A0A5K4F5G1_SCHMA Loading...

Cellulase domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F5G1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 532 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	41.3	Very low	32	Very low	248 Å²	248	167.7 Å²	167.7	100%	1.222	82%	0.815	S	S	*	*				0	111.2	0	-135.3	166.7	178.4	0	0	107.3
2	R	32.9	Very low	31.6	Very low	239 Å²	239	171.3 Å²	171.3	90%	0.902	81%	0.813	S	S	*	*			trans	-90.1	123.3	178.5	-88.5	-177.4	178	-177.9	-0	109.5
3	L	35.4	Very low	31.9	Very low	163 Å²	163	175.3 Å²	175.3	85%	0.853	83%	0.826	S	S	*	*			trans	-151.3	90.9	158.2	-80.1	167.8	0	0	0	105.4
4	T	31.6	Very low	31.7	Very low	115 Å²	115	167.9 Å²	167.9	71%	0.706	82%	0.82	S	S	*	*				52.7	127.5	83.7	56.4	0	0	0	0	117.8
5	R	34.2	Very low	31.5	Very low	247 Å²	247	168.1 Å²	168.1	93%	0.932	83%	0.826	S	S	*	*			trans	82.6	145.5	161.9	-64.6	179.1	173.2	-178.3	-2.8	118.1
6	S	31.8	Very low	31.8	Very low	97 Å²	97	164.4 Å²	164.4	68%	0.678	82%	0.822	S	S	*	*			cis	173.8	143.4	-25	167	0	0	0	0	105.7
7	S	30.9	Very low	32.1	Very low	96 Å²	96	165.8 Å²	165.8	67%	0.671	82%	0.822	S	S	*	*			trans	54.1	109.9	152.6	55.7	0	0	0	0	118.6
8	K	28	Very low	32.4	Very low	198 Å²	198	165.9 Å²	165.9	86%	0.861	83%	0.826	S	S	*	*				46.4	106.3	81.9	-75.2	-173	174.3	-179.2	0	113.3
9	Q	29.3	Very low	32.7	Very low	165 Å²	165	163.5 Å²	163.5	77%	0.771	82%	0.821	S	S	*	*				166.6	148	99.7	-89.8	-147	-33.9	0	0	112.7
10	L	27.5	Very low	33.2	Very low	128 Å²	128	159.2 Å²	159.2	67%	0.67	81%	0.805	S	S	*	*			trans	78.8	114.5	142.3	-78.4	158.6	0	0	0	120.8
11	E	28.7	Very low	34.1	Very low	149 Å²	149	156.5 Å²	156.5	70%	0.696	80%	0.796	S	S	*	*				131.9	115.4	116.5	-89.6	179.6	-174.8	0	0	118.3
12	R	27.2	Very low	34.5	Very low	210 Å²	210	149.8 Å²	149.8	79%	0.792	77%	0.766	S	S	*	*			trans	52.5	112.3	131	-70.6	178	178.7	-151.3	-0.3	120.2
13	F	36.5	Very low	35.4	Very low	224 Å²	224	142.4 Å²	142.4	98%	0.982	75%	0.747	S	S	*	