297	R242-V263 HydrophobicContact CB-CB 4.26Å; R242-V263 HydrophobicContact CB-CG2 3.96Å; R242-V263 VanDerWaalsContact O-CA 3.31Å; R242-V263 WeakPolarHBondContact O-CA 3.2Å; V245-V263 HydrophobicContact CB-CG2 4.41Å; V245-V263 HydrophobicContact CG1-CG1 4.25Å; V245-V263 HydrophobicContact CG1-CG2 3.75Å; T260-V263 HydrophobicContact CG2-CB 3.97Å; V263-Y291 HydrophobicContact CG1-CG 4.44Å; V263-Y291 HydrophobicContact CG2-CE1 4.41Å; V263-S295 PolarHBondContact N-O 3.01Å; V263-V296 HydrophobicContact CG1-CG1 4Å; V263-V296 CarbonylContact O-C 3.56Å; V263-V296 WeakPolarHBondContact O-CA 3.32Å; V263-V297 PolarHBondContact O-N 2.71Å
264	T	98.7	Very high	97.3	Very high	2 Å²	2	35.4 Å²	35.4	1%	0.012	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	154.2	173.9	66.6	0	0	0	0	111.3	R242 C243 N244 V245 L262 V297 F329 L357	R242-T264 PolarHBondContact O-N 3.07Å; C243-T264 WeakPolarHBondContact CA-OG1 3.14Å; N244-T264 CarbonylContact C-O 3.23Å; N244-T264 WeakPolarHBondContact CA-O 3.37Å; N244-T264 PolarHBondContact N-O 3.29Å; N244-T264 PolarHBondContact N-OG1 3.31Å; N244-T264 PolarHBondContact OD1-OG1 3.24Å; V245-T264 PolarHBondContact N-O 3.28Å; V245-T264 VanDerWaalsContact N-O 3.14Å; L262-T264 HydrophobicContact CD2-CG2 4.45Å; T264-V297 CarbonylContact C-O 3.44Å; T264-V297 WeakPolarHBondContact CA-O 3.4Å; T264-V297 HydrophobicContact CG2-CB 4.37Å; T264-F329 HydrophobicContact CG2-CE2 4.15Å; T264-F329 HydrophobicContact CG2-CZ 4.16Å; T264-L357 HydrophobicContact CG2-CD1 3.7Å; T264-L357 HydrophobicContact CG2-CD2 3.66Å; T264-L357 HydrophobicContact CG2-CG 3.86Å
265	I	98.4	Very high	97.2	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.191	C	C	.	.			trans	-125.6	115.4	168.3	-58.5	158.1	0	0	0	107.6	V245 P267 I270 F284 L288 V296 V297 L298 P299 V313	V245-I265 HydrophobicContact CG1-CG1 3.7Å; I265-P267 WeakPolarHBondContact O-CD 3.31Å; I265-I270 HydrophobicContact CG2-CD1 3.82Å; I265-I270 HydrophobicContact CG2-CG1 3.85Å; I265-F284 HydrophobicContact CD1-CE1 4.29Å; I265-F284 HydrophobicContact CD1-CZ 3.81Å; I265-F284 HydrophobicContact CG1-CZ 4.29Å; I265-F284 HydrophobicContact CG2-CZ 4.24Å; I265-L288 HydrophobicContact CD1-CD2 4.29Å; I265-V296 HydrophobicContact CD1-CB 3.82Å; I265-V296 HydrophobicContact CD1-CG1 4.05Å; I265-V296 HydrophobicContact CD1-CG2 4.4Å; I265-V297 PolarHBondContact N-O 3.29Å; I265-L298 HydrophobicContact CB-CD2 3.73Å; I265-L298 HydrophobicContact CB-CG 3.96Å; I265-L298 HydrophobicContact CD1-CD1 4.35Å; I265-L298 HydrophobicContact CD1-CD2 4.2Å; I265-L298 HydrophobicContact CD1-CG 4.31Å; I265-L298 HydrophobicContact CG2-CD2 3.87Å; I265-P299 WeakPolarHBondContact O-CD 3.41Å; I265-V313 HydrophobicContact CD1-CG1 4.18Å
266	N	96	Very high	97.1	Very high	44 Å²	44	41.8 Å²	41.8	24%	0.235	20%	0.203	C	C	.	.			trans	-71.3	124.2	166.4	-175.7	-21.7	0	0	0	108.8	N244 S268 I269	N244-N266 PolarHBondContact OD1-N 2.81Å; N266-S268 PolarHBondContact O-N 3.39Å; N266-S268 PolarHBondContact OD1-N 3.41Å; N266-S268 PolarHBondContact OD1-OG 3.25Å; N266-I269 HydrophobicContact CB-CD1 4.26Å; N266-I269 HydrophobicContact CB-CG1 4.38Å; N266-I269 WeakPolarHBondContact O-CB 3.38Å; N266-I269 PolarHBondContact O-N 3.5Å
267	P	96.4	Very high	97.1	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-57	-19.7	179.9	-28.6	38.1	0	0	0	114.8	I265 I269 I270 T271 P299 N306 V309	I265-P267 WeakPolarHBondContact O-CD 3.31Å; P267-I269 VanDerWaalsContact C-N 3.29Å; P267-I269 PolarHBondContact O-N 3.09Å; P267-I270 PolarHBondContact O-N 3.41Å; P267-T271 PolarHBondContact O-N 3.33Å; P267-T271 PolarHBondContact O-OG1 3.38Å; P267-P299 HydrophobicContact CG-CG 4.35Å; P267-N306 HydrophobicContact CB-CB 4.39Å; P267-N306 HydrophobicContact CG-CB 4.15Å; P267-V309 HydrophobicContact CB-CB 4.35Å; P267-V309 HydrophobicContact CB-CG1 4.03Å
268	S	94.6	Very high	96.9	Very high	39 Å²	39	47 Å²	47	27%	0.273	23%	0.227	S	C	.	.	H	α-helix	trans	-63.3	-33.6	172.6	71.8	0	0	0	0	112.4	N266 I270 T271 E272	N266-S268 PolarHBondContact O-N 3.39Å; N266-S268 PolarHBondContact OD1-N 3.41Å; N266-S268 PolarHBondContact OD1-OG 3.25Å; S268-I270 VanDerWaalsContact C-N 3.29Å; S268-I270 PolarHBondContact O-N 3.43Å; S268-T271 PolarHBondContact O-N 3.09Å; S268-E272 VanDerWaalsContact O-CB 3.25Å; S268-E272 WeakPolarHBondContact O-CB 3.43Å; S268-E272 VanDerWaalsContact O-CG 3.28Å; S268-E272 WeakPolarHBondContact O-CG 3.43Å; S268-E272 PolarHBondContact O-N 2.85Å
269	I	95.6	Very high	96.7	Very high	24 Å²	24	51.3 Å²	51.3	12%	0.123	24%	0.239	C	C	.	.	H	α-helix	trans	-58.2	-46.8	176.2	-65.9	172.1	0	0	0	109.8	N244 V245 N266 P267 R273 F274	N244-I269 HydrophobicContact CB-CD1 3.91Å; N244-I269 WeakPolarHBondContact O-CD1 3.33Å; V245-I269 HydrophobicContact CG2-CD1 3.88Å; V245-I269 HydrophobicContact CG2-CG2 4.3Å; N266-I269 HydrophobicContact CB-CD1 4.26Å; N266-I269 HydrophobicContact CB-CG1 4.38Å; N266-I269 WeakPolarHBondContact O-CB 3.38Å; N266-I269 PolarHBondContact O-N 3.5Å; P267-I269 VanDerWaalsContact C-N 3.29Å; P267-I269 PolarHBondContact O-N 3.09Å; I269-R273 VanDerWaalsContact O-CB 3.28Å; I269-R273 WeakPolarHBondContact O-CB 3.33Å; I269-R273 PolarHBondContact O-N 2.78Å; I269-F274 HydrophobicContact CG2-CD2 4.36Å; I269-F274 HydrophobicContact CG2-CE2 4.01Å
270	I	98	Very high	96.5	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-67.4	-42.4	-179.7	-50	-53.9	0	0	0	111	I265 P267 S268 F274 Q275 K276 L277 F284 V309 V313	I265-I270 HydrophobicContact CG2-CD1 3.82Å; I265-I270 HydrophobicContact CG2-CG1 3.85Å; P267-I270 PolarHBondContact O-N 3.41Å; S268-I270 VanDerWaalsContact C-N 3.29Å; S268-I270 PolarHBondContact O-N 3.43Å; I270-F274 HydrophobicContact CD1-CD2 4.3Å; I270-F274 CarbonylContact O-C 3.59Å; I270-F274 VanDerWaalsContact O-C 3.23Å; I270-F274 WeakPolarHBondContact O-CA 3.4Å; I270-F274 PolarHBondContact O-N 2.92Å; I270-F274 VanDerWaalsContact O-N 3.13Å; I270-Q275 PolarHBondContact O-N 3.42Å; I270-K276 PolarHBondContact O-N 3.01Å; I270-L277 HydrophobicContact CG2-CB 4.48Å; I270-L277 HydrophobicContact CG2-CD1 3.68Å; I270-L277 HydrophobicContact CG2-CD2 4.43Å; I270-L277 HydrophobicContact CG2-CG 3.53Å; I270-F284 HydrophobicContact CD1-CD1 3.69Å; I270-F284 HydrophobicContact CD1-CD2 3.77Å; I270-F284 HydrophobicContact CD1-CE1 3.37Å; I270-F284 HydrophobicContact CD1-CE2 3.44Å; I270-F284 VanDerWaalsContact CD1-CE2 3.44Å; I270-F284 HydrophobicContact CD1-CG 3.92Å; I270-F284 HydrophobicContact CD1-CZ 3.26Å; I270-V309 HydrophobicContact CB-CG1 3.55Å; I270-V309 HydrophobicContact CG1-CG1 4.17Å; I270-V309 HydrophobicContact CG2-CG1 3.64Å; I270-V313 HydrophobicContact CD1-CG2 4.15Å; I270-V313 HydrophobicContact CG1-CG2 3.93Å; I270-V313 HydrophobicContact CG2-CG2 4.4Å
271	T	96.1	Very high	96.4	Very high	39 Å²	39	60.4 Å²	60.4	24%	0.239	27%	0.27	C	S	.	.	H	α-helix	trans	-64	-47.4	179.7	-59.2	0	0	0	0	111.9	P267 S268 K276	P267-T271 PolarHBondContact O-N 3.33Å; P267-T271 PolarHBondContact O-OG1 3.38Å; S268-T271 PolarHBondContact O-N 3.09Å; T271-K276 HydrophobicContact CG2-CG 3.97Å
272	E	94.4	Very high	96.4	Very high	146 Å²	146	65.1 Å²	65.1	68%	0.682	29%	0.285	S	S	*	.	H	α-helix	trans	-85.4	-35.8	-169.9	-66.9	168	-169.9	0	0	112.5	S268	S268-E272 VanDerWaalsContact O-CB 3.25Å; S268-E272 WeakPolarHBondContact O-CB 3.43Å; S268-E272 VanDerWaalsContact O-CG 3.28Å; S268-E272 WeakPolarHBondContact O-CG 3.43Å; S268-E272 PolarHBondContact O-N 2.85Å
273	R	95.6	Very high	96.3	Very high	162 Å²	162	67.9 Å²	67.9	61%	0.611	30%	0.303	S	S	*	.	H	α-helix	trans	-104.7	-23	-173.4	-59.8	178	59.2	-169.4	-3.3	114.3	I269	I269-R273 VanDerWaalsContact O-CB 3.28Å; I269-R273 WeakPolarHBondContact O-CB 3.33Å; I269-R273 PolarHBondContact O-N 2.78Å
274	F	97.2	Very high	96.3	Very high	21 Å²	21	67.9 Å²	67.9	9%	0.092	30%	0.303	C	S	.	.	S	Bend	trans	-128	24.6	-172.2	-56.9	-77.2	0	0	0	112.9	I269 I270 K276 L277 P283 F284 V287	I269-F274 HydrophobicContact CG2-CD2 4.36Å; I269-F274 HydrophobicContact CG2-CE2 4.01Å; I270-F274 HydrophobicContact CD1-CD2 4.3Å; I270-F274 CarbonylContact O-C 3.59Å; I270-F274 VanDerWaalsContact O-C 3.23Å; I270-F274 WeakPolarHBondContact O-CA 3.4Å; I270-F274 PolarHBondContact O-N 2.92Å; I270-F274 VanDerWaalsContact O-N 3.13Å; F274-K276 PolarHBondContact O-N 2.8Å; F274-L277 HydrophobicContact CB-CD2 4Å; F274-L277 PolarHBondContact O-N 3.1Å; F274-P283 HydrophobicContact CD1-CB 4.41Å; F274-P283 HydrophobicContact CE1-CB 4.36Å; F274-F284 HydrophobicContact CB-CB 4.38Å; F274-F284 HydrophobicContact CD1-CB 3.74Å; F274-F284 HydrophobicContact CD1-CD2 4.48Å; F274-F284 HydrophobicContact CD2-CB 4.28Å; F274-F284 AromaticContact CD2-CD2 3.74Å; F274-F284 HydrophobicContact CD2-CD2 3.74Å; F274-F284 HydrophobicContact CD2-CG 4.21Å; F274-F284 HydrophobicContact CE1-CB 4.04Å; F274-F284 HydrophobicContact CE1-CD2 4.3Å; F274-F284 AromaticContact CE2-CD2 3.54Å; F274-F284 HydrophobicContact CE2-CD2 3.54Å; F274-F284 HydrophobicContact CE2-CE2 4.23Å; F274-F284 HydrophobicContact CE2-CG 4.38Å; F274-F284 HydrophobicContact CG-CB 3.87Å; F274-F284 HydrophobicContact CG-CD2 4.22Å; F274-F284 HydrophobicContact CG-CG 4.28Å; F274-F284 HydrophobicContact CZ-CB 4.44Å; F274-F284 AromaticContact CZ-CD2 3.84Å; F274-F284 HydrophobicContact CZ-CD2 3.84Å; F274-V287 HydrophobicContact CE1-CG2 4.47Å; F274-V287 HydrophobicContact CZ-CG2 4.03Å
275	Q	95.8	Very high	96.2	Very high	117 Å²	117	69.9 Å²	69.9	55%	0.547	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	48.2	41.5	174.3	-57.8	77.3	32	0	0	112.7	I270 L277 E278	I270-Q275 PolarHBondContact O-N 3.42Å; Q275-L277 PolarHBondContact O-N 3.42Å; Q275-E278 PolarHBondContact O-N 3.47Å; Q275-E278 VanDerWaalsContact O-N 3.17Å
276	K	96.6	Very high	96.1	Very high	76 Å²	76	75 Å²	75	33%	0.33	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	57.5	15.7	-179.2	-49.5	167.7	-174.7	168.8	0	115	I270 T271 F274 E278 V309 R312	I270-K276 PolarHBondContact O-N 3.01Å; T271-K276 HydrophobicContact CG2-CG 3.97Å; F274-K276 PolarHBondContact O-N 2.8Å; K276-E278 HydrophobicContact CB-CG 4.11Å; K276-E278 VanDerWaalsContact CD-OE1 3.29Å; K276-E278 WeakPolarHBondContact CD-OE1 3.41Å; K276-E278 IonicContact NZ-OE1 2.78Å; K276-E278 PolarHBondContact O-N 2.84Å; K276-V309 HydrophobicContact CB-CG2 4.31Å; K276-V309 HydrophobicContact CG-CG2 4.46Å; K276-R312 WeakPolarHBondContact O-CD 3.34Å; K276-R312 PolarHBondContact O-NH1 3.46Å
277	L	97.1	Very high	96.2	Very high	0 Å²	0	74.8 Å²	74.8	0%	0	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	55.8	31.3	-172.5	-56.1	170.4	0	0	0	113.6	I270 F274 Q275 K279 F284 R312 V313 M316	I270-L277 HydrophobicContact CG2-CB 4.48Å; I270-L277 HydrophobicContact CG2-CD1 3.68Å; I270-L277 HydrophobicContact CG2-CD2 4.43Å; I270-L277 HydrophobicContact CG2-CG 3.53Å; F274-L277 HydrophobicContact CB-CD2 4Å; F274-L277 PolarHBondContact O-N 3.1Å; Q275-L277 PolarHBondContact O-N 3.42Å; L277-K279 VanDerWaalsContact C-N 3.3Å; L277-F284 HydrophobicContact CD1-CD1 3.98Å; L277-F284 HydrophobicContact CD2-CB 3.8Å; L277-F284 HydrophobicContact CD2-CD1 4.32Å; L277-F284 HydrophobicContact CD2-CG 4.39Å; L277-R312 HydrophobicContact CB-CB 4.21Å; L277-V313 HydrophobicContact CD1-CG2 3.74Å; L277-M316 HydrophobicContact CD1-SD 4.08Å; L277-M316 HydrophobicContact CD2-SD 4.22Å
278	E	95.3	Very high	96.2	Very high	109 Å²	109	74.8 Å²	74.8	51%	0.509	34%	0.335	S	S	.	.	S	Bend	trans	-77.6	-18.8	175.8	-72.7	172.7	-178.9	0	0	112.6	Q275 K276 R312	Q275-E278 PolarHBondContact O-N 3.47Å; Q275-E278 VanDerWaalsContact O-N 3.17Å; K276-E278 HydrophobicContact CB-CG 4.11Å; K276-E278 VanDerWaalsContact CD-OE1 3.29Å; K276-E278 WeakPolarHBondContact CD-OE1 3.41Å; K276-E278 IonicContact NZ-OE1 2.78Å; K276-E278 PolarHBondContact O-N 2.84Å; E278-R312 IonicContact OE1-CZ 2.59Å; E278-R312 IonicContact OE1-NH1 3.51Å; E278-R312 PolarHBondContact OE1-NH1 3.28Å; E278-R312 IonicContact OE1-NH2 3.43Å; E278-R312 PolarHBondContact OE1-NH2 2.01Å
279	K	92.7	Very high	96.2	Very high	168 Å²	168	76.9 Å²	76.9	73%	0.73	34%	0.34	S	S	*	.	S	Bend	trans	-126.2	-99.8	179	-61.9	-175.5	179.7	-176	0	110.7	L277 R281	L277-K279 VanDerWaalsContact C-N 3.3Å; K279-R281 PolarHBondContact O-N 3.28Å
280	W	94	Very high	96.2	Very high	200 Å²	200	80.4 Å²	80.4	76%	0.758	36%	0.359	S	S	*	.			trans	-74.8	118.4	-174.7	-51.6	107.6	0	0	0	111.3	P283	W280-P283 HydrophobicContact CB-CG 4.4Å
281	R	96.8	Very high	96.1	Very high	73 Å²	73	80.7 Å²	80.7	28%	0.275	36%	0.36	S	S	.	.			trans	-97	-34.5	-180	-61.5	-174	178.8	-170.4	1.8	113.4	K279 P283 F284 Y285 M316 D319 F320	K279-R281 PolarHBondContact O-N 3.28Å; R281-P283 VanDerWaalsContact C-CD 3.46Å; R281-F284 PolarHBondContact O-N 2.86Å; R281-Y285 PolarHBondContact O-N 3.04Å; R281-M316 HydrophobicContact CB-CB 4.41Å; R281-M316 HydrophobicContact CB-CG 3.85Å; R281-M316 HydrophobicContact CB-SD 4.17Å; R281-M316 HydrophobicContact CG-CG 4.48Å; R281-M316 VanDerWaalsContact O-SD 3.36Å; R281-D319 IonicContact CZ-OD2 2.88Å; R281-D319 IonicContact NE-OD2 3.39Å; R281-D319 IonicContact NH1-OD1 3.91Å; R281-D319 IonicContact NH1-OD2 3.17Å; R281-D319 PolarHBondContact NH1-OD2 3.38Å; R281-F320 HydrophobicContact CB-CE2 4.08Å
282	R	97.3	Very high	95.8	Very high	145 Å²	145	86.2 Å²	86.2	55%	0.547	38%	0.383	S	S	.	.	H	α-helix	trans	-51	-44.4	-176.8	-173.9	178.5	-62	-76.6	-1.8	114.5	F284 Y285 E286 F320	R282-F284 VanDerWaalsContact C-N 3.3Å; R282-F284 PolarHBondContact O-N 2.86Å; R282-Y285 WeakPolarHBondContact O-CB 3.44Å; R282-Y285 PolarHBondContact O-N 3.25Å; R282-Y285 VanDerWaalsContact O-N 3.11Å; R282-E286 WeakPolarHBondContact CD-OE1 2.98Å; R282-E286 HydrophobicContact CG-CG 4.25Å; R282-E286 WeakPolarHBondContact CG-OE1 3.49Å; R282-E286 WeakPolarHBondContact O-CG 3.31Å; R282-E286 PolarHBondContact O-N 2.75Å; R282-F320 HydrophobicContact CB-CZ 4.05Å
283	P	97.6	Very high	95.6	Very high	60 Å²	60	85.6 Å²	85.6	39%	0.39	38%	0.384	S	S	.	.	H	α-helix	trans	-61.3	-35.9	-177.3	-25.6	35.8	0	0	0	113.9	F274 W280 R281 V287	F274-P283 HydrophobicContact CD1-CB 4.41Å; F274-P283 HydrophobicContact CE1-CB 4.36Å; W280-P283 HydrophobicContact CB-CG 4.4Å; R281-P283 VanDerWaalsContact C-CD 3.46Å; P283-V287 PolarHBondContact O-N 2.83Å
284	F	97.8	Very high	95.7	Very high	0 Å²	0	78.1 Å²	78.1	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-76	-36.7	176.5	-177	-121.3	0	0	0	111.6	I265 I270 F274 L277 R281 R282 E286 V287 L288 V313 M316	I265-F284 HydrophobicContact CD1-CE1 4.29Å; I265-F284 HydrophobicContact CD1-CZ 3.81Å; I265-F284 HydrophobicContact CG1-CZ 4.29Å; I265-F284 HydrophobicContact CG2-CZ 4.24Å; I270-F284 HydrophobicContact CD1-CD1 3.69Å; I270-F284 HydrophobicContact CD1-CD2 3.77Å; I270-F284 HydrophobicContact CD1-CE1 3.37Å; I270-F284 HydrophobicContact CD1-CE2 3.44Å; I270-F284 VanDerWaalsContact CD1-CE2 3.44Å; I270-F284 HydrophobicContact CD1-CG 3.92Å; I270-F284 HydrophobicContact CD1-CZ 3.26Å; F274-F284 HydrophobicContact CB-CB 4.38Å; F274-F284 HydrophobicContact CD1-CB 3.74Å; F274-F284 HydrophobicContact CD1-CD2 4.48Å; F274-F284 HydrophobicContact CD2-CB 4.28Å; F274-F284 AromaticContact CD2-CD2 3.74Å; F274-F284 HydrophobicContact CD2-CD2 3.74Å; F274-F284 HydrophobicContact CD2-CG 4.21Å; F274-F284 HydrophobicContact CE1-CB 4.04Å; F274-F284 HydrophobicContact CE1-CD2 4.3Å; F274-F284 AromaticContact CE2-CD2 3.54Å; F274-F284 HydrophobicContact CE2-CD2 3.54Å; F274-F284 HydrophobicContact CE2-CE2 4.23Å; F274-F284 HydrophobicContact CE2-CG 4.38Å; F274-F284 HydrophobicContact CG-CB 3.87Å; F274-F284 HydrophobicContact CG-CD2 4.22Å; F274-F284 HydrophobicContact CG-CG 4.28Å; F274-F284 HydrophobicContact CZ-CB 4.44Å; F274-F284 AromaticContact CZ-CD2 3.84Å; F274-F284 HydrophobicContact CZ-CD2 3.84Å; L277-F284 HydrophobicContact CD1-CD1 3.98Å; L277-F284 HydrophobicContact CD2-CB 3.8Å; L277-F284 HydrophobicContact CD2-CD1 4.32Å; L277-F284 HydrophobicContact CD2-CG 4.39Å; R281-F284 PolarHBondContact O-N 2.86Å; R282-F284 VanDerWaalsContact C-N 3.3Å; R282-F284 PolarHBondContact O-N 2.86Å; F284-E286 VanDerWaalsContact C-N 3.29Å; F284-E286 PolarHBondContact O-N 3.45Å; F284-V287 HydrophobicContact CD2-CB 4.43Å; F284-V287 WeakPolarHBondContact O-CB 3.44Å; F284-V287 PolarHBondContact O-N 3.49Å; F284-L288 HydrophobicContact CD1-CD1 4.41Å; F284-L288 HydrophobicContact CE1-CD1 3.8Å; F284-L288 HydrophobicContact CE1-CG 4.19Å; F284-L288 HydrophobicContact CE2-CD2 4.38Å; F284-L288 HydrophobicContact CE2-CG 4.37Å; F284-L288 HydrophobicContact CZ-CD1 4.02Å; F284-L288 HydrophobicContact CZ-CD2 3.93Å; F284-L288 HydrophobicContact CZ-CG 3.96Å; F284-L288 PolarHBondContact O-N 2.74Å; F284-V313 HydrophobicContact CE1-CG1 4.03Å; F284-V313 HydrophobicContact CE1-CG2 4Å; F284-M316 HydrophobicContact CB-SD 4.15Å; F284-M316 HydrophobicContact CD1-CE 3.41Å; F284-M316 VanDerWaalsContact CD1-CE 3.41Å; F284-M316 HydrophobicContact CD1-SD 3.75Å; F284-M316 HydrophobicContact CE1-CE 3.84Å; F284-M316 HydrophobicContact CG-CE 4.39Å; F284-M316 HydrophobicContact CG-SD 4.43Å
285	Y	96.9	Very high	95.7	Very high	44 Å²	44	78.1 Å²	78.1	17%	0.173	36%	0.36	C	S	.	.	H	α-helix	trans	-59.2	-39.6	172.9	-179.7	-101.2	0	0	0	112.4	R281 R282 V287 L288 Q289 L317 F320	R281-Y285 PolarHBondContact O-N 3.04Å; R282-Y285 WeakPolarHBondContact O-CB 3.44Å; R282-Y285 PolarHBondContact O-N 3.25Å; R282-Y285 VanDerWaalsContact O-N 3.11Å; Y285-V287 PolarHBondContact O-N 3.06Å; Y285-L288 WeakPolarHBondContact O-CB 2.99Å; Y285-L288 PolarHBondContact O-N 3.4Å; Y285-L288 VanDerWaalsContact O-N 3.14Å; Y285-Q289 HydrophobicContact CE1-CG 4.39Å; Y285-Q289 WeakPolarHBondContact O-CG 3.27Å; Y285-Q289 PolarHBondContact O-N 3.32Å; Y285-Q289 PolarHBondContact O-NE2 2.87Å; Y285-L317 HydrophobicContact CD2-CD2 4.04Å; Y285-L317 HydrophobicContact CE2-CD2 4.17Å; Y285-F320 HydrophobicContact CD1-CD1 4.33Å; Y285-F320 HydrophobicContact CD1-CD2 4.16Å; Y285-F320 HydrophobicContact CD1-CE2 4.48Å; Y285-F320 HydrophobicContact CD1-CG 4.1Å; Y285-F320 HydrophobicContact CD2-CB 3.85Å; Y285-F320 AromaticContact CD2-CD2 3.63Å; Y285-F320 HydrophobicContact CD2-CD2 3.63Å; Y285-F320 HydrophobicContact CD2-CE2 4.44Å; Y285-F320 AromaticContact CD2-CG 3.91Å; Y285-F320 HydrophobicContact CD2-CG 3.91Å; Y285-F320 HydrophobicContact CE1-CB 4.18Å; Y285-F320 HydrophobicContact CE1-CD1 4.35Å; Y285-F320 HydrophobicContact CE1-CG 4.17Å; Y285-F320 HydrophobicContact CE2-CB 3.45Å; Y285-F320 VanDerWaalsContact CE2-CB 3.45Å; Y285-F320 HydrophobicContact CE2-CD2 4.17Å; Y285-F320 AromaticContact CE2-CG 3.97Å; Y285-F320 HydrophobicContact CE2-CG 3.97Å; Y285-F320 HydrophobicContact CG-CB 4.35Å; Y285-F320 AromaticContact CG-CD2 3.61Å; Y285-F320 HydrophobicContact CG-CD2 3.61Å; Y285-F320 HydrophobicContact CG-CE2 4.01Å; Y285-F320 AromaticContact CG-CG 3.95Å; Y285-F320 HydrophobicContact CG-CG 3.95Å
286	E	96.5	Very high	95.8	Very high	109 Å²	109	72.6 Å²	72.6	51%	0.509	33%	0.334	S	S	.	.	H	α-helix	trans	-62.5	-39	174.9	-74.8	169.4	-179.2	0	0	112.3	R282 F284 L288 Q289	R282-E286 WeakPolarHBondContact CD-OE1 2.98Å; R282-E286 HydrophobicContact CG-CG 4.25Å; R282-E286 WeakPolarHBondContact CG-OE1 3.49Å; R282-E286 WeakPolarHBondContact O-CG 3.31Å; R282-E286 PolarHBondContact O-N 2.75Å; F284-E286 VanDerWaalsContact C-N 3.29Å; F284-E286 PolarHBondContact O-N 3.45Å; E286-L288 VanDerWaalsContact C-N 3.25Å; E286-L288 PolarHBondContact O-N 3.31Å; E286-Q289 WeakPolarHBondContact O-CB 3.17Å; E286-Q289 PolarHBondContact O-N 2.99Å; E286-Q289 VanDerWaalsContact O-N 3.15Å
287	V	96.9	Very high	95.9	Very high	39 Å²	39	69 Å²	69	24%	0.236	32%	0.318	C	S	.	.	H	α-helix	trans	-59.2	-40.8	173	171	0	0	0	0	111.2	F274 P283 F284 Y285 Q289 N290	F274-V287 HydrophobicContact CE1-CG2 4.47Å; F274-V287 HydrophobicContact CZ-CG2 4.03Å; P283-V287 PolarHBondContact O-N 2.83Å; F284-V287 HydrophobicContact CD2-CB 4.43Å; F284-V287 WeakPolarHBondContact O-CB 3.44Å; F284-V287 PolarHBondContact O-N 3.49Å; Y285-V287 PolarHBondContact O-N 3.06Å; V287-Q289 PolarHBondContact O-N 2.94Å; V287-N290 PolarHBondContact O-N 3.02Å; V287-N290 PolarHBondContact O-ND2 2.98Å
288	L	97.1	Very high	96	Very high	0 Å²	0	69 Å²	69	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-69.9	-17.1	-179.9	-69.1	-175.5	0	0	0	113.8	V245 I265 F284 Y285 E286 N290 Y291 V296 M316 L317 R324	V245-L288 HydrophobicContact CG1-CD2 3.95Å; I265-L288 HydrophobicContact CD1-CD2 4.29Å; F284-L288 HydrophobicContact CD1-CD1 4.41Å; F284-L288 HydrophobicContact CE1-CD1 3.8Å; F284-L288 HydrophobicContact CE1-CG 4.19Å; F284-L288 HydrophobicContact CE2-CD2 4.38Å; F284-L288 HydrophobicContact CE2-CG 4.37Å; F284-L288 HydrophobicContact CZ-CD1 4.02Å; F284-L288 HydrophobicContact CZ-CD2 3.93Å; F284-L288 HydrophobicContact CZ-CG 3.96Å; F284-L288 PolarHBondContact O-N 2.74Å; Y285-L288 WeakPolarHBondContact O-CB 2.99Å; Y285-L288 PolarHBondContact O-N 3.4Å; Y285-L288 VanDerWaalsContact O-N 3.14Å; E286-L288 VanDerWaalsContact C-N 3.25Å; E286-L288 PolarHBondContact O-N 3.31Å; L288-N290 PolarHBondContact O-N 2.87Å; L288-Y291 PolarHBondContact O-N 3.39Å; L288-V296 HydrophobicContact CD2-CG1 4.08Å; L288-M316 HydrophobicContact CD1-CE 3.85Å; L288-L317 HydrophobicContact CD1-CD1 4.44Å; L288-L317 HydrophobicContact CD1-CD2 3.91Å; L288-L317 HydrophobicContact CD1-CG 4.5Å; L288-R324 PolarHBondContact O-NH1 3.38Å; L288-R324 PolarHBondContact O-NH2 2.88Å
289	Q	95.1	Very high	96.1	Very high	83 Å²	83	64.2 Å²	64.2	39%	0.388	30%	0.297	S	S	.	.	H	α-helix	trans	-68.7	-24.7	175.1	-57.2	-45.5	-60.8	0	0	112.6	Y285 E286 V287 Y291 E292	Y285-Q289 HydrophobicContact CE1-CG 4.39Å; Y285-Q289 WeakPolarHBondContact O-CG 3.27Å; Y285-Q289 PolarHBondContact O-N 3.32Å; Y285-Q289 PolarHBondContact O-NE2 2.87Å; E286-Q289 WeakPolarHBondContact O-CB 3.17Å; E286-Q289 PolarHBondContact O-N 2.99Å; E286-Q289 VanDerWaalsContact O-N 3.15Å; V287-Q289 PolarHBondContact O-N 2.94Å; Q289-Y291 PolarHBondContact O-N 2.85Å; Q289-Y291 VanDerWaalsContact O-N 3.13Å; Q289-E292 PolarHBondContact O-N 2.68Å
290	N	95.1	Very high	96.3	Very high	98 Å²	98	56.2 Å²	56.2	52%	0.524	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-16.3	175.6	-61.5	-61.8	0	0	0	113.1	I248 V287 L288	I248-N290 VanDerWaalsContact CD1-O 3.27Å; I248-N290 WeakPolarHBondContact CD1-O 3.25Å; I248-N290 HydrophobicContact CG1-CB 4.47Å; V287-N290 PolarHBondContact O-N 3.02Å; V287-N290 PolarHBondContact O-ND2 2.98Å; L288-N290 PolarHBondContact O-N 2.87Å
291	Y	96.4	Very high	96.5	Very high	6 Å²	6	46.8 Å²	46.8	2%	0.024	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.4	24.3	-179.9	-48.6	-88.7	0	0	0	112.3	V245 P246 I248 T260 V263 L288 Q289 N293 S294	V245-Y291 VanDerWaalsContact CA-OH 3.29Å; V245-Y291 WeakPolarHBondContact CA-OH 3.44Å; V245-Y291 HydrophobicContact CB-CE2 4.1Å; V245-Y291 HydrophobicContact CG1-CE2 4.12Å; V245-Y291 PolarHBondContact O-OH 3.35Å; P246-Y291 VanDerWaalsContact N-OH 3.09Å; P246-Y291 PolarHBondContact O-OH 3.06Å; I248-Y291 HydrophobicContact CD1-CD1 3.75Å; I248-Y291 HydrophobicContact CD1-CE1 3.84Å; I248-Y291 HydrophobicContact CG1-CD1 4.4Å; I248-Y291 HydrophobicContact CG1-CE1 4.02Å; I248-Y291 HydrophobicContact CG2-CE1 4.33Å; T260-Y291 HydrophobicContact CG2-CD1 3.91Å; V263-Y291 HydrophobicContact CG1-CG 4.44Å; V263-Y291 HydrophobicContact CG2-CE1 4.41Å; L288-Y291 PolarHBondContact O-N 3.39Å; Q289-Y291 PolarHBondContact O-N 2.85Å; Q289-Y291 VanDerWaalsContact O-N 3.13Å; Y291-N293 PolarHBondContact O-N 3.15Å; Y291-S294 WeakPolarHBondContact CB-OG 3.39Å; Y291-S294 WeakPolarHBondContact O-CB 3.2Å; Y291-S294 PolarHBondContact O-N 2.71Å; Y291-S294 PolarHBondContact O-OG 3.37Å
292	E	90.1	Very high	96.5	Very high	155 Å²	155	44.6 Å²	44.6	72%	0.724	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	44.6	-129.5	177	-58.9	-177.6	179.1	0	0	112.2	Q289 S294 R324	Q289-E292 PolarHBondContact O-N 2.68Å; E292-S294 VanDerWaalsContact C-N 3.31Å; E292-S294 PolarHBondContact O-N 2.91Å; E292-R324 PolarHBondContact O-NH1 3Å; E292-R324 PolarHBondContact O-NH2 3.47Å; E292-R324 VanDerWaalsContact O-NH2 3.09Å
293	N	90.4	Very high	96.4	Very high	132 Å²	132	39.4 Å²	39.4	71%	0.706	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.6	16.9	179.2	-69.2	-33.3	0	0	0	113.8	Y291	Y291-N293 PolarHBondContact O-N 3.15Å
294	S	96.7	Very high	96.3	Very high	6 Å²	6	40.1 Å²	40.1	4%	0.042	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-56.1	145.1	178	64.8	0	0	0	0	112.4	T260 Y291 E292	T260-S294 WeakPolarHBondContact O-CB 3.34Å; Y291-S294 WeakPolarHBondContact CB-OG 3.39Å; Y291-S294 WeakPolarHBondContact O-CB 3.2Å; Y291-S294 PolarHBondContact O-N 2.71Å; Y291-S294 PolarHBondContact O-OG 3.37Å; E292-S294 VanDerWaalsContact C-N 3.31Å; E292-S294 PolarHBondContact O-N 2.91Å
295	S	97.9	Very high	96.1	Very high	21 Å²	21	47.9 Å²	47.9	15%	0.147	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	138.3	174.7	-64.1	0	0	0	0	110.7	D261 L262 V263 G325 F327	D261-S295 PolarHBondContact O-N 2.89Å; L262-S295 CarbonylContact C-O 3.54Å; L262-S295 WeakPolarHBondContact CA-O 3.15Å; V263-S295 PolarHBondContact N-O 3.01Å; S295-G325 CarbonylContact C-O 3.58Å; S295-G325 WeakPolarHBondContact CA-O 3.17Å; S295-F327 WeakPolarHBondContact OG-CE2 3.26Å
296	V	98.1	Very high	96.1	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	138	175.5	-61.2	0	0	0	0	110.8	V263 I265 L288 L298 L317 G325 V326 F327	V263-V296 HydrophobicContact CG1-CG1 4Å; V263-V296 CarbonylContact O-C 3.56Å; V263-V296 WeakPolarHBondContact O-CA 3.32Å; I265-V296 HydrophobicContact CD1-CB 3.82Å; I265-V296 HydrophobicContact CD1-CG1 4.05Å; I265-V296 HydrophobicContact CD1-CG2 4.4Å; L288-V296 HydrophobicContact CD2-CG1 4.08Å; V296-L298 HydrophobicContact CG2-CD1 4.47Å; V296-L317 HydrophobicContact CG2-CD1 3.84Å; V296-G325 PolarHBondContact N-O 3.39Å; V296-V326 HydrophobicContact CG2-CB 4.17Å; V296-V326 HydrophobicContact CG2-CG1 4.07Å; V296-V326 HydrophobicContact CG2-CG2 3.79Å; V296-V326 WeakPolarHBondContact O-CA 3.29Å; V296-F327 PolarHBondContact O-N 3.07Å
297	V	98.5	Very high	96.2	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	129.4	-178.1	-173.3	0	0	0	0	111.5	F170 L262 V263 T264 I265 F327 F329	F170-V297 HydrophobicContact CD1-CG1 4.14Å; F170-V297 HydrophobicContact CE1-CB 4.41Å; F170-V297 HydrophobicContact CE1-CG1 3.58Å; F170-V297 HydrophobicContact CE1-CG2 3.87Å; F170-V297 HydrophobicContact CZ-CG1 4.48Å; F170-V297 HydrophobicContact CZ-CG2 3.97Å; L262-V297 HydrophobicContact CD1-CG2 3.7Å; L262-V297 HydrophobicContact CD2-CB 4.28Å; L262-V297 HydrophobicContact CD2-CG2 3.63Å; L262-V297 HydrophobicContact CG-CG2 3.61Å; V263-V297 PolarHBondContact O-N 2.71Å; T264-V297 CarbonylContact C-O 3.44Å; T264-V297 WeakPolarHBondContact CA-O 3.4Å; T264-V297 HydrophobicContact CG2-CB 4.37Å; I265-V297 PolarHBondContact N-O 3.29Å; V297-F327 VanDerWaalsContact CA-O 3.3Å; V297-F327 WeakPolarHBondContact CA-O 3.3Å; V297-F327 HydrophobicContact CG2-CB 4.19Å; V297-F327 HydrophobicContact CG2-CD2 4.23Å; V297-F329 HydrophobicContact CB-CE2 4.4Å; V297-F329 HydrophobicContact CG1-CD1 4.21Å; V297-F329 HydrophobicContact CG1-CD2 3.69Å; V297-F329 HydrophobicContact CG1-CE1 3.96Å; V297-F329 HydrophobicContact CG1-CE2 3.42Å; V297-F329 VanDerWaalsContact CG1-CE2 3.42Å; V297-F329 HydrophobicContact CG1-CG 4.08Å; V297-F329 HydrophobicContact CG1-CZ 3.56Å
298	L	98.4	Very high	96.2	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	139.4	179.9	-55.9	101.9	0	0	0	111.8	I265 V296 A300 V313 V326 F327 F328 F329	I265-L298 HydrophobicContact CB-CD2 3.73Å; I265-L298 HydrophobicContact CB-CG 3.96Å; I265-L298 HydrophobicContact CD1-CD1 4.35Å; I265-L298 HydrophobicContact CD1-CD2 4.2Å; I265-L298 HydrophobicContact CD1-CG 4.31Å; I265-L298 HydrophobicContact CG2-CD2 3.87Å; V296-L298 HydrophobicContact CG2-CD1 4.47Å; L298-A300 PolarHBondContact O-N 3.34Å; L298-V313 HydrophobicContact CD1-CG1 4.19Å; L298-V313 HydrophobicContact CD2-CB 4.18Å; L298-V313 HydrophobicContact CD2-CG1 4.3Å; L298-V313 HydrophobicContact CD2-CG2 4.01Å; L298-V326 HydrophobicContact CD1-CG1 4.19Å; L298-F327 PolarHBondContact N-O 3.48Å; L298-F328 HydrophobicContact CB-CD1 4.09Å; L298-F328 HydrophobicContact CB-CE1 4.36Å; L298-F328 HydrophobicContact CD1-CD1 4.43Å; L298-F328 HydrophobicContact CD1-CE1 4.08Å; L298-F328 VanDerWaalsContact O-CA 3.26Å; L298-F328 WeakPolarHBondContact O-CA 3.31Å; L298-F329 PolarHBondContact O-N 2.92Å; L298-F329 VanDerWaalsContact O-N 3.1Å
299	P	97.4	Very high	96.2	Very high	10 Å²	10	44.2 Å²	44.2	7%	0.065	22%	0.22	C	C	.	.			trans	-79.7	67.8	167.3	34.3	-34.9	0	0	0	110.5	I265 P267 F301 F329	I265-P299 WeakPolarHBondContact O-CD 3.41Å; P267-P299 HydrophobicContact CG-CG 4.35Å; P299-F301 VanDerWaalsContact C-N 3.3Å; P299-F301 PolarHBondContact O-N 3.46Å; P299-F329 HydrophobicContact CB-CD2 4.13Å
300	A	97.9	Very high	96.4	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-58.5	-44.2	-178.7	0	0	0	0	0	111.3	L298 Y302 N306 T307 S310 F328	L298-A300 PolarHBondContact O-N 3.34Å; A300-Y302 PolarHBondContact O-N 2.96Å; A300-Y302 VanDerWaalsContact O-N 3.12Å; A300-N306 CarbonylContact O-C 3.55Å; A300-N306 WeakPolarHBondContact O-CB 3.26Å; A300-T307 WeakPolarHBondContact O-CA 3.29Å; A300-T307 PolarHBondContact O-N 3.47Å; A300-T307 PolarHBondContact O-OG1 2.87Å; A300-S310 WeakPolarHBondContact CA-OG 3.34Å; A300-F328 HydrophobicContact CB-CB 4.06Å; A300-F328 HydrophobicContact CB-CD1 3.5Å; A300-F328 HydrophobicContact CB-CE1 4.1Å; A300-F328 HydrophobicContact CB-CG 3.84Å
301	F	97.7	Very high	96.5	Very high	1 Å²	1	36.3 Å²	36.3	0%	0.004	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-89.3	31.1	-172.3	-49.1	-60.8	0	0	0	114.2	T171 L182 Y184 E185 L192 F202 P299 T307 F311 F328 P331	T171-F301 HydrophobicContact CG2-CD2 3.72Å; T171-F301 HydrophobicContact CG2-CE2 3.46Å; T171-F301 VanDerWaalsContact CG2-CE2 3.46Å; L182-F301 HydrophobicContact CD2-CB 4.17Å; L182-F301 HydrophobicContact CD2-CD1 3.77Å; L182-F301 HydrophobicContact CD2-CD2 3.64Å; L182-F301 HydrophobicContact CD2-CE1 4.04Å; L182-F301 HydrophobicContact CD2-CE2 3.91Å; L182-F301 HydrophobicContact CD2-CG 3.55Å; L182-F301 HydrophobicContact CD2-CZ 4.11Å; Y184-F301 WeakPolarHBondContact CA-O 3.42Å; Y184-F301 HydrophobicContact CD1-CB 4.32Å; Y184-F301 VanDerWaalsContact CD1-O 3.32Å; Y184-F301 WeakPolarHBondContact CD1-O 3.36Å; Y184-F301 HydrophobicContact CE1-CB 4.45Å; Y184-F301 HydrophobicContact CE1-CD1 4.4Å; E185-F301 PolarHBondContact N-O 3.27Å; L192-F301 HydrophobicContact CD2-CD1 3.8Å; L192-F301 HydrophobicContact CD2-CE1 3.53Å; F202-F301 HydrophobicContact CE1-CE2 4.15Å; F202-F301 AromaticContact CE1-CZ 3.78Å; F202-F301 HydrophobicContact CE1-CZ 3.78Å; F202-F301 HydrophobicContact CZ-CE2 4.25Å; F202-F301 AromaticContact CZ-CZ 3.8Å; F202-F301 HydrophobicContact CZ-CZ 3.8Å; P299-F301 VanDerWaalsContact C-N 3.3Å; P299-F301 PolarHBondContact O-N 3.46Å; F301-T307 HydrophobicContact CE1-CG2 4.44Å; F301-F311 HydrophobicContact CE1-CE1 4.2Å; F301-F311 AromaticContact CE1-CZ 3.98Å; F301-F311 HydrophobicContact CE1-CZ 3.98Å; F301-F311 HydrophobicContact CZ-CE1 4.16Å; F301-F311 HydrophobicContact CZ-CZ 4.25Å; F301-F328 HydrophobicContact CD2-CB 4.21Å; F301-F328 HydrophobicContact CE2-CB 3.62Å; F301-F328 HydrophobicContact CE2-CD2 4.4Å; F301-F328 HydrophobicContact CE2-CG 4.24Å; F301-F328 HydrophobicContact CZ-CB 4.38Å; F301-F328 HydrophobicContact CZ-CD2 4.42Å; F301-P331 HydrophobicContact CB-CB 4.28Å; F301-P331 HydrophobicContact CB-CG 4.01Å
302	Y	95.8	Very high	96.6	Very high	28 Å²	28	39 Å²	39	11%	0.11	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-73.6	-48.6	168.9	-180	-113.2	0	0	0	111.7	E185 V186 A300 R350	E185-Y302 HydrophobicContact CB-CD2 3.89Å; E185-Y302 HydrophobicContact CG-CD2 4.41Å; E185-Y302 WeakPolarHBondContact OE1-CA 3.34Å; E185-Y302 WeakPolarHBondContact OE1-CB 3.42Å; V186-Y302 WeakPolarHBondContact CB-O 3.11Å; V186-Y302 HydrophobicContact CG2-CD1 4.36Å; V186-Y302 HydrophobicContact CG2-CD2 3.87Å; V186-Y302 HydrophobicContact CG2-CE1 3.93Å; V186-Y302 HydrophobicContact CG2-CE2 3.37Å; V186-Y302 HydrophobicContact CG2-CG 4.33Å; V186-Y302 WeakPolarHBondContact CG2-O 3.38Å; V186-Y302 PolarHBondContact N-O 2.87Å; A300-Y302 PolarHBondContact O-N 2.96Å; A300-Y302 VanDerWaalsContact O-N 3.12Å; Y302-R350 HydrophobicContact CE2-CG 4.36Å
303	N	95.7	Very high	97	Very high	35 Å²	35	31.6 Å²	31.6	19%	0.187	16%	0.155	C	C	.	.	S	Bend	trans	-157.2	172.5	175.2	64	41.6	0	0	0	109.8	Y184 S189 R305 N306 T307	Y184-N303 WeakPolarHBondContact CE1-O 3.44Å; S189-N303 VanDerWaalsContact OG-CB 3.28Å; S189-N303 WeakPolarHBondContact OG-CB 3.5Å; N303-R305 VanDerWaalsContact C-N 3.34Å; N303-R305 PolarHBondContact O-N 3.37Å; N303-R305 WeakPolarHBondContact OD1-CB 3.38Å; N303-R305 PolarHBondContact OD1-N 3.13Å; N303-R305 VanDerWaalsContact OD1-N 3.13Å; N303-N306 PolarHBondContact O-N 3.3Å; N303-N306 VanDerWaalsContact O-N 3.15Å; N303-N306 PolarHBondContact OD1-N 2.97Å; N303-N306 PolarHBondContact OD1-OD1 3.28Å; N303-T307 PolarHBondContact O-N 3.22Å; N303-T307 VanDerWaalsContact O-N 3.13Å; N303-T307 PolarHBondContact O-OG1 2.82Å
304	T	95.3	Very high	97.4	Very high	75 Å²	75	27 Å²	27	46%	0.46	13%	0.129	S	C	.	.	H	α-helix	trans	-57.5	-42.2	-177.6	52.3	0	0	0	0	113.5	Y184 N306 T307 D308	Y184-T304 HydrophobicContact CE2-CG2 4.05Å; T304-N306 VanDerWaalsContact C-N 3.31Å; T304-N306 PolarHBondContact O-N 3.07Å; T304-T307 VanDerWaalsContact O-CB 3.31Å; T304-T307 WeakPolarHBondContact O-CB 3.34Å; T304-T307 PolarHBondContact O-N 2.83Å; T304-T307 VanDerWaalsContact O-N 3.15Å; T304-D308 PolarHBondContact O-N 2.83Å; T304-D308 VanDerWaalsContact O-N 3.16Å
305	R	94.6	Very high	97.4	Very high	163 Å²	163	31 Å²	31	62%	0.615	14%	0.144	S	C	*	.	H	α-helix	trans	-61.7	-39.8	178.4	-174.5	-174.9	-59.6	-157.6	0	112.2	N303 T307 V309	N303-R305 VanDerWaalsContact C-N 3.34Å; N303-R305 PolarHBondContact O-N 3.37Å; N303-R305 WeakPolarHBondContact OD1-CB 3.38Å; N303-R305 PolarHBondContact OD1-N 3.13Å; N303-R305 VanDerWaalsContact OD1-N 3.13Å; R305-T307 VanDerWaalsContact C-N 3.33Å; R305-V309 WeakPolarHBondContact O-CG2 3.49Å; R305-V309 PolarHBondContact O-N 2.91Å
306	N	97.1	Very high	97.4	Very high	20 Å²	20	30 Å²	30	11%	0.107	14%	0.137	C	C	.	.	H	α-helix	trans	-68.5	-34.7	177.7	-79.4	24.3	0	0	0	111.4	P267 A300 N303 T304 S310	P267-N306 HydrophobicContact CB-CB 4.39Å; P267-N306 HydrophobicContact CG-CB 4.15Å; A300-N306 CarbonylContact O-C 3.55Å; A300-N306 WeakPolarHBondContact O-CB 3.26Å; N303-N306 PolarHBondContact O-N 3.3Å; N303-N306 VanDerWaalsContact O-N 3.15Å; N303-N306 PolarHBondContact OD1-N 2.97Å; N303-N306 PolarHBondContact OD1-OD1 3.28Å; T304-N306 VanDerWaalsContact C-N 3.31Å; T304-N306 PolarHBondContact O-N 3.07Å; N306-S310 WeakPolarHBondContact O-CB 3.47Å; N306-S310 PolarHBondContact O-N 2.89Å; N306-S310 PolarHBondContact O-OG 2.86Å
307	T	97.8	Very high	97.3	Very high	5 Å²	5	30.1 Å²	30.1	3%	0.031	14%	0.137	C	C	.	.	H	α-helix	trans	-58.3	-54.5	173.5	-59.7	0	0	0	0	110.5	Y184 L192 A300 F301 N303 T304 R305 V309 S310 F311	Y184-T307 WeakPolarHBondContact CE1-OG1 3.46Å; Y184-T307 PolarHBondContact OH-OG1 3.02Å; L192-T307 HydrophobicContact CD2-CG2 4.39Å; A300-T307 WeakPolarHBondContact O-CA 3.29Å; A300-T307 PolarHBondContact O-N 3.47Å; A300-T307 PolarHBondContact O-OG1 2.87Å; F301-T307 HydrophobicContact CE1-CG2 4.44Å; N303-T307 PolarHBondContact O-N 3.22Å; N303-T307 VanDerWaalsContact O-N 3.13Å; N303-T307 PolarHBondContact O-OG1 2.82Å; T304-T307 VanDerWaalsContact O-CB 3.31Å; T304-T307 WeakPolarHBondContact O-CB 3.34Å; T304-T307 PolarHBondContact O-N 2.83Å; T304-T307 VanDerWaalsContact O-N 3.15Å; R305-T307 VanDerWaalsContact C-N 3.33Å; T307-V309 VanDerWaalsContact C-N 3.31Å; T307-V309 PolarHBondContact O-N 3.21Å; T307-S310 PolarHBondContact O-N 2.73Å; T307-S310 VanDerWaalsContact O-N 3.15Å; T307-F311 HydrophobicContact CG2-CD1 4.41Å; T307-F311 HydrophobicContact CG2-CD2 3.72Å; T307-F311 HydrophobicContact CG2-CE1 4.06Å; T307-F311 HydrophobicContact CG2-CE2 3.31Å; T307-F311 HydrophobicContact CG2-CG 4.27Å; T307-F311 HydrophobicContact CG2-CZ 3.51Å; T307-F311 WeakPolarHBondContact O-CB 3.37Å; T307-F311 WeakPolarHBondContact O-CG 3.45Å; T307-F311 PolarHBondContact O-N 3.27Å
308	D	96.8	Very high	97.2	Very high	88 Å²	88	33.5 Å²	33.5	47%	0.471	16%	0.155	S	C	.	.	H	α-helix	trans	-56.5	-46.8	-177	-61.9	-29.1	0	0	0	111.6	T304 R312	T304-D308 PolarHBondContact O-N 2.83Å; T304-D308 VanDerWaalsContact O-N 3.16Å; D308-R312 WeakPolarHBondContact O-CG 3.19Å; D308-R312 PolarHBondContact O-N 2.98Å; D308-R312 VanDerWaalsContact O-N 3.13Å
309	V	97.9	Very high	97.1	Very high	3 Å²	3	38.3 Å²	38.3	2%	0.018	18%	0.181	C	C	.	.	H	α-helix	trans	-67.8	-40.5	-179.4	174.1	0	0	0	0	111.5	P267 I270 K276 R305 T307 R312 V313	P267-V309 HydrophobicContact CB-CB 4.35Å; P267-V309 HydrophobicContact CB-CG1 4.03Å; I270-V309 HydrophobicContact CB-CG1 3.55Å; I270-V309 HydrophobicContact CG1-CG1 4.17Å; I270-V309 HydrophobicContact CG2-CG1 3.64Å; K276-V309 HydrophobicContact CB-CG2 4.31Å; K276-V309 HydrophobicContact CG-CG2 4.46Å; R305-V309 WeakPolarHBondContact O-CG2 3.49Å; R305-V309 PolarHBondContact O-N 2.91Å; T307-V309 VanDerWaalsContact C-N 3.31Å; T307-V309 PolarHBondContact O-N 3.21Å; V309-R312 PolarHBondContact O-N 3.47Å; V309-V313 PolarHBondContact O-N 2.93Å
310	S	98.4	Very high	97.1	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-71	-36.8	-178.5	-55.3	0	0	0	0	111.9	A300 N306 T307 R312 V313 K314	A300-S310 WeakPolarHBondContact CA-OG 3.34Å; N306-S310 WeakPolarHBondContact O-CB 3.47Å; N306-S310 PolarHBondContact O-N 2.89Å; N306-S310 PolarHBondContact O-OG 2.86Å; T307-S310 PolarHBondContact O-N 2.73Å; T307-S310 VanDerWaalsContact O-N 3.15Å; S310-R312 VanDerWaalsContact C-N 3.33Å; S310-V313 WeakPolarHBondContact O-CB 3.47Å; S310-V313 PolarHBondContact O-N 3.21Å; S310-K314 PolarHBondContact O-N 3.35Å
311	F	98.1	Very high	97	Very high	14 Å²	14	46.6 Å²	46.6	6%	0.061	22%	0.222	C	C	.	.	H	α-helix	trans	-65.6	-36.9	173.4	-70.2	-5.6	0	0	0	111.6	I198 M201 F301 T307 V313 K314 Y315 F328	I198-F311 HydrophobicContact CD1-CE2 4.18Å; I198-F311 HydrophobicContact CD1-CZ 4.49Å; I198-F311 HydrophobicContact CG1-CE2 3.92Å; I198-F311 HydrophobicContact CG1-CZ 4.18Å; I198-F311 HydrophobicContact CG2-CZ 3.98Å; M201-F311 HydrophobicContact CE-CD1 3.74Å; M201-F311 HydrophobicContact CE-CD2 3.66Å; M201-F311 HydrophobicContact CE-CE1 3.69Å; M201-F311 HydrophobicContact CE-CE2 3.59Å; M201-F311 HydrophobicContact CE-CG 3.73Å; M201-F311 HydrophobicContact CE-CZ 3.6Å; M201-F311 HydrophobicContact SD-CB 4.43Å; M201-F311 HydrophobicContact SD-CD1 4.01Å; M201-F311 HydrophobicContact SD-CE1 4.38Å; M201-F311 HydrophobicContact SD-CG 4.11Å; F301-F311 HydrophobicContact CE1-CE1 4.2Å; F301-F311 AromaticContact CE1-CZ 3.98Å; F301-F311 HydrophobicContact CE1-CZ 3.98Å; F301-F311 HydrophobicContact CZ-CE1 4.16Å; F301-F311 HydrophobicContact CZ-CZ 4.25Å; T307-F311 HydrophobicContact CG2-CD1 4.41Å; T307-F311 HydrophobicContact CG2-CD2 3.72Å; T307-F311 HydrophobicContact CG2-CE1 4.06Å; T307-F311 HydrophobicContact CG2-CE2 3.31Å; T307-F311 HydrophobicContact CG2-CG 4.27Å; T307-F311 HydrophobicContact CG2-CZ 3.51Å; T307-F311 WeakPolarHBondContact O-CB 3.37Å; T307-F311 WeakPolarHBondContact O-CG 3.45Å; T307-F311 PolarHBondContact O-N 3.27Å; F311-V313 VanDerWaalsContact C-N 3.28Å; F311-V313 PolarHBondContact O-N 3.33Å; F311-K314 WeakPolarHBondContact O-CA 3.44Å; F311-K314 WeakPolarHBondContact O-CB 3.23Å; F311-K314 PolarHBondContact O-N 2.83Å; F311-Y315 HydrophobicContact CB-CE2 3.9Å; F311-Y315 VanDerWaalsContact O-CD2 3.26Å; F311-Y315 WeakPolarHBondContact O-CD2 3.13Å; F311-Y315 PolarHBondContact O-N 3.01Å; F311-F328 HydrophobicContact CD1-CE1 4.44Å; F311-F328 HydrophobicContact CD1-CE2 4.1Å; F311-F328 AromaticContact CD1-CZ 3.83Å; F311-F328 HydrophobicContact CD1-CZ 3.83Å; F311-F328 HydrophobicContact CE1-CD2 4.41Å; F311-F328 AromaticContact CE1-CE2 3.94Å; F311-F328 HydrophobicContact CE1-CE2 3.94Å; F311-F328 HydrophobicContact CE1-CZ 4.12Å
312	R	98.1	Very high	96.9	Very high	62 Å²	62	47.4 Å²	47.4	23%	0.234	23%	0.228	C	C	.	.	H	α-helix	trans	-63.2	-32	172.5	-70.3	171.4	-166.5	163.8	-1.6	113.4	K276 L277 E278 D308 V309 S310 M316	K276-R312 WeakPolarHBondContact O-CD 3.34Å; K276-R312 PolarHBondContact O-NH1 3.46Å; L277-R312 HydrophobicContact CB-CB 4.21Å; E278-R312 IonicContact OE1-CZ 2.59Å; E278-R312 IonicContact OE1-NH1 3.51Å; E278-R312 PolarHBondContact OE1-NH1 3.28Å; E278-R312 IonicContact OE1-NH2 3.43Å; E278-R312 PolarHBondContact OE1-NH2 2.01Å; D308-R312 WeakPolarHBondContact O-CG 3.19Å; D308-R312 PolarHBondContact O-N 2.98Å; D308-R312 VanDerWaalsContact O-N 3.13Å; V309-R312 PolarHBondContact O-N 3.47Å; S310-R312 VanDerWaalsContact C-N 3.33Å; R312-M316 VanDerWaalsContact O-CB 3.28Å; R312-M316 WeakPolarHBondContact O-CB 3.2Å; R312-M316 PolarHBondContact O-N 3.27Å
313	V	98.3	Very high	96.7	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-64.2	-42.9	170.9	173.2	0	0	0	0	110.6	I265 I270 L277 F284 L298 V309 S310 F311 M316 L317	I265-V313 HydrophobicContact CD1-CG1 4.18Å; I270-V313 HydrophobicContact CD1-CG2 4.15Å; I270-V313 HydrophobicContact CG1-CG2 3.93Å; I270-V313 HydrophobicContact CG2-CG2 4.4Å; L277-V313 HydrophobicContact CD1-CG2 3.74Å; F284-V313 HydrophobicContact CE1-CG1 4.03Å; F284-V313 HydrophobicContact CE1-CG2 4Å; L298-V313 HydrophobicContact CD1-CG1 4.19Å; L298-V313 HydrophobicContact CD2-CB 4.18Å; L298-V313 HydrophobicContact CD2-CG1 4.3Å; L298-V313 HydrophobicContact CD2-CG2 4.01Å; V309-V313 PolarHBondContact O-N 2.93Å; S310-V313 WeakPolarHBondContact O-CB 3.47Å; S310-V313 PolarHBondContact O-N 3.21Å; F311-V313 VanDerWaalsContact C-N 3.28Å; F311-V313 PolarHBondContact O-N 3.33Å; V313-M316 PolarHBondContact O-N 2.88Å; V313-L317 HydrophobicContact CG1-CD1 4.19Å; V313-L317 WeakPolarHBondContact O-CG 3.39Å; V313-L317 PolarHBondContact O-N 3.5Å; V313-L317 VanDerWaalsContact O-N 3.08Å
314	K	97.8	Very high	96.6	Very high	35 Å²	35	53.1 Å²	53.1	15%	0.152	25%	0.254	C	S	.	.	H	α-helix	trans	-61.2	-50.6	174.3	178.5	60.5	169.3	76.7	0	111.7	M201 S310 F311 M316 L317 D318 V326 F328	M201-K314 HydrophobicContact CG-CG 4.21Å; M201-K314 HydrophobicContact SD-CB 4.41Å; M201-K314 HydrophobicContact SD-CG 4.04Å; S310-K314 PolarHBondContact O-N 3.35Å; F311-K314 WeakPolarHBondContact O-CA 3.44Å; F311-K314 WeakPolarHBondContact O-CB 3.23Å; F311-K314 PolarHBondContact O-N 2.83Å; K314-M316 VanDerWaalsContact C-N 3.31Å; K314-M316 PolarHBondContact O-N 3.15Å; K314-L317 PolarHBondContact O-N 3.31Å; K314-D318 IonicContact NZ-OD1 3.71Å; K314-D318 PolarHBondContact NZ-OD1 3.22Å; K314-D318 IonicContact NZ-OD2 3.94Å; K314-D318 PolarHBondContact NZ-OD2 2.66Å; K314-D318 PolarHBondContact O-N 3.27Å; K314-V326 HydrophobicContact CB-CG1 4.28Å; K314-V326 HydrophobicContact CD-CB 3.77Å; K314-V326 HydrophobicContact CD-CG1 3.93Å; K314-V326 HydrophobicContact CD-CG2 3.82Å; K314-F328 HydrophobicContact CB-CZ 4.21Å
315	Y	97.4	Very high	96.6	Very high	92 Å²	92	50.6 Å²	50.6	36%	0.361	24%	0.243	S	C	.	.	H	α-helix	trans	-60.9	-39.9	179.1	-55.6	-32.8	0	0	0	112.3	M201 F311 L317 D318 D319	M201-Y315 HydrophobicContact SD-CD1 4.49Å; M201-Y315 HydrophobicContact SD-CE1 3.61Å; F311-Y315 HydrophobicContact CB-CE2 3.9Å; F311-Y315 VanDerWaalsContact O-CD2 3.26Å; F311-Y315 WeakPolarHBondContact O-CD2 3.13Å; F311-Y315 PolarHBondContact O-N 3.01Å; Y315-L317 VanDerWaalsContact C-N 3.32Å; Y315-L317 PolarHBondContact O-N 2.87Å; Y315-D318 PolarHBondContact O-N 2.89Å; Y315-D319 PolarHBondContact O-N 3.39Å
316	M	97.6	Very high	96.7	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-57.9	-47	172.9	170.9	-171.2	83.7	0	0	111.3	L277 R281 F284 L288 R312 V313 K314 D318 D319 F320	L277-M316 HydrophobicContact CD1-SD 4.08Å; L277-M316 HydrophobicContact CD2-SD 4.22Å; R281-M316 HydrophobicContact CB-CB 4.41Å; R281-M316 HydrophobicContact CB-CG 3.85Å; R281-M316 HydrophobicContact CB-SD 4.17Å; R281-M316 HydrophobicContact CG-CG 4.48Å; R281-M316 VanDerWaalsContact O-SD 3.36Å; F284-M316 HydrophobicContact CB-SD 4.15Å; F284-M316 HydrophobicContact CD1-CE 3.41Å; F284-M316 VanDerWaalsContact CD1-CE 3.41Å; F284-M316 HydrophobicContact CD1-SD 3.75Å; F284-M316 HydrophobicContact CE1-CE 3.84Å; F284-M316 HydrophobicContact CG-CE 4.39Å; F284-M316 HydrophobicContact CG-SD 4.43Å; L288-M316 HydrophobicContact CD1-CE 3.85Å; R312-M316 VanDerWaalsContact O-CB 3.28Å; R312-M316 WeakPolarHBondContact O-CB 3.2Å; R312-M316 PolarHBondContact O-N 3.27Å; V313-M316 PolarHBondContact O-N 2.88Å; K314-M316 VanDerWaalsContact C-N 3.31Å; K314-M316 PolarHBondContact O-N 3.15Å; M316-D318 VanDerWaalsContact C-N 3.26Å; M316-D318 PolarHBondContact O-N 3.49Å; M316-D319 PolarHBondContact O-N 2.83Å; M316-F320 HydrophobicContact CG-CD2 3.86Å; M316-F320 HydrophobicContact CG-CE2 3.9Å; M316-F320 WeakPolarHBondContact O-CD2 3.46Å; M316-F320 PolarHBondContact O-N 3.49Å
317	L	97.2	Very high	96.8	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.005	22%	0.216	C	C	.	.	H	α-helix	trans	-65.3	-34.7	-179	-72.7	169	0	0	0	111.6	Y285 L288 V296 V313 K314 Y315 F320 D321 S322 R324 V326	Y285-L317 HydrophobicContact CD2-CD2 4.04Å; Y285-L317 HydrophobicContact CE2-CD2 4.17Å; L288-L317 HydrophobicContact CD1-CD1 4.44Å; L288-L317 HydrophobicContact CD1-CD2 3.91Å; L288-L317 HydrophobicContact CD1-CG 4.5Å; V296-L317 HydrophobicContact CG2-CD1 3.84Å; V313-L317 HydrophobicContact CG1-CD1 4.19Å; V313-L317 WeakPolarHBondContact O-CG 3.39Å; V313-L317 PolarHBondContact O-N 3.5Å; V313-L317 VanDerWaalsContact O-N 3.08Å; K314-L317 PolarHBondContact O-N 3.31Å; Y315-L317 VanDerWaalsContact C-N 3.32Å; Y315-L317 PolarHBondContact O-N 2.87Å; L317-F320 CarbonylContact O-C 3.5Å; L317-F320 PolarHBondContact O-N 2.99Å; L317-D321 PolarHBondContact O-N 3.43Å; L317-S322 VanDerWaalsContact O-CB 3.29Å; L317-S322 WeakPolarHBondContact O-CB 3.28Å; L317-S322 PolarHBondContact O-N 3.44Å; L317-R324 HydrophobicContact CD1-CG 4.25Å; L317-R324 HydrophobicContact CD2-CG 4.36Å; L317-V326 HydrophobicContact CD1-CG2 3.4Å
318	D	95.9	Very high	96.8	Very high	71 Å²	71	43.1 Å²	43.1	38%	0.38	22%	0.215	S	C	.	.	H	α-helix	trans	-66.2	-44.1	173.4	-64.6	-20.4	0	0	0	112	K314 Y315 M316 F320 D321	K314-D318 IonicContact NZ-OD1 3.71Å; K314-D318 PolarHBondContact NZ-OD1 3.22Å; K314-D318 IonicContact NZ-OD2 3.94Å; K314-D318 PolarHBondContact NZ-OD2 2.66Å; K314-D318 PolarHBondContact O-N 3.27Å; Y315-D318 PolarHBondContact O-N 2.89Å; M316-D318 VanDerWaalsContact C-N 3.26Å; M316-D318 PolarHBondContact O-N 3.49Å; D318-F320 PolarHBondContact O-N 2.95Å; D318-F320 VanDerWaalsContact O-N 3.16Å; D318-D321 PolarHBondContact O-N 3.05Å
319	D	96.4	Very high	96.9	Very high	102 Å²	102	39.2 Å²	39.2	55%	0.545	19%	0.194	S	C	.	.	H	α-helix	trans	-61	-24.7	177.5	-67.5	-13.9	0	0	0	113.2	R281 Y315 M316	R281-D319 IonicContact CZ-OD2 2.88Å; R281-D319 IonicContact NE-OD2 3.39Å; R281-D319 IonicContact NH1-OD1 3.91Å; R281-D319 IonicContact NH1-OD2 3.17Å; R281-D319 PolarHBondContact NH1-OD2 3.38Å; Y315-D319 PolarHBondContact O-N 3.39Å; M316-D319 PolarHBondContact O-N 2.83Å
320	F	96.7	Very high	96.9	Very high	50 Å²	50	39.9 Å²	39.9	22%	0.219	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.6	16.6	177.3	-70.2	-66.5	0	0	0	112.6	R281 R282 Y285 M316 L317 D318 S322	R281-F320 HydrophobicContact CB-CE2 4.08Å; R282-F320 HydrophobicContact CB-CZ 4.05Å; Y285-F320 HydrophobicContact CD1-CD1 4.33Å; Y285-F320 HydrophobicContact CD1-CD2 4.16Å; Y285-F320 HydrophobicContact CD1-CE2 4.48Å; Y285-F320 HydrophobicContact CD1-CG 4.1Å; Y285-F320 HydrophobicContact CD2-CB 3.85Å; Y285-F320 AromaticContact CD2-CD2 3.63Å; Y285-F320 HydrophobicContact CD2-CD2 3.63Å; Y285-F320 HydrophobicContact CD2-CE2 4.44Å; Y285-F320 AromaticContact CD2-CG 3.91Å; Y285-F320 HydrophobicContact CD2-CG 3.91Å; Y285-F320 HydrophobicContact CE1-CB 4.18Å; Y285-F320 HydrophobicContact CE1-CD1 4.35Å; Y285-F320 HydrophobicContact CE1-CG 4.17Å; Y285-F320 HydrophobicContact CE2-CB 3.45Å; Y285-F320 VanDerWaalsContact CE2-CB 3.45Å; Y285-F320 HydrophobicContact CE2-CD2 4.17Å; Y285-F320 AromaticContact CE2-CG 3.97Å; Y285-F320 HydrophobicContact CE2-CG 3.97Å; Y285-F320 HydrophobicContact CG-CB 4.35Å; Y285-F320 AromaticContact CG-CD2 3.61Å; Y285-F320 HydrophobicContact CG-CD2 3.61Å; Y285-F320 HydrophobicContact CG-CE2 4.01Å; Y285-F320 AromaticContact CG-CG 3.95Å; Y285-F320 HydrophobicContact CG-CG 3.95Å; M316-F320 HydrophobicContact CG-CD2 3.86Å; M316-F320 HydrophobicContact CG-CE2 3.9Å; M316-F320 WeakPolarHBondContact O-CD2 3.46Å; M316-F320 PolarHBondContact O-N 3.49Å; L317-F320 CarbonylContact O-C 3.5Å; L317-F320 PolarHBondContact O-N 2.99Å; D318-F320 PolarHBondContact O-N 2.95Å; D318-F320 VanDerWaalsContact O-N 3.16Å; F320-S322 PolarHBondContact O-N 3.15Å
321	D	95.9	Very high	96.8	Very high	133 Å²	133	40 Å²	40	71%	0.711	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.7	30.8	178	-63.4	-58.2	0	0	0	114	L317 D318 Q323	L317-D321 PolarHBondContact O-N 3.43Å; D318-D321 PolarHBondContact O-N 3.05Å; D321-Q323 PolarHBondContact O-N 3.38Å; D321-Q323 PolarHBondContact O-NE2 3Å
322	S	95.5	Very high	96.7	Very high	18 Å²	18	43.2 Å²	43.2	13%	0.126	21%	0.213	C	C	.	.			trans	-72.1	122	-174.7	171.9	0	0	0	0	111	L317 F320 R324	L317-S322 VanDerWaalsContact O-CB 3.29Å; L317-S322 WeakPolarHBondContact O-CB 3.28Å; L317-S322 PolarHBondContact O-N 3.44Å; F320-S322 PolarHBondContact O-N 3.15Å; S322-R324 VanDerWaalsContact C-N 3.26Å; S322-R324 PolarHBondContact O-N 3.13Å; S322-R324 VanDerWaalsContact OG-CG 3.3Å; S322-R324 WeakPolarHBondContact OG-CG 3.48Å; S322-R324 PolarHBondContact OG-NE 2.93Å; S322-R324 VanDerWaalsContact OG-NE 3.14Å
323	Q	91.6	Very high	96.7	Very high	170 Å²	170	40.3 Å²	40.3	79%	0.794	20%	0.202	S	C	*	.			trans	-80.2	-2.6	179.7	-56.7	-55.7	-53.1	0	0	114.2	D321	D321-Q323 PolarHBondContact O-N 3.38Å; D321-Q323 PolarHBondContact O-NE2 3Å
324	R	94.5	Very high	96.6	Very high	14 Å²	14	40.6 Å²	40.6	5%	0.053	20%	0.203	C	C	.	.	S	Bend	trans	-64.4	146.6	-179.6	81.9	-175.5	61.8	-146.3	-0.9	112.2	L288 E292 L317 S322	L288-R324 PolarHBondContact O-NH1 3.38Å; L288-R324 PolarHBondContact O-NH2 2.88Å; E292-R324 PolarHBondContact O-NH1 3Å; E292-R324 PolarHBondContact O-NH2 3.47Å; E292-R324 VanDerWaalsContact O-NH2 3.09Å; L317-R324 HydrophobicContact CD1-CG 4.25Å; L317-R324 HydrophobicContact CD2-CG 4.36Å; S322-R324 VanDerWaalsContact C-N 3.26Å; S322-R324 PolarHBondContact O-N 3.13Å; S322-R324 VanDerWaalsContact OG-CG 3.3Å; S322-R324 WeakPolarHBondContact OG-CG 3.48Å; S322-R324 PolarHBondContact OG-NE 2.93Å; S322-R324 VanDerWaalsContact OG-NE 3.14Å
325	G	95	Very high	96.5	Very high	22 Å²	22	40.5 Å²	40.5	23%	0.227	20%	0.204	C	C	.	.			trans	-64.4	135.1	173.4	0	0	0	0	0	112.1	S295 V296	S295-G325 CarbonylContact C-O 3.58Å; S295-G325 WeakPolarHBondContact CA-O 3.17Å; V296-G325 PolarHBondContact N-O 3.39Å
326	V	97.4	Very high	96.5	Very high	13 Å²	13	37.1 Å²	37.1	8%	0.079	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	117.1	171.1	-175.8	0	0	0	0	108.2	V296 L298 K314 L317 F328	V296-V326 HydrophobicContact CG2-CB 4.17Å; V296-V326 HydrophobicContact CG2-CG1 4.07Å; V296-V326 HydrophobicContact CG2-CG2 3.79Å; V296-V326 WeakPolarHBondContact O-CA 3.29Å; L298-V326 HydrophobicContact CD1-CG1 4.19Å; K314-V326 HydrophobicContact CB-CG1 4.28Å; K314-V326 HydrophobicContact CD-CB 3.77Å; K314-V326 HydrophobicContact CD-CG1 3.93Å; K314-V326 HydrophobicContact CD-CG2 3.82Å; L317-V326 HydrophobicContact CD1-CG2 3.4Å; V326-F328 HydrophobicContact CG1-CE1 4.23Å; V326-F328 HydrophobicContact CG1-CZ 4.17Å
327	F	98.4	Very high	96.5	Very high	17 Å²	17	37.1 Å²	37.1	8%	0.075	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	148.2	-177.5	-50	-59.7	0	0	0	111.6	F170 P203 P207 S295 V296 V297 L298	F170-F327 HydrophobicContact CB-CB 4.2Å; F170-F327 HydrophobicContact CD1-CB 3.69Å; F170-F327 HydrophobicContact CD2-CB 3.78Å; F170-F327 HydrophobicContact CD2-CD1 4.18Å; F170-F327 HydrophobicContact CD2-CD2 4.14Å; F170-F327 AromaticContact CD2-CG 3.77Å; F170-F327 HydrophobicContact CD2-CG 3.77Å; F170-F327 HydrophobicContact CE1-CB 3.98Å; F170-F327 HydrophobicContact CE2-CB 4.05Å; F170-F327 AromaticContact CE2-CD2 3.78Å; F170-F327 HydrophobicContact CE2-CD2 3.78Å; F170-F327 HydrophobicContact CE2-CE2 4.4Å; F170-F327 AromaticContact CE2-CG 3.89Å; F170-F327 HydrophobicContact CE2-CG 3.89Å; F170-F327 HydrophobicContact CG-CB 3.61Å; F170-F327 HydrophobicContact CG-CG 4.13Å; F170-F327 HydrophobicContact CZ-CB 4.16Å; F170-F327 HydrophobicContact CZ-CD2 4.14Å; F170-F327 HydrophobicContact CZ-CG 4.36Å; P203-F327 HydrophobicContact CB-CD1 4.39Å; P203-F327 HydrophobicContact CB-CE1 4.04Å; P203-F327 HydrophobicContact CG-CD1 3.86Å; P203-F327 HydrophobicContact CG-CE1 3.99Å; P207-F327 HydrophobicContact CB-CZ 4.21Å; P207-F327 HydrophobicContact CG-CE1 4.07Å; P207-F327 HydrophobicContact CG-CE2 4.04Å; P207-F327 HydrophobicContact CG-CZ 3.68Å; S295-F327 WeakPolarHBondContact OG-CE2 3.26Å; V296-F327 PolarHBondContact O-N 3.07Å; V297-F327 VanDerWaalsContact CA-O 3.3Å; V297-F327 WeakPolarHBondContact CA-O 3.3Å; V297-F327 HydrophobicContact CG2-CB 4.19Å; V297-F327 HydrophobicContact CG2-CD2 4.23Å; L298-F327 PolarHBondContact N-O 3.48Å
328	F	98.5	Very high	96.5	Very high	1 Å²	1	40 Å²	40	0%	0.004	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	130.6	174.2	-53.9	-58.9	0	0	0	109.4	F170 T171 M201 F202 L298 A300 F301 F311 K314 V326 H330	F170-F328 CarbonylContact C-O 3.2Å; F170-F328 WeakPolarHBondContact CA-O 3.44Å; T171-F328 PolarHBondContact N-O 3.27Å; T171-F328 PolarHBondContact OG1-O 3.41Å; M201-F328 HydrophobicContact CB-CE2 4.34Å; F202-F328 HydrophobicContact CD1-CD2 4.14Å; F202-F328 AromaticContact CE1-CD2 3.95Å; F202-F328 HydrophobicContact CE1-CD2 3.95Å; F202-F328 HydrophobicContact CE1-CE2 4.5Å; L298-F328 HydrophobicContact CB-CD1 4.09Å; L298-F328 HydrophobicContact CB-CE1 4.36Å; L298-F328 HydrophobicContact CD1-CD1 4.43Å; L298-F328 HydrophobicContact CD1-CE1 4.08Å; L298-F328 VanDerWaalsContact O-CA 3.26Å; L298-F328 WeakPolarHBondContact O-CA 3.31Å; A300-F328 HydrophobicContact CB-CB 4.06Å; A300-F328 HydrophobicContact CB-CD1 3.5Å; A300-F328 HydrophobicContact CB-CE1 4.1Å; A300-F328 HydrophobicContact CB-CG 3.84Å; F301-F328 HydrophobicContact CD2-CB 4.21Å; F301-F328 HydrophobicContact CE2-CB 3.62Å; F301-F328 HydrophobicContact CE2-CD2 4.4Å; F301-F328 HydrophobicContact CE2-CG 4.24Å; F301-F328 HydrophobicContact CZ-CB 4.38Å; F301-F328 HydrophobicContact CZ-CD2 4.42Å; F311-F328 HydrophobicContact CD1-CE1 4.44Å; F311-F328 HydrophobicContact CD1-CE2 4.1Å; F311-F328 AromaticContact CD1-CZ 3.83Å; F311-F328 HydrophobicContact CD1-CZ 3.83Å; F311-F328 HydrophobicContact CE1-CD2 4.41Å; F311-F328 AromaticContact CE1-CE2 3.94Å; F311-F328 HydrophobicContact CE1-CE2 3.94Å; F311-F328 HydrophobicContact CE1-CZ 4.12Å; K314-F328 HydrophobicContact CB-CZ 4.21Å; V326-F328 HydrophobicContact CG1-CE1 4.23Å; V326-F328 HydrophobicContact CG1-CZ 4.17Å; F328-H330 PolarHBondContact O-N 3.23Å
329	F	98.5	Very high	96.5	Very high	6 Å²	6	44.1 Å²	44.1	3%	0.026	22%	0.217	C	C	.	.	B	Isolated β-bridge	trans	-59	136.4	176	-75.7	-68.3	0	0	0	110.7	L169 F170 T264 V297 L298 P299 L334 L357	L169-F329 HydrophobicContact CD1-CD1 3.97Å; L169-F329 HydrophobicContact CD1-CE1 3.76Å; L169-F329 HydrophobicContact CG-CD1 4.47Å; L169-F329 HydrophobicContact CG-CE1 4.36Å; L169-F329 WeakPolarHBondContact O-CA 3.35Å; L169-F329 WeakPolarHBondContact O-CD1 3.47Å; F170-F329 HydrophobicContact CD1-CD1 4.4Å; F170-F329 HydrophobicContact CE1-CD1 4.32Å; F170-F329 HydrophobicContact CE1-CE1 4.23Å; T264-F329 HydrophobicContact CG2-CE2 4.15Å; T264-F329 HydrophobicContact CG2-CZ 4.16Å; V297-F329 HydrophobicContact CB-CE2 4.4Å; V297-F329 HydrophobicContact CG1-CD1 4.21Å; V297-F329 HydrophobicContact CG1-CD2 3.69Å; V297-F329 HydrophobicContact CG1-CE1 3.96Å; V297-F329 HydrophobicContact CG1-CE2 3.42Å; V297-F329 VanDerWaalsContact CG1-CE2 3.42Å; V297-F329 HydrophobicContact CG1-CG 4.08Å; V297-F329 HydrophobicContact CG1-CZ 3.56Å; L298-F329 PolarHBondContact O-N 2.92Å; L298-F329 VanDerWaalsContact O-N 3.1Å; P299-F329 HydrophobicContact CB-CD2 4.13Å; F329-L334 HydrophobicContact CB-CD1 3.65Å; F329-L334 HydrophobicContact CB-CD2 4.43Å; F329-L334 HydrophobicContact CB-CG 4.05Å; F329-L334 HydrophobicContact CD1-CD2 4.19Å; F329-L334 HydrophobicContact CD2-CD1 4.43Å; F329-L334 HydrophobicContact CG-CD1 4.09Å; F329-L334 HydrophobicContact CG-CD2 4.27Å; F329-L334 HydrophobicContact CG-CG 4.42Å; F329-L357 HydrophobicContact CZ-CD2 4.1Å
330	H	98	Very high	96.6	Very high	16 Å²	16	40.7 Å²	40.7	7%	0.074	20%	0.198	C	C	.	.			trans	-73.3	126.9	172	-163.4	-72.6	0	0	0	109.7	F168 L169 T171 F328 Q332 Y333 L334	F168-H330 WeakPolarHBondContact O-CB 3.39Å; L169-H330 PolarHBondContact O-N 2.84Å; L169-H330 VanDerWaalsContact O-N 3.1Å; T171-H330 HydrophobicContact CG2-CB 4.17Å; F328-H330 PolarHBondContact O-N 3.23Å; H330-Q332 VanDerWaalsContact C-N 3.31Å; H330-Q332 VanDerWaalsContact CE1-CB 3.47Å; H330-Q332 WeakPolarHBondContact CE1-CB 3.23Å; H330-Q332 VanDerWaalsContact ND1-CB 3.31Å; H330-Q332 WeakPolarHBondContact ND1-CB 3.46Å; H330-Q332 PolarHBondContact ND1-N 3.38Å; H330-Q332 VanDerWaalsContact ND1-N 3.15Å; H330-Q332 PolarHBondContact O-N 3.45Å; H330-Y333 WeakPolarHBondContact O-CB 3.2Å; H330-Y333 PolarHBondContact O-N 3.18Å; H330-Y333 VanDerWaalsContact O-N 3.07Å; H330-L334 PolarHBondContact O-N 3.12Å
331	P	96.9	Very high	96.6	Very high	2 Å²	2	38.3 Å²	38.3	1%	0.013	19%	0.188	C	C	.	.	H	α-helix	trans	-61.5	-37.8	-176.2	22.5	-32.5	0	0	0	112.4	L182 R183 E185 F301 Y333 L334 L335	L182-P331 HydrophobicContact CD1-CG 3.63Å; L182-P331 HydrophobicContact CD2-CG 4.15Å; L182-P331 HydrophobicContact CG-CG 3.85Å; R183-P331 WeakPolarHBondContact O-CB 3.49Å; R183-P331 WeakPolarHBondContact O-CG 3.2Å; E185-P331 HydrophobicContact CG-CB 3.79Å; F301-P331 HydrophobicContact CB-CB 4.28Å; F301-P331 HydrophobicContact CB-CG 4.01Å; P331-Y333 VanDerWaalsContact C-N 3.31Å; P331-Y333 PolarHBondContact O-N 3.49Å; P331-L334 PolarHBondContact O-N 2.99Å; P331-L335 WeakPolarHBondContact O-CG 3.47Å; P331-L335 PolarHBondContact O-N 3.03Å
332	Q	95.6	Very high	96.7	Very high	83 Å²	83	33.8 Å²	33.8	39%	0.388	17%	0.168	S	C	.	.	H	α-helix	trans	-59.8	-38.1	175	-174.3	55	48.1	0	0	113.1	H330 L335 S336	H330-Q332 VanDerWaalsContact C-N 3.31Å; H330-Q332 VanDerWaalsContact CE1-CB 3.47Å; H330-Q332 WeakPolarHBondContact CE1-CB 3.23Å; H330-Q332 VanDerWaalsContact ND1-CB 3.31Å; H330-Q332 WeakPolarHBondContact ND1-CB 3.46Å; H330-Q332 PolarHBondContact ND1-N 3.38Å; H330-Q332 VanDerWaalsContact ND1-N 3.15Å; H330-Q332 PolarHBondContact O-N 3.45Å; Q332-L335 PolarHBondContact O-N 3.15Å; Q332-S336 PolarHBondContact NE2-OG 3.4Å; Q332-S336 WeakPolarHBondContact O-CB 3.44Å; Q332-S336 PolarHBondContact O-N 3.41Å; Q332-S336 PolarHBondContact O-OG 2.94Å
333	Y	97.6	Very high	96.6	Very high	1 Å²	1	38.8 Å²	38.8	0%	0.004	20%	0.198	C	C	.	.	H	α-helix	trans	-63.4	-49.6	176.6	176.1	-97.2	0	0	0	110.4	C163 A165 F168 L169 H330 P331 L335 S336 V337 E363	C163-Y333 HydrophobicContact CB-CD2 3.91Å; C163-Y333 HydrophobicContact CB-CE2 3.56Å; C163-Y333 WeakPolarHBondContact O-CD2 3.44Å; A165-Y333 HydrophobicContact CB-CE2 3.71Å; F168-Y333 HydrophobicContact CB-CD2 4.34Å; F168-Y333 WeakPolarHBondContact O-CB 3.41Å; L169-Y333 HydrophobicContact CD1-CD1 3.76Å; L169-Y333 HydrophobicContact CD1-CE1 3.26Å; L169-Y333 HydrophobicContact CD1-CE2 4.49Å; H330-Y333 WeakPolarHBondContact O-CB 3.2Å; H330-Y333 PolarHBondContact O-N 3.18Å; H330-Y333 VanDerWaalsContact O-N 3.07Å; P331-Y333 VanDerWaalsContact C-N 3.31Å; P331-Y333 PolarHBondContact O-N 3.49Å; Y333-L335 VanDerWaalsContact C-N 3.31Å; Y333-L335 PolarHBondContact O-N 2.73Å; Y333-S336 WeakPolarHBondContact O-CB 3.32Å; Y333-S336 PolarHBondContact O-N 3.3Å; Y333-S336 VanDerWaalsContact O-N 3.13Å; Y333-V337 HydrophobicContact CD1-CG2 4.03Å; Y333-V337 HydrophobicContact CD2-CG2 4.39Å; Y333-V337 HydrophobicContact CE1-CG2 3.61Å; Y333-V337 HydrophobicContact CE2-CG2 4Å; Y333-V337 HydrophobicContact CG-CG2 4.39Å; Y333-V337 VanDerWaalsContact O-CG2 3.29Å; Y333-V337 WeakPolarHBondContact O-CG2 3Å; Y333-V337 PolarHBondContact O-N 3.05Å; Y333-E363 WeakPolarHBondContact CE2-OE2 3.44Å; Y333-E363 PolarHBondContact OH-OE2 3.4Å
334	L	97.1	Very high	96.8	Very high	5 Å²	5	34.7 Å²	34.7	3%	0.026	18%	0.179	C	C	.	.	H	α-helix	trans	-62	-37	179.3	-64	-176.7	0	0	0	112.6	E185 F329 H330 P331 V337 Q338 M356	E185-L334 VanDerWaalsContact CD-CD1 3.47Å; E185-L334 HydrophobicContact CG-CB 4.44Å; E185-L334 HydrophobicContact CG-CD1 4.45Å; E185-L334 WeakPolarHBondContact OE1-CD1 3.3Å; F329-L334 HydrophobicContact CB-CD1 3.65Å; F329-L334 HydrophobicContact CB-CD2 4.43Å; F329-L334 HydrophobicContact CB-CG 4.05Å; F329-L334 HydrophobicContact CD1-CD2 4.19Å; F329-L334 HydrophobicContact CD2-CD1 4.43Å; F329-L334 HydrophobicContact CG-CD1 4.09Å; F329-L334 HydrophobicContact CG-CD2 4.27Å; F329-L334 HydrophobicContact CG-CG 4.42Å; H330-L334 PolarHBondContact O-N 3.12Å; P331-L334 PolarHBondContact O-N 2.99Å; L334-V337 PolarHBondContact O-N 3.49Å; L334-Q338 WeakPolarHBondContact O-CB 3.43Å; L334-Q338 PolarHBondContact O-N 3.32Å; L334-M356 HydrophobicContact CD1-CE 4.31Å; L334-M356 HydrophobicContact CD1-SD 4.39Å; L334-M356 HydrophobicContact CD2-CB 4.38Å; L334-M356 HydrophobicContact CD2-CE 4.18Å; L334-M356 HydrophobicContact CD2-CG 3.86Å; L334-M356 HydrophobicContact CD2-SD 3.83Å
335	L	95.6	Very high	96.7	Very high	34 Å²	34	35.8 Å²	35.8	18%	0.178	19%	0.194	C	C	.	.	H	α-helix	trans	-65.6	-42.6	173.6	-71.2	173	0	0	0	112.3	P331 Q332 Y333 Q338 R339	P331-L335 WeakPolarHBondContact O-CG 3.47Å; P331-L335 PolarHBondContact O-N 3.03Å; Q332-L335 PolarHBondContact O-N 3.15Å; Y333-L335 VanDerWaalsContact C-N 3.31Å; Y333-L335 PolarHBondContact O-N 2.73Å; L335-Q338 PolarHBondContact O-N 3.07Å; L335-R339 WeakPolarHBondContact O-CG 3.15Å; L335-R339 PolarHBondContact O-N 2.98Å
336	S	97.1	Very high	96.8	Very high	21 Å²	21	34.8 Å²	34.8	15%	0.147	18%	0.184	C	C	.	.	H	α-helix	trans	-62.2	-45.1	174.6	-75.9	0	0	0	0	111.7	C162 Q332 Y333 Q338 R339 F340	C162-S336 WeakPolarHBondContact O-CB 3.38Å; C162-S336 PolarHBondContact O-OG 2.79Å; Q332-S336 PolarHBondContact NE2-OG 3.4Å; Q332-S336 WeakPolarHBondContact O-CB 3.44Å; Q332-S336 PolarHBondContact O-N 3.41Å; Q332-S336 PolarHBondContact O-OG 2.94Å; Y333-S336 WeakPolarHBondContact O-CB 3.32Å; Y333-S336 PolarHBondContact O-N 3.3Å; Y333-S336 VanDerWaalsContact O-N 3.13Å; S336-Q338 VanDerWaalsContact C-N 3.35Å; S336-Q338 PolarHBondContact O-N 3.42Å; S336-R339 PolarHBondContact O-N 2.94Å; S336-F340 PolarHBondContact O-N 3.35Å
337	V	97.6	Very high	96.6	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-62.1	-42.9	176.5	174.8	0	0	0	0	110.6	C163 Y333 L334 R339 F340 W341 L351 T359	C163-V337 HydrophobicContact CB-CG2 3.86Å; C163-V337 VanDerWaalsContact SG-CG2 3.58Å; Y333-V337 HydrophobicContact CD1-CG2 4.03Å; Y333-V337 HydrophobicContact CD2-CG2 4.39Å; Y333-V337 HydrophobicContact CE1-CG2 3.61Å; Y333-V337 HydrophobicContact CE2-CG2 4Å; Y333-V337 HydrophobicContact CG-CG2 4.39Å; Y333-V337 VanDerWaalsContact O-CG2 3.29Å; Y333-V337 WeakPolarHBondContact O-CG2 3Å; Y333-V337 PolarHBondContact O-N 3.05Å; L334-V337 PolarHBondContact O-N 3.49Å; V337-R339 VanDerWaalsContact C-N 3.35Å; V337-R339 PolarHBondContact O-N 2.88Å; V337-F340 PolarHBondContact O-N 2.81Å; V337-W341 VanDerWaalsContact CG1-CD1 3.47Å; V337-W341 PolarHBondContact O-N 3.08Å; V337-L351 HydrophobicContact CB-CD1 4.46Å; V337-L351 HydrophobicContact CG1-CD1 3.61Å; V337-T359 HydrophobicContact CG1-CG2 3.96Å; V337-T359 HydrophobicContact CG2-CG2 3.99Å
338	Q	96.6	Very high	96.3	Very high	61 Å²	61	44.8 Å²	44.8	29%	0.285	23%	0.225	S	C	.	.	H	α-helix	trans	-58.7	-43.6	174.7	-178.7	172.3	-33.3	0	0	112.5	L334 L335 S336 A342 L351	L334-Q338 WeakPolarHBondContact O-CB 3.43Å; L334-Q338 PolarHBondContact O-N 3.32Å; L335-Q338 PolarHBondContact O-N 3.07Å; S336-Q338 VanDerWaalsContact C-N 3.35Å; S336-Q338 PolarHBondContact O-N 3.42Å; Q338-A342 VanDerWaalsContact O-CB 3.3Å; Q338-A342 WeakPolarHBondContact O-CB 2.87Å; Q338-A342 PolarHBondContact O-N 3.27Å; Q338-L351 HydrophobicContact CB-CD1 4.37Å; Q338-L351 HydrophobicContact CB-CG 4.39Å
339	R	96.6	Very high	96	Very high	157 Å²	157	51.1 Å²	51.1	59%	0.592	25%	0.253	S	S	*	.	H	α-helix	trans	-65.5	-43.9	176.6	-69.2	172.8	-167.8	157.4	2.7	111.7	L335 S336 V337 W341 A342 V343	L335-R339 WeakPolarHBondContact O-CG 3.15Å; L335-R339 PolarHBondContact O-N 2.98Å; S336-R339 PolarHBondContact O-N 2.94Å; V337-R339 VanDerWaalsContact C-N 3.35Å; V337-R339 PolarHBondContact O-N 2.88Å; R339-W341 PolarHBondContact O-N 3.4Å; R339-A342 PolarHBondContact O-N 3.46Å; R339-V343 PolarHBondContact O-N 3.23Å
340	F	97.6	Very high	95.8	Very high	30 Å²	30	51.6 Å²	51.6	13%	0.132	26%	0.255	C	S	.	.	H	α-helix	trans	-56.1	-51.2	177.9	178.4	-92	0	0	0	111.2	F155 L159 C162 S336 V337 A342 V343 Q344	F155-F340 HydrophobicContact CE1-CE1 4.19Å; F155-F340 HydrophobicContact CE1-CZ 4.2Å; F155-F340 HydrophobicContact CE2-CE1 4.41Å; F155-F340 HydrophobicContact CE2-CZ 4.05Å; F155-F340 AromaticContact CZ-CE1 3.69Å; F155-F340 HydrophobicContact CZ-CE1 3.69Å; F155-F340 AromaticContact CZ-CZ 3.7Å; F155-F340 HydrophobicContact CZ-CZ 3.7Å; L159-F340 HydrophobicContact CD2-CD1 3.79Å; L159-F340 HydrophobicContact CD2-CD2 4.35Å; L159-F340 HydrophobicContact CD2-CE1 3.45Å; L159-F340 VanDerWaalsContact CD2-CE1 3.45Å; L159-F340 HydrophobicContact CD2-CE2 4.05Å; L159-F340 HydrophobicContact CD2-CG 4.23Å; L159-F340 HydrophobicContact CD2-CZ 3.59Å; L159-F340 HydrophobicContact CG-CZ 4.41Å; C162-F340 HydrophobicContact CB-CB 4.35Å; C162-F340 HydrophobicContact CB-CD2 4Å; S336-F340 PolarHBondContact O-N 3.35Å; V337-F340 PolarHBondContact O-N 2.81Å; F340-A342 PolarHBondContact O-N 3.2Å; F340-V343 PolarHBondContact O-N 2.94Å; F340-Q344 HydrophobicContact CE1-CG 4.37Å; F340-Q344 PolarHBondContact O-N 2.91Å
341	W	97.7	Very high	95.7	Very high	1 Å²	1	51.1 Å²	51.1	0%	0.004	25%	0.252	C	S	.	.	H	α-helix	trans	-72.9	-27.2	-179	-71.7	112.1	0	0	0	114	F155 V337 R339 V343 Q344 G345 V346 L351 L355 T359 M362 N408 M412	F155-W341 HydrophobicContact CE1-CH2 4.27Å; F155-W341 AromaticContact CZ-CH2 3.89Å; F155-W341 HydrophobicContact CZ-CH2 3.89Å; F155-W341 HydrophobicContact CZ-CZ2 4.45Å; F155-W341 HydrophobicContact CZ-CZ3 4.45Å; V337-W341 VanDerWaalsContact CG1-CD1 3.47Å; V337-W341 PolarHBondContact O-N 3.08Å; R339-W341 PolarHBondContact O-N 3.4Å; W341-V343 VanDerWaalsContact C-N 3.27Å; W341-V343 PolarHBondContact O-N 3.33Å; W341-Q344 HydrophobicContact CE3-CB 4.05Å; W341-Q344 HydrophobicContact CE3-CG 4.22Å; W341-Q344 CarbonylContact O-C 3.35Å; W341-Q344 WeakPolarHBondContact O-CA 2.87Å; W341-Q344 PolarHBondContact O-N 3.12Å; W341-G345 PolarHBondContact O-N 3.21Å; W341-V346 HydrophobicContact CB-CB 4.01Å; W341-V346 HydrophobicContact CB-CG2 4.31Å; W341-V346 HydrophobicContact CE3-CG2 4.24Å; W341-V346 WeakPolarHBondContact O-CB 3.39Å; W341-V346 PolarHBondContact O-N 3.45Å; W341-L351 HydrophobicContact CB-CD1 4.49Å; W341-L351 HydrophobicContact CB-CD2 4.34Å; W341-L351 HydrophobicContact CG-CD1 4.45Å; W341-L355 HydrophobicContact CB-CD2 4.32Å; W341-L355 HydrophobicContact CD2-CD1 3.94Å; W341-L355 HydrophobicContact CD2-CD2 4.11Å; W341-L355 HydrophobicContact CD2-CG 4.39Å; W341-L355 HydrophobicContact CE3-CD1 4.4Å; W341-L355 HydrophobicContact CG-CD1 4.44Å; W341-L355 HydrophobicContact CG-CD2 3.88Å; W341-L355 HydrophobicContact CG-CG 4.39Å; W341-L355 HydrophobicContact CH2-CD1 4.21Å; W341-L355 HydrophobicContact CZ2-CD1 3.69Å; W341-T359 PolarHBondContact NE1-OG1 3.16Å; W341-M362 HydrophobicContact CH2-CE 4.23Å; W341-M362 HydrophobicContact CZ2-CE 3.85Å; W341-N408 HydrophobicContact CZ3-CB 3.99Å; W341-M412 HydrophobicContact CH2-CE 3.49Å; W341-M412 VanDerWaalsContact CH2-CE 3.49Å; W341-M412 HydrophobicContact CH2-SD 3.89Å; W341-M412 HydrophobicContact CZ3-CE 4Å
342	A	96.8	Very high	95.7	Very high	37 Å²	37	51.6 Å²	51.6	31%	0.306	26%	0.256	S	S	.	.	H	α-helix	trans	-62.2	-35.2	173.5	0	0	0	0	0	112.4	Q338 R339 F340 Q344 G345 V346	Q338-A342 VanDerWaalsContact O-CB 3.3Å; Q338-A342 WeakPolarHBondContact O-CB 2.87Å; Q338-A342 PolarHBondContact O-N 3.27Å; R339-A342 PolarHBondContact O-N 3.46Å; F340-A342 PolarHBondContact O-N 3.2Å; A342-Q344 VanDerWaalsContact C-N 3.29Å; A342-G345 PolarHBondContact O-N 3.19Å; A342-V346 WeakPolarHBondContact CA-O 3.23Å
343	V	95.1	Very high	95.7	Very high	124 Å²	124	48.7 Å²	48.7	75%	0.752	25%	0.245	S	C	*	.	H	α-helix	trans	-67.7	-31.6	173.2	177.2	0	0	0	0	111.2	R339 F340 W341 G345	R339-V343 PolarHBondContact O-N 3.23Å; F340-V343 PolarHBondContact O-N 2.94Å; W341-V343 VanDerWaalsContact C-N 3.27Å; W341-V343 PolarHBondContact O-N 3.33Å; V343-G345 PolarHBondContact O-N 3.22Å
344	Q	94.1	Very high	95.7	Very high	84 Å²	84	49 Å²	49	39%	0.393	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	14.3	174.2	-53.2	-62.2	-21.7	0	0	113.3	F340 W341 A342 V346 N408	F340-Q344 HydrophobicContact CE1-CG 4.37Å; F340-Q344 PolarHBondContact O-N 2.91Å; W341-Q344 HydrophobicContact CE3-CB 4.05Å; W341-Q344 HydrophobicContact CE3-CG 4.22Å; W341-Q344 CarbonylContact O-C 3.35Å; W341-Q344 WeakPolarHBondContact O-CA 2.87Å; W341-Q344 PolarHBondContact O-N 3.12Å; A342-Q344 VanDerWaalsContact C-N 3.29Å; Q344-V346 PolarHBondContact O-N 2.91Å; Q344-N408 PolarHBondContact O-ND2 3.47Å; Q344-N408 VanDerWaalsContact O-ND2 3.14Å; Q344-N408 PolarHBondContact O-OD1 3.48Å
345	G	94.1	Very high	95.8	Very high	36 Å²	36	48.8 Å²	48.8	37%	0.371	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.5	2.8	176.1	0	0	0	0	0	115.7	W341 A342 V343 R347	W341-G345 PolarHBondContact O-N 3.21Å; A342-G345 PolarHBondContact O-N 3.19Å; V343-G345 PolarHBondContact O-N 3.22Å; G345-R347 PolarHBondContact O-N 3.4Å; G345-R347 VanDerWaalsContact O-N 3.15Å
346	V	96.1	Very high	95.9	Very high	2 Å²	2	47.6 Å²	47.6	1%	0.012	24%	0.241	C	C	.	.			trans	-85.5	85.5	174.3	-173.5	0	0	0	0	109.6	W341 A342 Q344 L351 L355 A401 H404 E405 N408	W341-V346 HydrophobicContact CB-CB 4.01Å; W341-V346 HydrophobicContact CB-CG2 4.31Å; W341-V346 HydrophobicContact CE3-CG2 4.24Å; W341-V346 WeakPolarHBondContact O-CB 3.39Å; W341-V346 PolarHBondContact O-N 3.45Å; A342-V346 WeakPolarHBondContact CA-O 3.23Å; Q344-V346 PolarHBondContact O-N 2.91Å; V346-L351 HydrophobicContact CG1-CD2 4Å; V346-L355 HydrophobicContact CG1-CD2 4.17Å; V346-A401 HydrophobicContact CG1-CB 4.43Å; V346-H404 HydrophobicContact CG2-CB 4.44Å; V346-E405 HydrophobicContact CG1-CG 3.77Å; V346-N408 WeakPolarHBondContact CG2-ND2 3.15Å
347	R	93.7	Very high	96	Very high	212 Å²	212	46.7 Å²	46.7	80%	0.8	23%	0.234	S	C	*	.			trans	-97.2	102.7	177.6	-62.8	-177.7	-177.1	175.4	1.4	110.2	G345	G345-R347 PolarHBondContact O-N 3.4Å; G345-R347 VanDerWaalsContact O-N 3.15Å
348	A	92.9	Very high	96	Very high	27 Å²	27	46.7 Å²	46.7	22%	0.223	23%	0.234	C	C	.	.			trans	-135.7	160.9	-179.9	0	0	0	0	0	111.4	R350 A401	A348-R350 VanDerWaalsContact C-N 3.27Å; A348-R350 PolarHBondContact O-N 2.85Å; A348-A401 HydrophobicContact CB-CB 3.78Å
349	K	92.1	Very high	96.1	Very high	135 Å²	135	43.8 Å²	43.8	59%	0.587	22%	0.221	S	C	*	.	S	Bend	trans	-64.1	-36.5	170	-179.9	171	179.8	172	0	111.4	F399	K349-F399 HydrophobicContact CD-CD2 3.9Å; K349-F399 HydrophobicContact CD-CE2 3.97Å; K349-F399 HydrophobicContact CG-CD2 4.38Å; K349-F399 HydrophobicContact CG-CE2 4.32Å; K349-F399 PolarHBondContact N-O 3.37Å
350	R	93.3	Very high	96.2	Very high	16 Å²	16	36.3 Å²	36.3	6%	0.06	19%	0.193	C	C	.	.	S	Bend	trans	-152	145.3	172.1	-162.6	-178.7	-169.7	-163.1	1.6	109.7	E185 Y302 A348 M356 F399 H400	E185-R350 IonicContact OE1-CZ 3.43Å; E185-R350 IonicContact OE1-NH2 3.95Å; E185-R350 PolarHBondContact OE1-NH2 3.31Å; E185-R350 IonicContact OE2-CZ 3.97Å; E185-R350 IonicContact OE2-NE 3.25Å; E185-R350 PolarHBondContact OE2-NE 3.33Å; E185-R350 IonicContact OE2-NH2 2.81Å; E185-R350 PolarHBondContact OE2-NH2 2.92Å; Y302-R350 HydrophobicContact CE2-CG 4.36Å; A348-R350 VanDerWaalsContact C-N 3.27Å; A348-R350 PolarHBondContact O-N 2.85Å; R350-M356 HydrophobicContact CG-CE 4.2Å; R350-F399 HydrophobicContact CB-CD1 4.37Å; R350-F399 HydrophobicContact CB-CE1 3.79Å; R350-F399 HydrophobicContact CB-CZ 4.04Å; R350-F399 HydrophobicContact CG-CE1 4.48Å; R350-F399 PolarHBondContact N-O 2.86Å; R350-F399 VanDerWaalsContact N-O 3.09Å; R350-H400 PolarHBondContact O-ND1 3.46Å
351	L	95.3	Very high	96.2	Very high	5 Å²	5	34.9 Å²	34.9	3%	0.026	19%	0.187	C	C	.	.			trans	-66.3	154.9	171.8	-54.4	-175.3	0	0	0	111.3	V337 Q338 W341 V346 L355 M356 H400	V337-L351 HydrophobicContact CB-CD1 4.46Å; V337-L351 HydrophobicContact CG1-CD1 3.61Å; Q338-L351 HydrophobicContact CB-CD1 4.37Å; Q338-L351 HydrophobicContact CB-CG 4.39Å; W341-L351 HydrophobicContact CB-CD1 4.49Å; W341-L351 HydrophobicContact CB-CD2 4.34Å; W341-L351 HydrophobicContact CG-CD1 4.45Å; V346-L351 HydrophobicContact CG1-CD2 4Å; L351-L355 HydrophobicContact CB-CD2 4.22Å; L351-L355 HydrophobicContact CD1-CD2 3.99Å; L351-L355 HydrophobicContact CD1-CG 4.37Å; L351-L355 HydrophobicContact CD2-CD2 3.82Å; L351-L355 HydrophobicContact CG-CD2 4.22Å; L351-M356 HydrophobicContact CB-CE 4.21Å; L351-M356 HydrophobicContact CB-CG 4.47Å; L351-H400 PolarHBondContact O-CE1 3.08Å; L351-H400 VanDerWaalsContact O-CE1 3.24Å; L351-H400 PolarHBondContact O-ND1 3.01Å
352	S	96.9	Very high	96.2	Very high	12 Å²	12	35.3 Å²	35.3	8%	0.084	19%	0.188	C	C	.	.			trans	-69.7	154.8	171	79.6	0	0	0	0	111.7	G354 L355 M356 E405	S352-G354 PolarHBondContact O-N 3.43Å; S352-G354 PolarHBondContact OG-N 3.38Å; S352-L355 PolarHBondContact O-N 3.32Å; S352-L355 PolarHBondContact OG-N 3.06Å; S352-M356 WeakPolarHBondContact O-CG 3.47Å; S352-M356 PolarHBondContact O-N 3.36Å; S352-M356 VanDerWaalsContact O-N 3.09Å; S352-E405 WeakPolarHBondContact CB-OE2 3.36Å; S352-E405 PolarHBondContact N-OE1 2.86Å; S352-E405 VanDerWaalsContact N-OE1 3.07Å; S352-E405 PolarHBondContact OG-OE2 3.41Å
353	S	96.9	Very high	96.2	Very high	22 Å²	22	33.5 Å²	33.5	15%	0.154	17%	0.174	C	C	.	.	H	α-helix	trans	-56.1	-34.8	170.3	-52.5	0	0	0	0	111.6	N244 M356 L357	N244-S353 PolarHBondContact ND2-OG 3.17Å; N244-S353 PolarHBondContact OD1-OG 2.99Å; S353-M356 PolarHBondContact O-N 3.43Å; S353-L357 WeakPolarHBondContact O-CG 3.36Å; S353-L357 PolarHBondContact O-N 2.86Å
354	G	97.8	Very high	96.3	Very high	8 Å²	8	27.6 Å²	27.6	8%	0.082	14%	0.138	C	C	.	.	H	α-helix	trans	-59.8	-52.1	176	0	0	0	0	0	111.5	S352 M356 L357 V358	S352-G354 PolarHBondContact O-N 3.43Å; S352-G354 PolarHBondContact OG-N 3.38Å; G354-M356 VanDerWaalsContact C-N 3.29Å; G354-M356 PolarHBondContact O-N 2.92Å; G354-L357 PolarHBondContact O-N 2.71Å; G354-V358 VanDerWaalsContact O-CG2 3.26Å; G354-V358 WeakPolarHBondContact O-CG2 3.36Å; G354-V358 PolarHBondContact O-N 3.09Å
355	L	98.2	Very high	96.5	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-63.4	-35.2	178.6	-176.8	59.6	0	0	0	112.7	W341 V346 L351 S352 T359 E405 F409	W341-L355 HydrophobicContact CB-CD2 4.32Å; W341-L355 HydrophobicContact CD2-CD1 3.94Å; W341-L355 HydrophobicContact CD2-CD2 4.11Å; W341-L355 HydrophobicContact CD2-CG 4.39Å; W341-L355 HydrophobicContact CE3-CD1 4.4Å; W341-L355 HydrophobicContact CG-CD1 4.44Å; W341-L355 HydrophobicContact CG-CD2 3.88Å; W341-L355 HydrophobicContact CG-CG 4.39Å; W341-L355 HydrophobicContact CH2-CD1 4.21Å; W341-L355 HydrophobicContact CZ2-CD1 3.69Å; V346-L355 HydrophobicContact CG1-CD2 4.17Å; L351-L355 HydrophobicContact CB-CD2 4.22Å; L351-L355 HydrophobicContact CD1-CD2 3.99Å; L351-L355 HydrophobicContact CD1-CG 4.37Å; L351-L355 HydrophobicContact CD2-CD2 3.82Å; L351-L355 HydrophobicContact CG-CD2 4.22Å; S352-L355 PolarHBondContact O-N 3.32Å; S352-L355 PolarHBondContact OG-N 3.06Å; L355-T359 WeakPolarHBondContact O-CB 3.46Å; L355-T359 PolarHBondContact O-N 2.99Å; L355-T359 PolarHBondContact O-OG1 3.31Å; L355-E405 HydrophobicContact CB-CG 4.48Å; L355-E405 HydrophobicContact CD2-CB 4.35Å; L355-E405 HydrophobicContact CD2-CG 3.75Å; L355-F409 HydrophobicContact CB-CZ 4.46Å; L355-F409 HydrophobicContact CD1-CE1 3.63Å; L355-F409 HydrophobicContact CD1-CZ 3.62Å
356	M	98	Very high	96.7	Very high	9 Å²	9	26.9 Å²	26.9	4%	0.044	13%	0.125	C	C	.	.	H	α-helix	trans	-60.3	-48.9	173.3	-64.6	170.3	179.8	0	0	111.3	L334 R350 L351 S352 S353 G354 T359 A360	L334-M356 HydrophobicContact CD1-CE 4.31Å; L334-M356 HydrophobicContact CD1-SD 4.39Å; L334-M356 HydrophobicContact CD2-CB 4.38Å; L334-M356 HydrophobicContact CD2-CE 4.18Å; L334-M356 HydrophobicContact CD2-CG 3.86Å; L334-M356 HydrophobicContact CD2-SD 3.83Å; R350-M356 HydrophobicContact CG-CE 4.2Å; L351-M356 HydrophobicContact CB-CE 4.21Å; L351-M356 HydrophobicContact CB-CG 4.47Å; S352-M356 WeakPolarHBondContact O-CG 3.47Å; S352-M356 PolarHBondContact O-N 3.36Å; S352-M356 VanDerWaalsContact O-N 3.09Å; S353-M356 PolarHBondContact O-N 3.43Å; G354-M356 VanDerWaalsContact C-N 3.29Å; G354-M356 PolarHBondContact O-N 2.92Å; M356-T359 PolarHBondContact O-N 3.07Å; M356-A360 PolarHBondContact O-N 3.03Å
357	L	98.5	Very high	96.8	Very high	2 Å²	2	29.5 Å²	29.5	1%	0.01	14%	0.137	C	C	.	.	H	α-helix	trans	-69.7	-37.8	179.3	-67	-172.6	0	0	0	113	V218 F241 R242 L262 T264 F329 S353 G354 T359 A360 A361	V218-L357 HydrophobicContact CG1-CB 3.99Å; F241-L357 HydrophobicContact CB-CB 4.48Å; F241-L357 HydrophobicContact CB-CD1 4.1Å; F241-L357 HydrophobicContact CD1-CD2 4.2Å; R242-L357 WeakPolarHBondContact O-CD1 3.01Å; L262-L357 HydrophobicContact CD2-CD2 3.85Å; T264-L357 HydrophobicContact CG2-CD1 3.7Å; T264-L357 HydrophobicContact CG2-CD2 3.66Å; T264-L357 HydrophobicContact CG2-CG 3.86Å; F329-L357 HydrophobicContact CZ-CD2 4.1Å; S353-L357 WeakPolarHBondContact O-CG 3.36Å; S353-L357 PolarHBondContact O-N 2.86Å; G354-L357 PolarHBondContact O-N 2.71Å; L357-T359 VanDerWaalsContact C-N 3.29Å; L357-T359 PolarHBondContact O-N 3.36Å; L357-A360 PolarHBondContact O-N 2.98Å; L357-A361 WeakPolarHBondContact O-CB 3.07Å; L357-A361 PolarHBondContact O-N 3.4Å
358	V	98.7	Very high	97	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-61.3	-42	174.6	172.2	0	0	0	0	110.6	V218 G354 A361 M362 L370 F373 F409	V218-V358 HydrophobicContact CB-CG2 4.3Å; V218-V358 HydrophobicContact CG1-CG2 3.89Å; G354-V358 VanDerWaalsContact O-CG2 3.26Å; G354-V358 WeakPolarHBondContact O-CG2 3.36Å; G354-V358 PolarHBondContact O-N 3.09Å; V358-A361 PolarHBondContact O-N 3.3Å; V358-M362 HydrophobicContact CG1-CE 3.96Å; V358-M362 WeakPolarHBondContact O-CG 3.42Å; V358-M362 PolarHBondContact O-N 2.91Å; V358-L370 HydrophobicContact CB-CD2 4.42Å; V358-L370 HydrophobicContact CG1-CD1 4.08Å; V358-L370 HydrophobicContact CG1-CD2 4.14Å; V358-L370 HydrophobicContact CG2-CD1 3.87Å; V358-L370 HydrophobicContact CG2-CD2 3.52Å; V358-L370 HydrophobicContact CG2-CG 4.39Å; V358-F373 HydrophobicContact CG2-CE1 3.83Å; V358-F373 HydrophobicContact CG2-CE2 4.07Å; V358-F373 HydrophobicContact CG2-CZ 3.46Å; V358-F373 VanDerWaalsContact CG2-CZ 3.46Å; V358-F409 HydrophobicContact CB-CE1 4.15Å; V358-F409 HydrophobicContact CB-CZ 4.13Å; V358-F409 HydrophobicContact CG1-CD1 4.31Å; V358-F409 HydrophobicContact CG1-CE1 3.61Å; V358-F409 HydrophobicContact CG1-CZ 4.08Å; V358-F409 HydrophobicContact CG2-CE1 4.37Å; V358-F409 HydrophobicContact CG2-CZ 4.01Å
359	T	98.4	Very high	97.3	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-62.7	-46.7	176.4	-51.5	0	0	0	0	111.3	L159 V337 W341 L355 M356 L357 A361 M362 E363	L159-T359 HydrophobicContact CD1-CG2 4.23Å; L159-T359 HydrophobicContact CD2-CG2 3.82Å; V337-T359 HydrophobicContact CG1-CG2 3.96Å; V337-T359 HydrophobicContact CG2-CG2 3.99Å; W341-T359 PolarHBondContact NE1-OG1 3.16Å; L355-T359 WeakPolarHBondContact O-CB 3.46Å; L355-T359 PolarHBondContact O-N 2.99Å; L355-T359 PolarHBondContact O-OG1 3.31Å; M356-T359 PolarHBondContact O-N 3.07Å; L357-T359 VanDerWaalsContact C-N 3.29Å; L357-T359 PolarHBondContact O-N 3.36Å; T359-A361 PolarHBondContact O-N 3.42Å; T359-M362 PolarHBondContact O-N 3.48Å; T359-E363 PolarHBondContact O-N 2.95Å
360	A	98.1	Very high	97.6	Very high	1 Å²	1	12.2 Å²	12.2	1%	0.008	6%	0.063	C	C	.	.	H	α-helix	trans	-61.1	-44.8	176.5	0	0	0	0	0	112.1	L169 M356 L357 M362 E363 L364	L169-A360 HydrophobicContact CD1-CB 3.74Å; L169-A360 HydrophobicContact CD2-CB 3.82Å; L169-A360 HydrophobicContact CG-CB 4.48Å; M356-A360 PolarHBondContact O-N 3.03Å; L357-A360 PolarHBondContact O-N 2.98Å; A360-M362 VanDerWaalsContact C-N 3.32Å; A360-M362 PolarHBondContact O-N 3.24Å; A360-E363 PolarHBondContact O-N 3.31Å; A360-L364 WeakPolarHBondContact O-CB 3.18Å; A360-L364 VanDerWaalsContact O-CG 3.31Å; A360-L364 WeakPolarHBondContact O-CG 3.46Å; A360-L364 PolarHBondContact O-N 3.09Å
361	A	98.5	Very high	97.9	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-60.6	-39.9	178.5	0	0	0	0	0	112	V218 F241 L357 V358 T359 E363 L364 C365 V368	V218-A361 HydrophobicContact CG2-CB 3.56Å; F241-A361 HydrophobicContact CD2-CB 4.1Å; F241-A361 HydrophobicContact CE2-CB 3.77Å; F241-A361 HydrophobicContact CZ-CB 4.27Å; L357-A361 WeakPolarHBondContact O-CB 3.07Å; L357-A361 PolarHBondContact O-N 3.4Å; V358-A361 PolarHBondContact O-N 3.3Å; T359-A361 PolarHBondContact O-N 3.42Å; A361-E363 PolarHBondContact O-N 2.9Å; A361-L364 PolarHBondContact O-N 3.23Å; A361-C365 WeakPolarHBondContact O-CB 3.36Å; A361-C365 PolarHBondContact O-N 2.92Å; A361-C365 PolarHBondContact O-SG 2.92Å; A361-V368 HydrophobicContact CB-CG1 4.04Å; A361-V368 HydrophobicContact CB-CG2 4.07Å
362	M	97.8	Very high	98	Very high	9 Å²	9	11.4 Å²	11.4	4%	0.044	6%	0.061	C	C	.	.	H	α-helix	trans	-65.5	-22.9	175.9	-72.2	-174.3	-66.1	0	0	113.6	F155 K156 L159 W341 V358 T359 A360 V368 M412 I417 I418	F155-M362 HydrophobicContact CD1-CE 4.35Å; F155-M362 HydrophobicContact CD1-SD 3.93Å; F155-M362 HydrophobicContact CE1-CE 3.73Å; F155-M362 HydrophobicContact CE1-SD 3.82Å; K156-M362 WeakPolarHBondContact CE-O 3.31Å; K156-M362 WeakPolarHBondContact CG-O 3.27Å; L159-M362 HydrophobicContact CD1-CB 3.66Å; L159-M362 HydrophobicContact CD1-CE 3.91Å; L159-M362 HydrophobicContact CD1-SD 4.47Å; W341-M362 HydrophobicContact CH2-CE 4.23Å; W341-M362 HydrophobicContact CZ2-CE 3.85Å; V358-M362 HydrophobicContact CG1-CE 3.96Å; V358-M362 WeakPolarHBondContact O-CG 3.42Å; V358-M362 PolarHBondContact O-N 2.91Å; T359-M362 PolarHBondContact O-N 3.48Å; A360-M362 VanDerWaalsContact C-N 3.32Å; A360-M362 PolarHBondContact O-N 3.24Å; M362-V368 HydrophobicContact CG-CG2 4.24Å; M362-M412 HydrophobicContact SD-SD 4.14Å; M362-I417 HydrophobicContact SD-CG2 4.35Å; M362-I418 HydrophobicContact CG-CG2 3.9Å; M362-I418 HydrophobicContact SD-CG2 3.67Å
363	E	96.8	Very high	98	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-87.2	-32.4	174.5	-67.2	-175.7	81.9	0	0	112.6	L159 N164 A165 Y333 T359 A360 A361	L159-E363 HydrophobicContact CB-CG 3.55Å; L159-E363 HydrophobicContact CD1-CG 4.01Å; L159-E363 HydrophobicContact CG-CG 4.43Å; N164-E363 VanDerWaalsContact CA-OE1 3.29Å; N164-E363 WeakPolarHBondContact CA-OE1 3.18Å; N164-E363 PolarHBondContact N-OE1 3.23Å; N164-E363 VanDerWaalsContact N-OE1 3.15Å; A165-E363 HydrophobicContact CB-CB 3.8Å; A165-E363 VanDerWaalsContact CB-CD 3.5Å; A165-E363 HydrophobicContact CB-CG 4.24Å; A165-E363 WeakPolarHBondContact CB-OE2 3.46Å; A165-E363 PolarHBondContact N-OE1 3.02Å; Y333-E363 WeakPolarHBondContact CE2-OE2 3.44Å; Y333-E363 PolarHBondContact OH-OE2 3.4Å; T359-E363 PolarHBondContact O-N 2.95Å; A360-E363 PolarHBondContact O-N 3.31Å; A361-E363 PolarHBondContact O-N 2.9Å
364	L	97.1	Very high	98	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-96.1	-18.3	-173	-62.4	177.2	0	0	0	114.4	P166 L169 M206 F208 S209 S211 Q212 F213 F241 A360 A361	P166-L364 HydrophobicContact CG-CD2 4.18Å; L169-L364 HydrophobicContact CD2-CD1 4.03Å; M206-L364 HydrophobicContact CE-CD1 4.45Å; F208-L364 HydrophobicContact CB-CD1 4.2Å; F208-L364 HydrophobicContact CB-CD2 4.08Å; F208-L364 HydrophobicContact CD2-CD1 4.22Å; S209-L364 WeakPolarHBondContact O-CD2 3.42Å; S211-L364 CarbonylContact C-O 3.56Å; S211-L364 VanDerWaalsContact C-O 3.29Å; S211-L364 WeakPolarHBondContact CA-O 3.49Å; S211-L364 PolarHBondContact N-O 3.45Å; Q212-L364 PolarHBondContact N-O 3.05Å; F213-L364 PolarHBondContact N-O 2.94Å; F241-L364 HydrophobicContact CZ-CD1 4.39Å; A360-L364 WeakPolarHBondContact O-CB 3.18Å; A360-L364 VanDerWaalsContact O-CG 3.31Å; A360-L364 WeakPolarHBondContact O-CG 3.46Å; A360-L364 PolarHBondContact O-N 3.09Å; A361-L364 PolarHBondContact O-N 3.23Å
365	C	98.1	Very high	97.8	Very high	1 Å²	1	11.7 Å²	11.7	1%	0.007	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	153.5	-172.3	-45.7	0	0	0	0	112.2	K156 F213 C216 A361 V368	K156-C365 VanDerWaalsContact CE-O 3.28Å; K156-C365 WeakPolarHBondContact CE-O 3.38Å; K156-C365 PolarHBondContact NZ-O 3.14Å; F213-C365 HydrophobicContact CB-CB 4.43Å; F213-C365 CarbonylContact O-C 3.47Å; F213-C365 VanDerWaalsContact O-CA 3.23Å; F213-C365 WeakPolarHBondContact O-CA 3.33Å; C216-C365 HydrophobicContact CB-CB 3.61Å; C216-C365 WeakPolarHBondContact CB-SG 3.3Å; C216-C365 WeakPolarHBondContact SG-CB 3.32Å; C216-C365 CovalentContact SG-SG 2.01Å; C216-C365 PolarHBondContact SG-SG 3.03Å; A361-C365 WeakPolarHBondContact O-CB 3.36Å; A361-C365 PolarHBondContact O-N 2.92Å; A361-C365 PolarHBondContact O-SG 2.92Å; C365-V368 HydrophobicContact CB-CG2 4.02Å
366	E	96.9	Very high	97.5	Very high	104 Å²	104	12.6 Å²	12.6	49%	0.486	6%	0.064	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	-45.3	173.2	-60.7	-175.5	171.2	0	0	111.5	Q147 F213 K214	Q147-E366 PolarHBondContact NE2-O 3.29Å; F213-E366 PolarHBondContact O-N 2.74Å; K214-E366 WeakPolarHBondContact O-CB 3.49Å
367	E	98.1	Very high	97.3	Very high	56 Å²	56	15.8 Å²	15.8	26%	0.262	9%	0.085	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	135.9	-179	-171	177.2	173.9	0	0	110.7	W145 K214 C216 H369	W145-E367 HydrophobicContact CH2-CG 4.33Å; W145-E367 WeakPolarHBondContact CZ3-OE1 3.48Å; K214-E367 WeakPolarHBondContact O-CB 3.36Å; K214-E367 PolarHBondContact O-N 2.85Å; C216-E367 PolarHBondContact N-O 3.39Å; E367-H369 IonicContact OE1-CD2 2.81Å; E367-H369 IonicContact OE1-CE1 2.62Å; E367-H369 IonicContact OE1-NE2 3.1Å; E367-H369 PolarHBondContact OE1-NE2 3.22Å
368	V	98.8	Very high	97.1	Very high	5 Å²	5	18.6 Å²	18.6	3%	0.03	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	121.9	-173.8	-179.8	0	0	0	0	110.6	V218 A361 M362 C365 L370 I418 H419	V218-V368 HydrophobicContact CG2-CG1 4.04Å; A361-V368 HydrophobicContact CB-CG1 4.04Å; A361-V368 HydrophobicContact CB-CG2 4.07Å; M362-V368 HydrophobicContact CG-CG2 4.24Å; C365-V368 HydrophobicContact CB-CG2 4.02Å; V368-L370 HydrophobicContact CG1-CD2 3.78Å; V368-I418 HydrophobicContact CB-CG2 4.11Å; V368-I418 HydrophobicContact CG1-CG2 4.38Å; V368-H419 PolarHBondContact O-N 3.5Å
369	H	98.8	Very high	96.8	Very high	6 Å²	6	20.1 Å²	20.1	3%	0.028	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	130.6	175.6	-71.5	-131.6	0	0	0	110	K215 C216 A217 V218 E233 E367 Y371 H419 H421	K215-H369 VanDerWaalsContact CE-CE1 3.43Å; K215-H369 WeakPolarHBondContact CE-CE1 3.32Å; K215-H369 WeakPolarHBondContact CE-NE2 3.31Å; C216-H369 PolarHBondContact O-N 3.34Å; A217-H369 CarbonylContact C-O 3.29Å; A217-H369 WeakPolarHBondContact CA-O 3.3Å; V218-H369 PolarHBondContact N-O 2.84Å; E233-H369 IonicContact OE1-CE1 3.96Å; E233-H369 IonicContact OE1-ND1 2.73Å; E367-H369 IonicContact OE1-CD2 2.81Å; E367-H369 IonicContact OE1-CE1 2.62Å; E367-H369 IonicContact OE1-NE2 3.1Å; E367-H369 PolarHBondContact OE1-NE2 3.22Å; H369-Y371 HydrophobicContact CB-CD2 4.43Å; H369-Y371 HydrophobicContact CB-CE2 3.55Å; H369-Y371 PolarHBondContact ND1-OH 3Å; H369-H419 CarbonylContact C-O 3.39Å; H369-H419 WeakPolarHBondContact CA-O 3.42Å; H369-H419 AromaticContact CE1-ND1 3.47Å; H369-H419 PolarHBondContact CE1-ND1 2.81Å; H369-H419 AromaticContact ND1-ND1 3.79Å; H369-H421 AromaticContact CE1-NE2 3.94Å; H369-H421 AromaticContact CG-NE2 3.89Å; H369-H421 AromaticContact ND1-CE1 3.95Å; H369-H421 AromaticContact ND1-NE2 3.1Å; H369-H421 PolarHBondContact ND1-NE2 3.08Å; H369-H421 VanDerWaalsContact ND1-NE2 3.1Å
370	L	98.8	Very high	96.6	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	126.7	179.7	-58.9	-158.9	0	0	0	110.3	V218 V358 V368 F373 F409 I418 H419 V420 H421	V218-L370 HydrophobicContact CB-CD2 3.73Å; V218-L370 HydrophobicContact CG2-CD2 4.04Å; V218-L370 WeakPolarHBondContact O-CA 3.32Å; V358-L370 HydrophobicContact CB-CD2 4.42Å; V358-L370 HydrophobicContact CG1-CD1 4.08Å; V358-L370 HydrophobicContact CG1-CD2 4.14Å; V358-L370 HydrophobicContact CG2-CD1 3.87Å; V358-L370 HydrophobicContact CG2-CD2 3.52Å; V358-L370 HydrophobicContact CG2-CG 4.39Å; V368-L370 HydrophobicContact CG1-CD2 3.78Å; L370-F373 HydrophobicContact CB-CD2 3.71Å; L370-F373 HydrophobicContact CB-CE2 4.25Å; L370-F373 HydrophobicContact CB-CG 4.36Å; L370-F373 HydrophobicContact CD1-CD2 4.22Å; L370-F373 HydrophobicContact CD1-CG 4.31Å; L370-F373 HydrophobicContact CD2-CD2 4.46Å; L370-F373 HydrophobicContact CD2-CE2 4.19Å; L370-F373 HydrophobicContact CG-CD2 4.37Å; L370-F409 HydrophobicContact CD1-CB 4.28Å; L370-F409 HydrophobicContact CD1-CD1 3.99Å; L370-F409 HydrophobicContact CD1-CD2 3.92Å; L370-F409 HydrophobicContact CD1-CE1 4.33Å; L370-F409 HydrophobicContact CD1-CE2 4.26Å; L370-F409 HydrophobicContact CD1-CG 3.81Å; L370-F409 HydrophobicContact CD1-CZ 4.45Å; L370-I418 HydrophobicContact CD1-CD1 3.63Å; L370-I418 HydrophobicContact CG-CD1 4.18Å; L370-H419 PolarHBondContact N-O 3.31Å; L370-V420 HydrophobicContact CB-CG2 4.31Å; L370-V420 HydrophobicContact CD1-CG2 4.19Å; L370-V420 HydrophobicContact CG-CG2 4.45Å; L370-H421 WeakPolarHBondContact O-CB 3.48Å; L370-H421 PolarHBondContact O-N 2.73Å
371	Y	98.7	Very high	96.2	Very high	2 Å²	2	23.8 Å²	23.8	1%	0.008	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	145.7	175.2	-55.4	-92.7	0	0	0	110.3	A217 V218 G220 C230 E233 I234 H369 F373 H421	A217-Y371 HydrophobicContact CB-CD2 4.26Å; A217-Y371 HydrophobicContact CB-CE2 3.92Å; V218-Y371 PolarHBondContact O-N 3.35Å; G220-Y371 PolarHBondContact N-O 3.36Å; C230-Y371 HydrophobicContact CB-CD1 3.99Å; C230-Y371 HydrophobicContact CB-CE1 4.07Å; E233-Y371 VanDerWaalsContact CD-OH 3.27Å; E233-Y371 PolarHBondContact OE1-OH 3.14Å; I234-Y371 HydrophobicContact CD1-CD1 4.1Å; I234-Y371 HydrophobicContact CD1-CD2 4.15Å; I234-Y371 HydrophobicContact CD1-CG 3.88Å; I234-Y371 HydrophobicContact CG1-CD1 4.07Å; I234-Y371 HydrophobicContact CG1-CD2 3.7Å; I234-Y371 HydrophobicContact CG1-CE1 4.11Å; I234-Y371 HydrophobicContact CG1-CE2 3.71Å; I234-Y371 HydrophobicContact CG1-CG 3.87Å; H369-Y371 HydrophobicContact CB-CD2 4.43Å; H369-Y371 HydrophobicContact CB-CE2 3.55Å; H369-Y371 PolarHBondContact ND1-OH 3Å; Y371-F373 WeakPolarHBondContact O-CD2 3.41Å; Y371-F373 PolarHBondContact O-N 3.28Å; Y371-H421 HydrophobicContact CD1-CB 3.51Å; Y371-H421 AromaticContact CD1-CG 3.7Å; Y371-H421 HydrophobicContact CE1-CB 3.7Å; Y371-H421 AromaticContact CE1-CD2 3.5Å; Y371-H421 AromaticContact CE1-CE1 3.98Å; Y371-H421 AromaticContact CE1-CG 3.31Å; Y371-H421 AromaticContact CE1-ND1 3.67Å; Y371-H421 AromaticContact CE1-NE2 3.93Å; Y371-H421 HydrophobicContact CG-CB 4.34Å; Y371-H421 AromaticContact CZ-CD2 3.67Å; Y371-H421 AromaticContact CZ-CG 3.98Å; Y371-H421 AromaticContact CZ-NE2 3.86Å
372	G	98	Very high	95.9	Very high	3 Å²	3	25.5 Å²	25.5	3%	0.031	15%	0.154	C	C	.	.	S	Bend	trans	69.4	16.4	177.9	0	0	0	0	0	114.3	G220 G222 W374	G220-G372 CarbonylContact C-O 3.57Å; G222-G372 WeakPolarHBondContact CA-O 3.45Å; G222-G372 PolarHBondContact N-O 3.49Å; G372-W374 PolarHBondContact O-N 3.19Å
373	F	97.9	Very high	95.6	Very high	12 Å²	12	30.1 Å²	30.1	5%	0.053	18%	0.177	C	C	.	.			trans	-94.2	87.3	177.1	-79.7	-86.9	0	0	0	111	V218 G220 V358 L370 Y371 I406 F409	V218-F373 HydrophobicContact CB-CE2 4.18Å; V218-F373 HydrophobicContact CG1-CE2 3.86Å; V218-F373 HydrophobicContact CG1-CZ 3.8Å; V218-F373 WeakPolarHBondContact O-CE2 3.23Å; G220-F373 VanDerWaalsContact N-CE2 3.29Å; V358-F373 HydrophobicContact CG2-CE1 3.83Å; V358-F373 HydrophobicContact CG2-CE2 4.07Å; V358-F373 HydrophobicContact CG2-CZ 3.46Å; V358-F373 VanDerWaalsContact CG2-CZ 3.46Å; L370-F373 HydrophobicContact CB-CD2 3.71Å; L370-F373 HydrophobicContact CB-CE2 4.25Å; L370-F373 HydrophobicContact CB-CG 4.36Å; L370-F373 HydrophobicContact CD1-CD2 4.22Å; L370-F373 HydrophobicContact CD1-CG 4.31Å; L370-F373 HydrophobicContact CD2-CD2 4.46Å; L370-F373 HydrophobicContact CD2-CE2 4.19Å; L370-F373 HydrophobicContact CG-CD2 4.37Å; Y371-F373 WeakPolarHBondContact O-CD2 3.41Å; Y371-F373 PolarHBondContact O-N 3.28Å; F373-I406 VanDerWaalsContact C-CD1 3.49Å; F373-I406 HydrophobicContact CB-CD1 3.8Å; F373-I406 HydrophobicContact CD1-CD1 4.19Å; F373-F409 HydrophobicContact CB-CD2 4.28Å; F373-F409 AromaticContact CD1-CD2 4Å; F373-F409 HydrophobicContact CD1-CD2 4Å; F373-F409 AromaticContact CD1-CE2 3.44Å; F373-F409 HydrophobicContact CD1-CE2 3.44Å; F373-F409 VanDerWaalsContact CD1-CE2 3.44Å; F373-F409 HydrophobicContact CD1-CZ 4.34Å; F373-F409 AromaticContact CE1-CE2 3.84Å; F373-F409 HydrophobicContact CE1-CE2 3.84Å; F373-F409 HydrophobicContact CE1-CZ 4.32Å; F373-F409 HydrophobicContact CG-CD2 4.36Å; F373-F409 HydrophobicContact CG-CE2 4.21Å
374	W	95.9	Very high	95.6	Very high	11 Å²	11	37.4 Å²	37.4	4%	0.042	21%	0.21	C	C	.	.			trans	-151.9	114.5	176.1	-165.3	-99.7	0	0	0	111.2	F134 I224 G372 F376 M378 P380 I385 I406 I410 T422	F134-W374 AromaticContact CD1-CH2 3.9Å; F134-W374 HydrophobicContact CD1-CH2 3.9Å; F134-W374 AromaticContact CD1-CZ2 3.76Å; F134-W374 HydrophobicContact CD1-CZ2 3.76Å; F134-W374 AromaticContact CE1-CH2 3.77Å; F134-W374 HydrophobicContact CE1-CH2 3.77Å; F134-W374 AromaticContact CE1-CZ2 3.31Å; F134-W374 HydrophobicContact CE1-CZ2 3.31Å; F134-W374 HydrophobicContact CE2-CZ2 4.31Å; F134-W374 HydrophobicContact CG-CZ2 4.44Å; F134-W374 HydrophobicContact CZ-CH2 4.49Å; F134-W374 AromaticContact CZ-CZ2 3.62Å; F134-W374 HydrophobicContact CZ-CZ2 3.62Å; I224-W374 HydrophobicContact CB-CB 3.64Å; I224-W374 HydrophobicContact CB-CG 4.11Å; I224-W374 HydrophobicContact CD1-CG 4.45Å; I224-W374 HydrophobicContact CG1-CB 4.13Å; I224-W374 HydrophobicContact CG1-CG 4.23Å; I224-W374 HydrophobicContact CG2-CB 3.52Å; I224-W374 HydrophobicContact CG2-CG 4.46Å; G372-W374 PolarHBondContact O-N 3.19Å; W374-F376 AromaticContact CD2-CD2 3.92Å; W374-F376 HydrophobicContact CD2-CD2 3.92Å; W374-F376 AromaticContact CE2-CD2 3.61Å; W374-F376 HydrophobicContact CE3-CD2 4.26Å; W374-F376 HydrophobicContact CG-CD2 4.48Å; W374-F376 HydrophobicContact CH2-CD2 4.04Å; W374-F376 HydrophobicContact CH2-CE2 4.3Å; W374-F376 AromaticContact CZ2-CD2 3.7Å; W374-F376 HydrophobicContact CZ2-CD2 3.7Å; W374-F376 HydrophobicContact CZ2-CE2 4.4Å; W374-F376 HydrophobicContact CZ2-CG 4.47Å; W374-F376 HydrophobicContact CZ3-CD2 4.31Å; W374-F376 HydrophobicContact CZ3-CE2 4.4Å; W374-F376 AromaticContact NE1-CD2 3.96Å; W374-M378 PolarHBondContact NE1-O 3.3Å; W374-P380 HydrophobicContact CH2-CG 3.75Å; W374-P380 HydrophobicContact CZ2-CG 3.79Å; W374-P380 HydrophobicContact CZ3-CG 4.34Å; W374-I385 HydrophobicContact CG-CD1 4.48Å; W374-I406 HydrophobicContact CE3-CG2 4.17Å; W374-I406 HydrophobicContact CZ3-CG2 4.46Å; W374-I410 HydrophobicContact CZ3-CD1 4.26Å; W374-T422 HydrophobicContact CE3-CG2 3.92Å; W374-T422 HydrophobicContact CZ3-CG2 4.14Å
375	A	92.7	Very high	95.5	Very high	24 Å²	24	39.1 Å²	39.1	20%	0.198	22%	0.218	C	C	.	.			trans	-106.9	16.9	-171.8	0	0	0	0	0	112.8	M402 P403 I406	A375-M402 HydrophobicContact CB-CB 3.53Å; A375-P403 HydrophobicContact CB-CG 4.46Å; A375-I406 HydrophobicContact CB-CG1 3.58Å
376	F	93.6	Very high	95.5	Very high	19 Å²	19	41 Å²	41	8%	0.083	23%	0.23	C	C	.	.	S	Bend	trans	-103	151.8	175.7	-53.6	-79.2	0	0	0	110.9	T130 L133 F134 W374 M378 P403 I406	T130-F376 HydrophobicContact CG2-CD1 4.01Å; T130-F376 HydrophobicContact CG2-CE1 4.4Å; L133-F376 HydrophobicContact CD2-CZ 4.06Å; F134-F376 HydrophobicContact CE1-CB 4.1Å; F134-F376 HydrophobicContact CE1-CD1 4.22Å; F134-F376 AromaticContact CE1-CD2 3.72Å; F134-F376 HydrophobicContact CE1-CD2 3.72Å; F134-F376 HydrophobicContact CE1-CE2 4.14Å; F134-F376 AromaticContact CE1-CG 3.76Å; F134-F376 HydrophobicContact CE1-CG 3.76Å; F134-F376 HydrophobicContact CZ-CB 3.57Å; F134-F376 HydrophobicContact CZ-CD1 4.31Å; F134-F376 HydrophobicContact CZ-CD2 4.09Å; F134-F376 AromaticContact CZ-CG 3.75Å; F134-F376 HydrophobicContact CZ-CG 3.75Å; W374-F376 AromaticContact CD2-CD2 3.92Å; W374-F376 HydrophobicContact CD2-CD2 3.92Å; W374-F376 AromaticContact CE2-CD2 3.61Å; W374-F376 HydrophobicContact CE3-CD2 4.26Å; W374-F376 HydrophobicContact CG-CD2 4.48Å; W374-F376 HydrophobicContact CH2-CD2 4.04Å; W374-F376 HydrophobicContact CH2-CE2 4.3Å; W374-F376 AromaticContact CZ2-CD2 3.7Å; W374-F376 HydrophobicContact CZ2-CD2 3.7Å; W374-F376 HydrophobicContact CZ2-CE2 4.4Å; W374-F376 HydrophobicContact CZ2-CG 4.47Å; W374-F376 HydrophobicContact CZ3-CD2 4.31Å; W374-F376 HydrophobicContact CZ3-CE2 4.4Å; W374-F376 AromaticContact NE1-CD2 3.96Å; F376-M378 PolarHBondContact O-N 3.36Å; F376-P403 HydrophobicContact CE1-CB 4.16Å; F376-I406 HydrophobicContact CD2-CG2 4.46Å; F376-I406 HydrophobicContact CE2-CB 4.3Å; F376-I406 HydrophobicContact CE2-CG2 3.77Å
377	P	92.1	Very high	95.4	Very high	77 Å²	77	37.6 Å²	37.6	50%	0.5	21%	0.214	S	C	.	.	S	Bend	trans	-71.4	-16.3	-176.7	28.8	-36.3	0	0	0	114.1	F384 I385	P377-F384 HydrophobicContact CB-CD1 4.35Å; P377-F384 HydrophobicContact CB-CE1 4.4Å; P377-F384 WeakPolarHBondContact O-CA 3.09Å; P377-I385 PolarHBondContact O-N 3.2Å
378	M	94.6	Very high	95.4	Very high	60 Å²	60	36.5 Å²	36.5	30%	0.296	21%	0.209	S	C	.	.	B	Isolated β-bridge	trans	-123.8	146.9	179.1	-63	160.3	-170	0	0	109.3	F134 W374 F376 I383 F384	F134-M378 HydrophobicContact CE2-CB 4.07Å; W374-M378 PolarHBondContact NE1-O 3.3Å; F376-M378 PolarHBondContact O-N 3.36Å; M378-I383 CarbonylContact C-O 3.42Å; M378-I383 WeakPolarHBondContact CA-O 3.39Å; M378-F384 HydrophobicContact CE-CD1 4.26Å; M378-F384 HydrophobicContact CE-CD2 4.45Å; M378-F384 HydrophobicContact CE-CE1 3.51Å; M378-F384 HydrophobicContact CE-CE2 3.73Å; M378-F384 HydrophobicContact CE-CZ 3.21Å; M378-F384 HydrophobicContact CG-CD1 3.82Å; M378-F384 HydrophobicContact CG-CD2 4.5Å; M378-F384 HydrophobicContact CG-CE1 3.99Å; M378-F384 HydrophobicContact CG-CG 4.11Å; M378-F384 HydrophobicContact CG-CZ 4.42Å
379	N	94	Very high	95.3	Very high	33 Å²	33	36.5 Å²	36.5	18%	0.176	21%	0.208	C	C	.	.			trans	-66.5	172.3	169.4	73.2	5.2	0	0	0	111.1	F134 I224 A381 G382 I383 I385	F134-N379 WeakPolarHBondContact CE2-O 3.4Å; I224-N379 HydrophobicContact CD1-CB 3.55Å; N379-A381 PolarHBondContact O-N 2.03Å; N379-A381 VanDerWaalsContact O-N 3.07Å; N379-A381 WeakPolarHBondContact OD1-CA 3.39Å; N379-A381 WeakPolarHBondContact OD1-CB 3.32Å; N379-A381 PolarHBondContact OD1-N 3.38Å; N379-G382 PolarHBondContact O-N 2.82Å; N379-G382 PolarHBondContact OD1-N 2.94Å; N379-G382 VanDerWaalsContact OD1-N 3.15Å; N379-I383 PolarHBondContact N-O 3.28Å; N379-I383 WeakPolarHBondContact OD1-CB 3.5Å; N379-I383 PolarHBondContact OD1-N 2.78Å; N379-I383 PolarHBondContact OD1-O 3.22Å; N379-I385 HydrophobicContact CB-CD1 4.48Å; N379-I385 HydrophobicContact CB-CG2 3.93Å
380	P	93.1	Very high	95.3	Very high	13 Å²	13	39 Å²	39	8%	0.084	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-27.6	177.4	-28.2	35.6	0	0	0	114	R138 W374 G382	R138-P380 VanDerWaalsContact CD-O 3.26Å; R138-P380 WeakPolarHBondContact CD-O 3.29Å; R138-P380 HydrophobicContact CG-CB 3.63Å; R138-P380 PolarHBondContact NH1-O 3.04Å; W374-P380 HydrophobicContact CH2-CG 3.75Å; W374-P380 HydrophobicContact CZ2-CG 3.79Å; W374-P380 HydrophobicContact CZ3-CG 4.34Å; P380-G382 PolarHBondContact O-N 3.08Å
381	A	90.4	Very high	95.1	Very high	64 Å²	64	41.7 Å²	41.7	53%	0.529	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-1.7	176.2	0	0	0	0	0	114.3	N379 I383	N379-A381 PolarHBondContact O-N 2.03Å; N379-A381 VanDerWaalsContact O-N 3.07Å; N379-A381 WeakPolarHBondContact OD1-CA 3.39Å; N379-A381 WeakPolarHBondContact OD1-CB 3.32Å; N379-A381 PolarHBondContact OD1-N 3.38Å; A381-I383 HydrophobicContact CB-CD1 4.43Å; A381-I383 HydrophobicContact CB-CG1 4.42Å
382	G	90.7	Very high	94.9	Very high	36 Å²	36	45.8 Å²	45.8	37%	0.371	25%	0.254	S	S	.	.	S	Bend	trans	84.8	8.1	-178.5	0	0	0	0	0	114.3	N379 P380	N379-G382 PolarHBondContact O-N 2.82Å; N379-G382 PolarHBondContact OD1-N 2.94Å; N379-G382 VanDerWaalsContact OD1-N 3.15Å; P380-G382 PolarHBondContact O-N 3.08Å
383	I	93.2	Very high	94.7	Very high	106 Å²	106	50 Å²	50	54%	0.544	28%	0.279	S	S	.	.			trans	-87.1	130.5	178.8	-56.3	173.3	0	0	0	109	M378 N379 A381 I385	M378-I383 CarbonylContact C-O 3.42Å; M378-I383 WeakPolarHBondContact CA-O 3.39Å; N379-I383 PolarHBondContact N-O 3.28Å; N379-I383 WeakPolarHBondContact OD1-CB 3.5Å; N379-I383 PolarHBondContact OD1-N 2.78Å; N379-I383 PolarHBondContact OD1-O 3.22Å; A381-I383 HydrophobicContact CB-CD1 4.43Å; A381-I383 HydrophobicContact CB-CG1 4.42Å; I383-I385 PolarHBondContact O-N 2.91Å
384	F	95.6	Very high	94.3	Very high	154 Å²	154	54.8 Å²	54.8	68%	0.675	30%	0.3	S	S	*	.	B	Isolated β-bridge	trans	-59.6	136.2	176.7	-76.7	-78.5	0	0	0	112.1	P377 M378	P377-F384 HydrophobicContact CB-CD1 4.35Å; P377-F384 HydrophobicContact CB-CE1 4.4Å; P377-F384 WeakPolarHBondContact O-CA 3.09Å; M378-F384 HydrophobicContact CE-CD1 4.26Å; M378-F384 HydrophobicContact CE-CD2 4.45Å; M378-F384 HydrophobicContact CE-CE1 3.51Å; M378-F384 HydrophobicContact CE-CE2 3.73Å; M378-F384 HydrophobicContact CE-CZ 3.21Å; M378-F384 HydrophobicContact CG-CD1 3.82Å; M378-F384 HydrophobicContact CG-CD2 4.5Å; M378-F384 HydrophobicContact CG-CE1 3.99Å; M378-F384 HydrophobicContact CG-CG 4.11Å; M378-F384 HydrophobicContact CG-CZ 4.42Å
385	I	96.3	Very high	93.9	Very high	35 Å²	35	56.6 Å²	56.6	18%	0.179	31%	0.313	C	S	.	.			trans	-127.6	157.2	176.9	63.5	173.8	0	0	0	111.2	I224 W374 P377 N379 I383	I224-I385 HydrophobicContact CB-CD1 3.99Å; I224-I385 HydrophobicContact CD1-CD1 4.15Å; W374-I385 HydrophobicContact CG-CD1 4.48Å; P377-I385 PolarHBondContact O-N 3.2Å; N379-I385 HydrophobicContact CB-CD1 4.48Å; N379-I385 HydrophobicContact CB-CG2 3.93Å; I383-I385 PolarHBondContact O-N 2.91Å
386	T	96.8	Very high	93.7	Very high	41 Å²	41	64.7 Å²	64.7	25%	0.252	34%	0.338	S	S	.	.			trans	-69.8	156.1	174.8	49.7	0	0	0	0	111	G223 H388 D391 N392	G223-T386 WeakPolarHBondContact CA-O 3.27Å; G223-T386 PolarHBondContact N-O 2.84Å; T386-H388 VanDerWaalsContact CB-O 3.28Å; T386-H388 WeakPolarHBondContact CB-O 3.37Å; T386-H388 PolarHBondContact OG1-O 3.27Å; T386-D391 WeakPolarHBondContact CB-O 3.33Å; T386-N392 HydrophobicContact CG2-CB 4.11Å
387	H	95.6	Very high	93.4	Very high	33 Å²	33	69.5 Å²	69.5	15%	0.153	37%	0.372	C	S	.	.	S	Bend	trans	-64	-48.7	176.7	-173.8	57.2	0	0	0	111.4	G222 G223 N392 V393 K394	G222-H387 VanDerWaalsContact CA-O 3.3Å; G222-H387 WeakPolarHBondContact CA-O 3.21Å; G223-H387 PolarHBondContact N-O 3.35Å; G223-H387 VanDerWaalsContact N-O 3.15Å; H387-N392 PolarHBondContact N-OD1 3.29Å; H387-V393 PolarHBondContact CD2-O 2.62Å; H387-K394 HydrophobicContact CB-CD 3.73Å
388	H	97.6	Very high	93.2	Very high	33 Å²	33	69.4 Å²	69.4	15%	0.153	38%	0.384	C	S	.	.	B	Isolated β-bridge	trans	-104.7	162.9	173.3	-58.5	127.8	0	0	0	111.4	N221 T386 Y390 D391 V393	N221-H388 CarbonylContact O-C 3.43Å; N221-H388 WeakPolarHBondContact O-CA 3.41Å; T386-H388 VanDerWaalsContact CB-O 3.28Å; T386-H388 WeakPolarHBondContact CB-O 3.37Å; T386-H388 PolarHBondContact OG1-O 3.27Å; H388-Y390 HydrophobicContact CB-CD1 4.1Å; H388-Y390 HydrophobicContact CB-CD2 4.08Å; H388-Y390 HydrophobicContact CB-CE1 3.88Å; H388-Y390 HydrophobicContact CB-CE2 3.83Å; H388-Y390 HydrophobicContact CB-CG 4.21Å; H388-Y390 AromaticContact CG-CE2 3.9Å; H388-Y390 AromaticContact CG-CZ 3.67Å; H388-Y390 AromaticContact ND1-CE2 3.84Å; H388-Y390 AromaticContact ND1-CZ 3.95Å; H388-Y390 PolarHBondContact O-N 3.1Å; H388-D391 CarbonylContact C-O 3.55Å; H388-D391 IonicContact CE1-OD1 3.71Å; H388-D391 IonicContact CG-OD1 3.88Å; H388-D391 PolarHBondContact N-O 3.45Å; H388-D391 VanDerWaalsContact N-O 3.15Å; H388-D391 IonicContact ND1-OD1 2.75Å; H388-D391 PolarHBondContact ND1-OD1 2.97Å; H388-D391 IonicContact ND1-OD2 3.63Å; H388-V393 PolarHBondContact CE1-O 2.93Å
389	Y	97.8	Very high	93	Very high	5 Å²	5	68.2 Å²	68.2	2%	0.02	38%	0.378	C	S	.	.	S	Bend	trans	-73.4	-19.8	171.9	64.1	-101.8	0	0	0	113.2	N221 I225 P246 P247 Y252 V256	N221-Y389 HydrophobicContact CB-CE1 4.38Å; N221-Y389 VanDerWaalsContact O-CD1 3.27Å; N221-Y389 WeakPolarHBondContact O-CD1 3.4Å; N221-Y389 PolarHBondContact O-N 3.23Å; I225-Y389 HydrophobicContact CG2-CD1 3.79Å; I225-Y389 HydrophobicContact CG2-CG 3.93Å; P246-Y389 HydrophobicContact CB-CE1 4.36Å; P246-Y389 VanDerWaalsContact CB-OH 3.25Å; P246-Y389 WeakPolarHBondContact CB-OH 3.38Å; P246-Y389 WeakPolarHBondContact CG-OH 3.33Å; P247-Y389 WeakPolarHBondContact O-CE2 3.41Å; P247-Y389 PolarHBondContact O-OH 3.44Å; Y252-Y389 AromaticContact CD1-CD2 3.72Å; Y252-Y389 HydrophobicContact CD1-CD2 3.72Å; Y252-Y389 HydrophobicContact CD1-CE2 4.12Å; Y252-Y389 HydrophobicContact CD2-CE2 4.3Å; Y252-Y389 HydrophobicContact CE1-CD2 4.2Å; Y252-Y389 AromaticContact CG-CD2 3.98Å; Y252-Y389 HydrophobicContact CG-CD2 3.98Å; Y252-Y389 AromaticContact CG-CE2 3.88Å; Y252-Y389 HydrophobicContact CG-CE2 3.88Å; V256-Y389 HydrophobicContact CG1-CD1 4.33Å; V256-Y389 HydrophobicContact CG1-CD2 4.23Å; V256-Y389 HydrophobicContact CG1-CE1 4.17Å; V256-Y389 HydrophobicContact CG1-CE2 4.04Å; V256-Y389 HydrophobicContact CG1-CG 4.36Å; V256-Y389 HydrophobicContact CG2-CE2 4.43Å
390	Y	97	Very high	93	Very high	58 Å²	58	69.2 Å²	69.2	23%	0.227	38%	0.381	C	S	.	.	S	Bend	trans	-107.2	-17.1	-177.3	51.6	-96.8	0	0	0	114.7	N221 P246 P247 H388	N221-Y390 HydrophobicContact CB-CE1 3.94Å; N221-Y390 PolarHBondContact ND2-OH 3.27Å; P246-Y390 HydrophobicContact CB-CD1 4.3Å; P246-Y390 HydrophobicContact CB-CE1 3.61Å; P247-Y390 VanDerWaalsContact CG-CB 3.43Å; P247-Y390 HydrophobicContact CG-CD1 3.77Å; P247-Y390 HydrophobicContact CG-CD2 4.2Å; P247-Y390 HydrophobicContact CG-CG 3.53Å; H388-Y390 HydrophobicContact CB-CD1 4.1Å; H388-Y390 HydrophobicContact CB-CD2 4.08Å; H388-Y390 HydrophobicContact CB-CE1 3.88Å; H388-Y390 HydrophobicContact CB-CE2 3.83Å; H388-Y390 HydrophobicContact CB-CG 4.21Å; H388-Y390 AromaticContact CG-CE2 3.9Å; H388-Y390 AromaticContact CG-CZ 3.67Å; H388-Y390 AromaticContact ND1-CE2 3.84Å; H388-Y390 AromaticContact ND1-CZ 3.95Å; H388-Y390 PolarHBondContact O-N 3.1Å
391	D	95.3	Very high	93.1	Very high	57 Å²	57	69.2 Å²	69.2	31%	0.305	38%	0.382	S	S	.	.			trans	-156.6	-172.1	176.7	70.8	38.8	0	0	0	111.7	T386 H388 V393	T386-D391 WeakPolarHBondContact CB-O 3.33Å; H388-D391 CarbonylContact C-O 3.55Å; H388-D391 IonicContact CE1-OD1 3.71Å; H388-D391 IonicContact CG-OD1 3.88Å; H388-D391 PolarHBondContact N-O 3.45Å; H388-D391 VanDerWaalsContact N-O 3.15Å; H388-D391 IonicContact ND1-OD1 2.75Å; H388-D391 PolarHBondContact ND1-OD1 2.97Å; H388-D391 IonicContact ND1-OD2 3.63Å; D391-V393 HydrophobicContact CB-CG2 4.42Å; D391-V393 WeakPolarHBondContact OD1-CB 3.44Å; D391-V393 PolarHBondContact OD1-N 3.1Å
392	N	95.8	Very high	93.3	Very high	87 Å²	87	68 Å²	68	47%	0.465	37%	0.366	S	S	.	.			trans	-123.8	27.1	173.7	-163.4	29.3	0	0	0	113.5	T386 H387 K394	T386-N392 HydrophobicContact CG2-CB 4.11Å; H387-N392 PolarHBondContact N-OD1 3.29Å; N392-K394 PolarHBondContact O-N 2.81Å; N392-K394 WeakPolarHBondContact OD1-CE 3.38Å; N392-K394 PolarHBondContact OD1-NZ 3.4Å
393	V	92.1	Very high	93.5	Very high	91 Å²	91	68.5 Å²	68.5	55%	0.552	36%	0.363	S	S	*	.	P	Polyproline II helix	trans	-67	122.9	177.8	177.6	0	0	0	0	108.8	H387 H388 D391	H387-V393 PolarHBondContact CD2-O 2.62Å; H388-V393 PolarHBondContact CE1-O 2.93Å; D391-V393 HydrophobicContact CB-CG2 4.42Å; D391-V393 WeakPolarHBondContact OD1-CB 3.44Å; D391-V393 PolarHBondContact OD1-N 3.1Å
394	K	90.6	Very high	93.7	Very high	114 Å²	114	66.5 Å²	66.5	50%	0.496	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-84.7	151.1	-178.5	-61.2	-50.7	-170.9	-171.3	0	111.2	H387 N392	H387-K394 HydrophobicContact CB-CD 3.73Å; N392-K394 PolarHBondContact O-N 2.81Å; N392-K394 WeakPolarHBondContact OD1-CE 3.38Å; N392-K394 PolarHBondContact OD1-NZ 3.4Å
395	P	88.1	Confident	93.8	Very high	49 Å²	49	59.3 Å²	59.3	32%	0.318	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-65.6	160.6	174.1	35	-42	0	0	0	110	P397 M402	P395-P397 WeakPolarHBondContact O-CD 2.94Å; P395-M402 HydrophobicContact CB-CE 3.77Å; P395-M402 HydrophobicContact CG-CE 3.44Å; P395-M402 VanDerWaalsContact CG-CE 3.44Å
396	R	87.1	Confident	93.8	Very high	193 Å²	193	58 Å²	58	73%	0.728	31%	0.313	S	S	*	.	P	Polyproline II helix	trans	-60.4	122.6	169.3	-174.7	176.4	178.4	172.6	2.6	109.9	F399	R396-F399 HydrophobicContact CB-CB 4.33Å; R396-F399 PolarHBondContact O-N 2.96Å
397	P	88.1	Confident	93.8	Very high	121 Å²	121	56.7 Å²	56.7	79%	0.786	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	140.4	179.9	-25.8	34.8	0	0	0	112.4	P395 F399	P395-P397 WeakPolarHBondContact O-CD 2.94Å; P397-F399 PolarHBondContact O-N 3.47Å
398	G	87.6	Confident	93.9	Very high	74 Å²	74	56 Å²	56	76%	0.763	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.3	4.1	175.5	0	0	0	0	0	115.9
399	F	90.5	Very high	94	Very high	36 Å²	36	54.4 Å²	54.4	16%	0.158	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-43	179.1	-160.5	-103.4	0	0	0	112.5	K349 R350 R396 P397	K349-F399 HydrophobicContact CD-CD2 3.9Å; K349-F399 HydrophobicContact CD-CE2 3.97Å; K349-F399 HydrophobicContact CG-CD2 4.38Å; K349-F399 HydrophobicContact CG-CE2 4.32Å; K349-F399 PolarHBondContact N-O 3.37Å; R350-F399 HydrophobicContact CB-CD1 4.37Å; R350-F399 HydrophobicContact CB-CE1 3.79Å; R350-F399 HydrophobicContact CB-CZ 4.04Å; R350-F399 HydrophobicContact CG-CE1 4.48Å; R350-F399 PolarHBondContact N-O 2.86Å; R350-F399 VanDerWaalsContact N-O 3.09Å; R396-F399 HydrophobicContact CB-CB 4.33Å; R396-F399 PolarHBondContact O-N 2.96Å; P397-F399 PolarHBondContact O-N 3.47Å
400	H	93.8	Very high	94	Very high	54 Å²	54	54.2 Å²	54.2	25%	0.25	29%	0.293	C	S	.	.			trans	-117.7	156.3	178	-56.7	-58.3	0	0	0	110.9	R350 L351 M402	R350-H400 PolarHBondContact O-ND1 3.46Å; L351-H400 PolarHBondContact O-CE1 3.08Å; L351-H400 VanDerWaalsContact O-CE1 3.24Å; L351-H400 PolarHBondContact O-ND1 3.01Å; H400-M402 HydrophobicContact CB-CG 3.88Å
401	A	95	Very high	94	Very high	13 Å²	13	52.6 Å²	52.6	11%	0.107	29%	0.288	C	S	.	.			trans	-109.1	46.3	173.6	0	0	0	0	0	111.3	V346 A348 P403 H404 E405	V346-A401 HydrophobicContact CG1-CB 4.43Å; A348-A401 HydrophobicContact CB-CB 3.78Å; A401-P403 VanDerWaalsContact C-CD 3.47Å; A401-P403 VanDerWaalsContact C-N 3.34Å; A401-P403 VanDerWaalsContact O-N 3.13Å; A401-H404 HydrophobicContact CB-CB 4.31Å; A401-H404 WeakPolarHBondContact O-CA 3.47Å; A401-H404 WeakPolarHBondContact O-CB 3.24Å; A401-H404 PolarHBondContact O-N 3.29Å; A401-E405 PolarHBondContact O-N 3.26Å
402	M	95.2	Very high	94.2	Very high	37 Å²	37	50 Å²	50	18%	0.182	27%	0.274	C	S	.	.	H	α-helix	trans	-51.3	-39	-170.5	-65.6	-173	-70.9	0	0	115.2	A375 P395 H400 H404 E405 I406	A375-M402 HydrophobicContact CB-CB 3.53Å; P395-M402 HydrophobicContact CB-CE 3.77Å; P395-M402 HydrophobicContact CG-CE 3.44Å; P395-M402 VanDerWaalsContact CG-CE 3.44Å; H400-M402 HydrophobicContact CB-CG 3.88Å; M402-H404 VanDerWaalsContact C-N 3.26Å; M402-H404 PolarHBondContact O-N 2.63Å; M402-E405 WeakPolarHBondContact O-CB 3.23Å; M402-E405 PolarHBondContact O-N 3.42Å; M402-I406 WeakPolarHBondContact O-CG1 3.16Å; M402-I406 PolarHBondContact O-N 3Å
403	P	95.2	Very high	94.3	Very high	48 Å²	48	46.3 Å²	46.3	31%	0.312	25%	0.254	S	S	.	.	H	α-helix	trans	-57.7	-35.9	173.3	-27.6	36.9	0	0	0	114	L125 A375 F376 A401 F407	L125-P403 HydrophobicContact CD2-CB 3.84Å; A375-P403 HydrophobicContact CB-CG 4.46Å; F376-P403 HydrophobicContact CE1-CB 4.16Å; A401-P403 VanDerWaalsContact C-CD 3.47Å; A401-P403 VanDerWaalsContact C-N 3.34Å; A401-P403 VanDerWaalsContact O-N 3.13Å; P403-F407 WeakPolarHBondContact O-CB 3.41Å; P403-F407 PolarHBondContact O-N 3.2Å
404	H	96.7	Very high	94.6	Very high	64 Å²	64	42.1 Å²	42.1	30%	0.296	23%	0.228	S	C	.	.	H	α-helix	trans	-73.8	-30.4	175.7	-66.6	73.1	0	0	0	112	V346 A401 M402 N408	V346-H404 HydrophobicContact CG2-CB 4.44Å; A401-H404 HydrophobicContact CB-CB 4.31Å; A401-H404 WeakPolarHBondContact O-CA 3.47Å; A401-H404 WeakPolarHBondContact O-CB 3.24Å; A401-H404 PolarHBondContact O-N 3.29Å; M402-H404 VanDerWaalsContact C-N 3.26Å; M402-H404 PolarHBondContact O-N 2.63Å; H404-N408 PolarHBondContact O-N 3.33Å; H404-N408 VanDerWaalsContact O-N 3.13Å; H404-N408 PolarHBondContact O-ND2 3.36Å
405	E	97.7	Very high	94.9	Very high	3 Å²	3	40.9 Å²	40.9	1%	0.014	22%	0.22	C	C	.	.	H	α-helix	trans	-65.3	-49.1	172.2	-52.1	-179.1	-178.2	0	0	110.3	V346 S352 L355 A401 M402 F407 N408 F409	V346-E405 HydrophobicContact CG1-CG 3.77Å; S352-E405 WeakPolarHBondContact CB-OE2 3.36Å; S352-E405 PolarHBondContact N-OE1 2.86Å; S352-E405 VanDerWaalsContact N-OE1 3.07Å; S352-E405 PolarHBondContact OG-OE2 3.41Å; L355-E405 HydrophobicContact CB-CG 4.48Å; L355-E405 HydrophobicContact CD2-CB 4.35Å; L355-E405 HydrophobicContact CD2-CG 3.75Å; A401-E405 PolarHBondContact O-N 3.26Å; M402-E405 WeakPolarHBondContact O-CB 3.23Å; M402-E405 PolarHBondContact O-N 3.42Å; E405-F407 VanDerWaalsContact C-N 3.33Å; E405-F407 PolarHBondContact O-N 2.94Å; E405-N408 WeakPolarHBondContact O-CB 2.98Å; E405-N408 PolarHBondContact O-N 3.48Å; E405-N408 VanDerWaalsContact O-N 3.15Å; E405-F409 HydrophobicContact CB-CE2 4.42Å; E405-F409 WeakPolarHBondContact O-CG 3.36Å; E405-F409 PolarHBondContact O-N 3.32Å
406	I	96.7	Very high	95.4	Very high	7 Å²	7	38.5 Å²	38.5	4%	0.036	21%	0.205	C	C	.	.	H	α-helix	trans	-63.1	-40.1	177.1	-59.7	-50.6	0	0	0	111.7	F373 W374 A375 F376 M402 N408 F409 I410	F373-I406 VanDerWaalsContact C-CD1 3.49Å; F373-I406 HydrophobicContact CB-CD1 3.8Å; F373-I406 HydrophobicContact CD1-CD1 4.19Å; W374-I406 HydrophobicContact CE3-CG2 4.17Å; W374-I406 HydrophobicContact CZ3-CG2 4.46Å; A375-I406 HydrophobicContact CB-CG1 3.58Å; F376-I406 HydrophobicContact CD2-CG2 4.46Å; F376-I406 HydrophobicContact CE2-CB 4.3Å; F376-I406 HydrophobicContact CE2-CG2 3.77Å; M402-I406 WeakPolarHBondContact O-CG1 3.16Å; M402-I406 PolarHBondContact O-N 3Å; I406-N408 VanDerWaalsContact C-N 3.28Å; I406-N408 PolarHBondContact O-N 3.1Å; I406-F409 HydrophobicContact CD1-CD2 3.63Å; I406-F409 HydrophobicContact CD1-CE2 3.95Å; I406-F409 WeakPolarHBondContact O-CA 3.28Å; I406-F409 WeakPolarHBondContact O-CB 3.27Å; I406-F409 PolarHBondContact O-N 3.44Å; I406-I410 HydrophobicContact CG2-CD1 4.12Å; I406-I410 HydrophobicContact CG2-CG1 4.42Å; I406-I410 WeakPolarHBondContact O-CG1 2.98Å; I406-I410 PolarHBondContact O-N 3.46Å
407	F	97.3	Very high	95.9	Very high	13 Å²	13	29.7 Å²	29.7	6%	0.057	17%	0.173	C	C	.	.	H	α-helix	trans	-56.6	-44.5	174.4	-178.1	-109.4	0	0	0	111.3	V122 L125 L133 P403 E405 F409 I410 H411	V122-F407 HydrophobicContact CB-CE2 4.43Å; V122-F407 HydrophobicContact CB-CZ 4.37Å; V122-F407 HydrophobicContact CG1-CE2 3.88Å; V122-F407 HydrophobicContact CG1-CZ 3.85Å; V122-F407 WeakPolarHBondContact O-CZ 2.99Å; L125-F407 HydrophobicContact CB-CB 4.45Å; L125-F407 HydrophobicContact CB-CD1 4.14Å; L125-F407 HydrophobicContact CB-CD2 4.21Å; L125-F407 HydrophobicContact CB-CE1 4.43Å; L125-F407 HydrophobicContact CB-CE2 4.49Å; L125-F407 HydrophobicContact CB-CG 4.01Å; L125-F407 HydrophobicContact CD1-CB 4.31Å; L125-F407 HydrophobicContact CD1-CD2 3.79Å; L125-F407 HydrophobicContact CD1-CE2 4.37Å; L125-F407 HydrophobicContact CD1-CG 4.16Å; L125-F407 HydrophobicContact CD2-CB 4.3Å; L133-F407 HydrophobicContact CD1-CD2 4.48Å; L133-F407 HydrophobicContact CD1-CE2 4.42Å; L133-F407 HydrophobicContact CD2-CD2 4.19Å; P403-F407 WeakPolarHBondContact O-CB 3.41Å; P403-F407 PolarHBondContact O-N 3.2Å; E405-F407 VanDerWaalsContact C-N 3.33Å; E405-F407 PolarHBondContact O-N 2.94Å; F407-F409 VanDerWaalsContact C-N 3.35Å; F407-F409 PolarHBondContact O-N 2.63Å; F407-I410 PolarHBondContact O-N 3.05Å; F407-H411 AromaticContact CE1-CD2 3.89Å; F407-H411 AromaticContact CE1-NE2 3.64Å; F407-H411 AromaticContact CE2-CD2 3.81Å; F407-H411 AromaticContact CE2-NE2 3.37Å; F407-H411 WeakPolarHBondContact CE2-NE2 3.23Å; F407-H411 AromaticContact CZ-CD2 3.7Å; F407-H411 AromaticContact CZ-NE2 3.09Å; F407-H411 WeakPolarHBondContact CZ-NE2 3.33Å; F407-H411 PolarHBondContact O-CD2 2.68Å; F407-H411 VanDerWaalsContact O-CD2 3.23Å; F407-H411 PolarHBondContact O-N 3.16Å; F407-H411 VanDerWaalsContact O-N 3.09Å
408	N	97.8	Very high	96.4	Very high	19 Å²	19	24 Å²	24	10%	0.102	14%	0.135	C	C	.	.	H	α-helix	trans	-62.6	-39	173.2	-86.8	-86.5	0	0	0	112.7	W341 Q344 V346 H404 E405 I406 I410 H411 M412	W341-N408 HydrophobicContact CZ3-CB 3.99Å; Q344-N408 PolarHBondContact O-ND2 3.47Å; Q344-N408 VanDerWaalsContact O-ND2 3.14Å; Q344-N408 PolarHBondContact O-OD1 3.48Å; V346-N408 WeakPolarHBondContact CG2-ND2 3.15Å; H404-N408 PolarHBondContact O-N 3.33Å; H404-N408 VanDerWaalsContact O-N 3.13Å; H404-N408 PolarHBondContact O-ND2 3.36Å; E405-N408 WeakPolarHBondContact O-CB 2.98Å; E405-N408 PolarHBondContact O-N 3.48Å; E405-N408 VanDerWaalsContact O-N 3.15Å; I406-N408 VanDerWaalsContact C-N 3.28Å; I406-N408 PolarHBondContact O-N 3.1Å; N408-I410 PolarHBondContact O-N 3.27Å; N408-H411 PolarHBondContact O-N 3.36Å; N408-M412 HydrophobicContact CB-CE 4.4Å; N408-M412 WeakPolarHBondContact O-CE 3.42Å; N408-M412 WeakPolarHBondContact O-CG 3.27Å; N408-M412 PolarHBondContact O-N 3.22Å
409	F	98.3	Very high	96.9	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-62.8	-40.1	174.9	-58.5	-29.6	0	0	0	112.7	L355 V358 L370 F373 E405 I406 F407 H411 M412 H413 I418 V420	L355-F409 HydrophobicContact CB-CZ 4.46Å; L355-F409 HydrophobicContact CD1-CE1 3.63Å; L355-F409 HydrophobicContact CD1-CZ 3.62Å; V358-F409 HydrophobicContact CB-CE1 4.15Å; V358-F409 HydrophobicContact CB-CZ 4.13Å; V358-F409 HydrophobicContact CG1-CD1 4.31Å; V358-F409 HydrophobicContact CG1-CE1 3.61Å; V358-F409 HydrophobicContact CG1-CZ 4.08Å; V358-F409 HydrophobicContact CG2-CE1 4.37Å; V358-F409 HydrophobicContact CG2-CZ 4.01Å; L370-F409 HydrophobicContact CD1-CB 4.28Å; L370-F409 HydrophobicContact CD1-CD1 3.99Å; L370-F409 HydrophobicContact CD1-CD2 3.92Å; L370-F409 HydrophobicContact CD1-CE1 4.33Å; L370-F409 HydrophobicContact CD1-CE2 4.26Å; L370-F409 HydrophobicContact CD1-CG 3.81Å; L370-F409 HydrophobicContact CD1-CZ 4.45Å; F373-F409 HydrophobicContact CB-CD2 4.28Å; F373-F409 AromaticContact CD1-CD2 4Å; F373-F409 HydrophobicContact CD1-CD2 4Å; F373-F409 AromaticContact CD1-CE2 3.44Å; F373-F409 HydrophobicContact CD1-CE2 3.44Å; F373-F409 VanDerWaalsContact CD1-CE2 3.44Å; F373-F409 HydrophobicContact CD1-CZ 4.34Å; F373-F409 AromaticContact CE1-CE2 3.84Å; F373-F409 HydrophobicContact CE1-CE2 3.84Å; F373-F409 HydrophobicContact CE1-CZ 4.32Å; F373-F409 HydrophobicContact CG-CD2 4.36Å; F373-F409 HydrophobicContact CG-CE2 4.21Å; E405-F409 HydrophobicContact CB-CE2 4.42Å; E405-F409 WeakPolarHBondContact O-CG 3.36Å; E405-F409 PolarHBondContact O-N 3.32Å; I406-F409 HydrophobicContact CD1-CD2 3.63Å; I406-F409 HydrophobicContact CD1-CE2 3.95Å; I406-F409 WeakPolarHBondContact O-CA 3.28Å; I406-F409 WeakPolarHBondContact O-CB 3.27Å; I406-F409 PolarHBondContact O-N 3.44Å; F407-F409 VanDerWaalsContact C-N 3.35Å; F407-F409 PolarHBondContact O-N 2.63Å; F409-H411 PolarHBondContact O-N 3.32Å; F409-M412 HydrophobicContact CD1-CE 3.45Å; F409-M412 VanDerWaalsContact CD1-CE 3.45Å; F409-M412 HydrophobicContact CE1-CE 4.02Å; F409-M412 PolarHBondContact O-N 2.93Å; F409-H413 WeakPolarHBondContact O-CB 3.38Å; F409-H413 PolarHBondContact O-N 2.72Å; F409-I418 HydrophobicContact CB-CD1 4.14Å; F409-I418 HydrophobicContact CD1-CD1 3.85Å; F409-I418 HydrophobicContact CG-CD1 4.29Å; F409-V420 HydrophobicContact CB-CG2 3.91Å
410	I	97.7	Very high	97.3	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.005	10%	0.1	C	C	.	.	H	α-helix	trans	-60.7	-45.1	174.7	-71.3	169.4	0	0	0	110.7	I119 L133 W137 W374 I406 F407 N408 H413 T414	I119-I410 HydrophobicContact CG2-CG2 3.64Å; L133-I410 HydrophobicContact CD2-CD1 4.43Å; W137-I410 HydrophobicContact CD2-CG1 4.36Å; W137-I410 HydrophobicContact CE3-CB 4.17Å; W137-I410 HydrophobicContact CE3-CD1 4.36Å; W137-I410 HydrophobicContact CE3-CG1 3.78Å; W137-I410 HydrophobicContact CE3-CG2 3.64Å; W137-I410 HydrophobicContact CH2-CG1 4.45Å; W137-I410 HydrophobicContact CZ3-CB 4.06Å; W137-I410 HydrophobicContact CZ3-CG1 3.82Å; W137-I410 HydrophobicContact CZ3-CG2 3.84Å; W374-I410 HydrophobicContact CZ3-CD1 4.26Å; I406-I410 HydrophobicContact CG2-CD1 4.12Å; I406-I410 HydrophobicContact CG2-CG1 4.42Å; I406-I410 WeakPolarHBondContact O-CG1 2.98Å; I406-I410 PolarHBondContact O-N 3.46Å; F407-I410 PolarHBondContact O-N 3.05Å; N408-I410 PolarHBondContact O-N 3.27Å; I410-H413 PolarHBondContact O-N 3.46Å; I410-T414 WeakPolarHBondContact O-CB 3.45Å; I410-T414 PolarHBondContact O-N 3.23Å; I410-T414 PolarHBondContact O-OG1 2.71Å
411	H	97.8	Very high	97.5	Very high	23 Å²	23	19.2 Å²	19.2	11%	0.106	9%	0.094	C	C	.	.	H	α-helix	trans	-63.8	-42	176.2	-84.5	-100.8	0	0	0	112.8	I119 M120 V122 F407 N408 F409 T414 R415	I119-H411 PolarHBondContact O-CE1 3.1Å; I119-H411 VanDerWaalsContact O-CE1 3.32Å; M120-H411 HydrophobicContact SD-CB 4.33Å; M120-H411 PolarHBondContact SD-ND1 3.22Å; V122-H411 PolarHBondContact O-CE1 3.28Å; V122-H411 PolarHBondContact O-NE2 2.95Å; V122-H411 VanDerWaalsContact O-NE2 3.09Å; F407-H411 AromaticContact CE1-CD2 3.89Å; F407-H411 AromaticContact CE1-NE2 3.64Å; F407-H411 AromaticContact CE2-CD2 3.81Å; F407-H411 AromaticContact CE2-NE2 3.37Å; F407-H411 WeakPolarHBondContact CE2-NE2 3.23Å; F407-H411 AromaticContact CZ-CD2 3.7Å; F407-H411 AromaticContact CZ-NE2 3.09Å; F407-H411 WeakPolarHBondContact CZ-NE2 3.33Å; F407-H411 PolarHBondContact O-CD2 2.68Å; F407-H411 VanDerWaalsContact O-CD2 3.23Å; F407-H411 PolarHBondContact O-N 3.16Å; F407-H411 VanDerWaalsContact O-N 3.09Å; N408-H411 PolarHBondContact O-N 3.36Å; F409-H411 PolarHBondContact O-N 3.32Å; H411-T414 WeakPolarHBondContact O-CB 3.1Å; H411-T414 PolarHBondContact O-N 3.01Å; H411-R415 WeakPolarHBondContact O-CG 3.22Å; H411-R415 PolarHBondContact O-N 3.03Å; H411-R415 VanDerWaalsContact O-N 3.1Å
412	M	98.3	Very high	97.5	Very high	4 Å²	4	19.4 Å²	19.4	2%	0.02	9%	0.093	C	C	.	.	H	α-helix	trans	-68.5	-36.9	177.5	-73.4	-172.4	-71.7	0	0	112.3	F155 W341 M362 N408 F409 T414 R415 G416 I417 I418	F155-M412 HydrophobicContact CD1-SD 4.5Å; F155-M412 HydrophobicContact CE1-SD 3.85Å; F155-M412 HydrophobicContact CE2-SD 4.16Å; F155-M412 HydrophobicContact CZ-SD 3.65Å; W341-M412 HydrophobicContact CH2-CE 3.49Å; W341-M412 VanDerWaalsContact CH2-CE 3.49Å; W341-M412 HydrophobicContact CH2-SD 3.89Å; W341-M412 HydrophobicContact CZ3-CE 4Å; M362-M412 HydrophobicContact SD-SD 4.14Å; N408-M412 HydrophobicContact CB-CE 4.4Å; N408-M412 WeakPolarHBondContact O-CE 3.42Å; N408-M412 WeakPolarHBondContact O-CG 3.27Å; N408-M412 PolarHBondContact O-N 3.22Å; F409-M412 HydrophobicContact CD1-CE 3.45Å; F409-M412 VanDerWaalsContact CD1-CE 3.45Å; F409-M412 HydrophobicContact CE1-CE 4.02Å; F409-M412 PolarHBondContact O-N 2.93Å; M412-T414 VanDerWaalsContact C-N 3.34Å; M412-R415 PolarHBondContact O-N 3.35Å; M412-G416 PolarHBondContact O-N 3.1Å; M412-I417 HydrophobicContact CB-CB 4.07Å; M412-I417 HydrophobicContact CB-CD1 4.49Å; M412-I417 HydrophobicContact CB-CG2 4.42Å; M412-I417 HydrophobicContact CG-CB 4.5Å; M412-I417 HydrophobicContact CG-CD1 4.21Å; M412-I417 PolarHBondContact O-N 2.92Å; M412-I417 HydrophobicContact SD-CG2 4.4Å; M412-I418 HydrophobicContact CB-CD1 3.88Å; M412-I418 HydrophobicContact CB-CG1 3.81Å; M412-I418 HydrophobicContact CE-CD1 3.81Å; M412-I418 HydrophobicContact SD-CD1 4.45Å
413	H	98.4	Very high	97.3	Very high	9 Å²	9	19.6 Å²	19.6	4%	0.042	11%	0.105	C	C	.	.	H	α-helix	trans	-59.3	-47.1	171.2	173.4	87.7	0	0	0	112	W137 W145 F409 I410 R415 G416 I418 H419 V420	W137-H413 HydrophobicContact CH2-CB 4.14Å; W137-H413 AromaticContact CH2-CD2 3.42Å; W137-H413 VanDerWaalsContact CH2-CD2 3.42Å; W137-H413 WeakPolarHBondContact CH2-CD2 3.43Å; W137-H413 AromaticContact CH2-CG 3.67Å; W137-H413 AromaticContact CH2-NE2 3.78Å; W137-H413 HydrophobicContact CZ3-CB 4.24Å; W137-H413 AromaticContact CZ3-CD2 3.46Å; W137-H413 VanDerWaalsContact CZ3-CD2 3.46Å; W137-H413 WeakPolarHBondContact CZ3-CD2 3.42Å; W137-H413 AromaticContact CZ3-CG 3.97Å; W145-H413 AromaticContact CD1-CE1 3.13Å; W145-H413 AromaticContact CD1-CG 3.91Å; W145-H413 AromaticContact CD1-ND1 3.23Å; W145-H413 AromaticContact CD1-NE2 3.71Å; W145-H413 AromaticContact CG-CE1 3.7Å; W145-H413 AromaticContact NE1-CE1 3.87Å; W145-H413 AromaticContact NE1-ND1 3.46Å; W145-H413 PolarHBondContact NE1-ND1 3.01Å; W145-H413 PolarHBondContact NE1-O 3.03Å; F409-H413 WeakPolarHBondContact O-CB 3.38Å; F409-H413 PolarHBondContact O-N 2.72Å; I410-H413 PolarHBondContact O-N 3.46Å; H413-R415 PolarHBondContact O-N 3.29Å; H413-G416 PolarHBondContact O-N 3.47Å; H413-I418 WeakPolarHBondContact CA-O 3.41Å; H413-H419 AromaticContact CE1-CD2 3.7Å; H413-H419 AromaticContact ND1-CD2 3.83Å; H413-V420 HydrophobicContact CB-CB 4.27Å; H413-V420 HydrophobicContact CB-CG2 3.94Å; H413-V420 PolarHBondContact ND1-N 2.84Å
414	T	98.1	Very high	97.3	Very high	3 Å²	3	26.1 Å²	26.1	2%	0.018	12%	0.124	C	C	.	.	H	α-helix	trans	-57.9	-34.4	177	-57.5	0	0	0	0	111.8	R116 I119 M120 I410 H411 M412 G416	R116-T414 HydrophobicContact CB-CG2 3.49Å; R116-T414 VanDerWaalsContact CB-CG2 3.49Å; R116-T414 WeakPolarHBondContact CD-O 3.33Å; R116-T414 HydrophobicContact CG-CG2 3.71Å; R116-T414 VanDerWaalsContact O-CG2 3.23Å; R116-T414 WeakPolarHBondContact O-CG2 3.33Å; I119-T414 HydrophobicContact CB-CG2 4.21Å; I119-T414 HydrophobicContact CG2-CG2 4.29Å; I119-T414 WeakPolarHBondContact CG2-OG1 3.46Å; M120-T414 HydrophobicContact CG-CG2 3.66Å; M120-T414 HydrophobicContact SD-CG2 3.87Å; I410-T414 WeakPolarHBondContact O-CB 3.45Å; I410-T414 PolarHBondContact O-N 3.23Å; I410-T414 PolarHBondContact O-OG1 2.71Å; H411-T414 WeakPolarHBondContact O-CB 3.1Å; H411-T414 PolarHBondContact O-N 3.01Å; M412-T414 VanDerWaalsContact C-N 3.34Å; T414-G416 VanDerWaalsContact C-N 3.35Å
415	R	97.7	Very high	97.2	Very high	87 Å²	87	23.9 Å²	23.9	33%	0.328	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-7.1	176.5	-69.2	168.2	66.2	-175.8	4.5	114.4	M120 N148 E151 H411 M412 H413 I417	M120-R415 HydrophobicContact CE-CG 4Å; M120-R415 HydrophobicContact SD-CG 3.98Å; N148-R415 VanDerWaalsContact CB-O 3.23Å; N148-R415 WeakPolarHBondContact CB-O 3.28Å; E151-R415 IonicContact OE2-CZ 3.94Å; E151-R415 IonicContact OE2-NE 4Å; E151-R415 PolarHBondContact OE2-NE 3.04Å; E151-R415 IonicContact OE2-NH2 2.63Å; E151-R415 PolarHBondContact OE2-NH2 3.44Å; H411-R415 WeakPolarHBondContact O-CG 3.22Å; H411-R415 PolarHBondContact O-N 3.03Å; H411-R415 VanDerWaalsContact O-N 3.1Å; M412-R415 PolarHBondContact O-N 3.35Å; H413-R415 PolarHBondContact O-N 3.29Å; R415-I417 HydrophobicContact CB-CD1 3.94Å; R415-I417 HydrophobicContact CB-CG1 3.98Å
416	G	98.1	Very high	96.3	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.1	23.3	-174.1	0	0	0	0	0	113.9	Q147 N148 M412 H413 T414	Q147-G416 WeakPolarHBondContact CA-O 3.12Å; Q147-G416 WeakPolarHBondContact CG-O 3.41Å; N148-G416 PolarHBondContact N-O 2.91Å; M412-G416 PolarHBondContact O-N 3.1Å; H413-G416 PolarHBondContact O-N 3.47Å; T414-G416 VanDerWaalsContact C-N 3.35Å
417	I	98.6	Very high	96.2	Very high	8 Å²	8	34.7 Å²	34.7	4%	0.041	18%	0.18	C	C	.	.	S	Bend	trans	-83.2	-43	179.9	-63.4	171.2	0	0	0	111	E151 F155 M362 M412 R415	E151-I417 HydrophobicContact CB-CD1 4.43Å; E151-I417 HydrophobicContact CB-CG1 3.89Å; F155-I417 HydrophobicContact CB-CD1 4.23Å; F155-I417 HydrophobicContact CB-CG2 4.12Å; F155-I417 HydrophobicContact CD1-CG2 4.28Å; F155-I417 HydrophobicContact CD2-CD1 4.14Å; F155-I417 HydrophobicContact CG-CD1 4.3Å; F155-I417 HydrophobicContact CG-CG2 4.2Å; M362-I417 HydrophobicContact SD-CG2 4.35Å; M412-I417 HydrophobicContact CB-CB 4.07Å; M412-I417 HydrophobicContact CB-CD1 4.49Å; M412-I417 HydrophobicContact CB-CG2 4.42Å; M412-I417 HydrophobicContact CG-CB 4.5Å; M412-I417 HydrophobicContact CG-CD1 4.21Å; M412-I417 PolarHBondContact O-N 2.92Å; M412-I417 HydrophobicContact SD-CG2 4.4Å; R415-I417 HydrophobicContact CB-CD1 3.94Å; R415-I417 HydrophobicContact CB-CG1 3.98Å
418	I	98.5	Very high	96.2	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.187	C	C	.	.	S	Bend	trans	-137.8	154.8	177.3	64.1	-175	0	0	0	110.1	W145 M362 V368 L370 F409 M412 H413 V420	W145-I418 WeakPolarHBondContact CZ2-O 3.35Å; W145-I418 PolarHBondContact NE1-O 3.42Å; M362-I418 HydrophobicContact CG-CG2 3.9Å; M362-I418 HydrophobicContact SD-CG2 3.67Å; V368-I418 HydrophobicContact CB-CG2 4.11Å; V368-I418 HydrophobicContact CG1-CG2 4.38Å; L370-I418 HydrophobicContact CD1-CD1 3.63Å; L370-I418 HydrophobicContact CG-CD1 4.18Å; F409-I418 HydrophobicContact CB-CD1 4.14Å; F409-I418 HydrophobicContact CD1-CD1 3.85Å; F409-I418 HydrophobicContact CG-CD1 4.29Å; M412-I418 HydrophobicContact CB-CD1 3.88Å; M412-I418 HydrophobicContact CB-CG1 3.81Å; M412-I418 HydrophobicContact CE-CD1 3.81Å; M412-I418 HydrophobicContact SD-CD1 4.45Å; H413-I418 WeakPolarHBondContact CA-O 3.41Å; I418-V420 HydrophobicContact CD1-CG2 4.25Å; I418-V420 HydrophobicContact CG1-CG2 4.2Å
419	H	98.4	Very high	96.1	Very high	36 Å²	36	36.7 Å²	36.7	17%	0.167	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	116.6	175.9	-163.8	167.6	0	0	0	110.2	W145 V368 H369 L370 H413 H421	W145-H419 HydrophobicContact CD2-CB 3.78Å; W145-H419 AromaticContact CD2-CD2 3.87Å; W145-H419 AromaticContact CD2-CG 3.51Å; W145-H419 AromaticContact CD2-ND1 3.67Å; W145-H419 HydrophobicContact CE3-CB 3.79Å; W145-H419 AromaticContact CE3-CE1 3.83Å; W145-H419 AromaticContact CE3-CG 3.51Å; W145-H419 AromaticContact CE3-ND1 3.23Å; W145-H419 AromaticContact CG-CD2 3.77Å; W145-H419 AromaticContact CG-CG 3.93Å; W145-H419 AromaticContact CG-NE2 3.9Å; W145-H419 HydrophobicContact CH2-CB 3.78Å; W145-H419 HydrophobicContact CZ2-CB 3.8Å; W145-H419 HydrophobicContact CZ3-CB 3.78Å; W145-H419 AromaticContact CZ3-CG 3.99Å; W145-H419 AromaticContact CZ3-ND1 3.78Å; V368-H419 PolarHBondContact O-N 3.5Å; H369-H419 CarbonylContact C-O 3.39Å; H369-H419 WeakPolarHBondContact CA-O 3.42Å; H369-H419 AromaticContact CE1-ND1 3.47Å; H369-H419 PolarHBondContact CE1-ND1 2.81Å; H369-H419 AromaticContact ND1-ND1 3.79Å; L370-H419 PolarHBondContact N-O 3.31Å; H413-H419 AromaticContact CE1-CD2 3.7Å; H413-H419 AromaticContact ND1-CD2 3.83Å; H419-H421 AromaticContact CD2-NE2 3.62Å; H419-H421 AromaticContact CE1-CE1 3.59Å; H419-H421 AromaticContact CE1-NE2 3.61Å; H419-H421 AromaticContact CG-NE2 3.43Å; H419-H421 AromaticContact ND1-CE1 3.86Å; H419-H421 AromaticContact ND1-NE2 3.42Å; H419-H421 PolarHBondContact ND1-NE2 3.4Å; H419-H421 AromaticContact NE2-CE1 3.74Å; H419-H421 AromaticContact NE2-NE2 3.74Å
420	V	98.4	Very high	96	Very high	2 Å²	2	38.9 Å²	38.9	1%	0.012	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	118.3	178.2	-179.1	0	0	0	0	110.2	W137 L370 F409 H413 I418 T422	W137-V420 HydrophobicContact CH2-CB 3.94Å; W137-V420 HydrophobicContact CH2-CG1 4.24Å; W137-V420 HydrophobicContact CZ2-CB 4.3Å; W137-V420 HydrophobicContact CZ2-CG1 4.21Å; L370-V420 HydrophobicContact CB-CG2 4.31Å; L370-V420 HydrophobicContact CD1-CG2 4.19Å; L370-V420 HydrophobicContact CG-CG2 4.45Å; F409-V420 HydrophobicContact CB-CG2 3.91Å; H413-V420 HydrophobicContact CB-CB 4.27Å; H413-V420 HydrophobicContact CB-CG2 3.94Å; H413-V420 PolarHBondContact ND1-N 2.84Å; I418-V420 HydrophobicContact CD1-CG2 4.25Å; I418-V420 HydrophobicContact CG1-CG2 4.2Å; V420-T422 HydrophobicContact CG1-CG2 4.19Å
421	H	97.5	Very high	95.9	Very high	26 Å²	26	41.3 Å²	41.3	12%	0.12	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	121.2	-180	-67.8	-97.7	0	0	0	110.8	E233 H369 L370 Y371 H419	E233-H421 IonicContact OE1-CE1 3.95Å; H369-H421 AromaticContact CE1-NE2 3.94Å; H369-H421 AromaticContact CG-NE2 3.89Å; H369-H421 AromaticContact ND1-CE1 3.95Å; H369-H421 AromaticContact ND1-NE2 3.1Å; H369-H421 PolarHBondContact ND1-NE2 3.08Å; H369-H421 VanDerWaalsContact ND1-NE2 3.1Å; L370-H421 WeakPolarHBondContact O-CB 3.48Å; L370-H421 PolarHBondContact O-N 2.73Å; Y371-H421 HydrophobicContact CD1-CB 3.51Å; Y371-H421 AromaticContact CD1-CG 3.7Å; Y371-H421 HydrophobicContact CE1-CB 3.7Å; Y371-H421 AromaticContact CE1-CD2 3.5Å; Y371-H421 AromaticContact CE1-CE1 3.98Å; Y371-H421 AromaticContact CE1-CG 3.31Å; Y371-H421 AromaticContact CE1-ND1 3.67Å; Y371-H421 AromaticContact CE1-NE2 3.93Å; Y371-H421 HydrophobicContact CG-CB 4.34Å; Y371-H421 AromaticContact CZ-CD2 3.67Å; Y371-H421 AromaticContact CZ-CG 3.98Å; Y371-H421 AromaticContact CZ-NE2 3.86Å; H419-H421 AromaticContact CD2-NE2 3.62Å; H419-H421 AromaticContact CE1-CE1 3.59Å; H419-H421 AromaticContact CE1-NE2 3.61Å; H419-H421 AromaticContact CG-NE2 3.43Å; H419-H421 AromaticContact ND1-CE1 3.86Å; H419-H421 AromaticContact ND1-NE2 3.42Å; H419-H421 PolarHBondContact ND1-NE2 3.4Å; H419-H421 AromaticContact NE2-CE1 3.74Å; H419-H421 AromaticContact NE2-NE2 3.74Å
422	T	95	Very high	95.7	Very high	17 Å²	17	42.5 Å²	42.5	10%	0.104	22%	0.222	C	C	.	.			trans	-126.6	-2.7	176.1	61	0	0	0	0	113.6	W137 W374 V420	W137-T422 HydrophobicContact CZ2-CG2 3.87Å; W137-T422 PolarHBondContact NE1-OG1 3.15Å; W374-T422 HydrophobicContact CE3-CG2 3.92Å; W374-T422 HydrophobicContact CZ3-CG2 4.14Å; V420-T422 HydrophobicContact CG1-CG2 4.19Å
423	G	91.8	Very high	95.5	Very high	42 Å²	42	45.2 Å²	45.2	43%	0.433	24%	0.237	S	C	.	.	S	Bend	trans	-112.8	-162.6	-178.8	0	0	0	0	0	112.7	S228	S228-G423 WeakPolarHBondContact CB-O 3.33Å
424	R	93.8	Very high	95.3	Very high	185 Å²	185	48 Å²	48	70%	0.698	25%	0.252	S	S	*	.			trans	-81.3	142.7	172.7	-60.2	-179	76.1	146.3	-0.8	109.9	S228	S228-R424 CarbonylContact O-C 3.6Å; S228-R424 WeakPolarHBondContact O-CA 3.35Å
425	C	94.4	Very high	95.1	Very high	17 Å²	17	51.8 Å²	51.8	12%	0.115	27%	0.271	C	S	.	.			trans	-90.6	159.3	168.5	-60.7	0	0	0	0	110.3	S228 C230 E233	S228-C425 PolarHBondContact O-N 3.36Å; C230-C425 VanDerWaalsContact CA-SG 3.54Å; C230-C425 HydrophobicContact CB-CB 3.8Å; C230-C425 WeakPolarHBondContact CB-SG 3.48Å; C230-C425 WeakPolarHBondContact SG-CB 3.27Å; C230-C425 CovalentContact SG-SG 2.03Å; C230-C425 PolarHBondContact SG-SG 2.94Å; E233-C425 PolarHBondContact OE2-SG 3.25Å; E233-C425 VanDerWaalsContact OE2-SG 3.41Å
426	T	78.9	Confident	94.8	Very high	201 Å²	201	48.5 Å²	48.5	100%	1.233	27%	0.266	S	S	*	.			trans	-99.3	0	-177.2	52.9	0	0	0	0	112.5

Retrieved 426 of 426 residues in 838.9 ms (Link to these results)

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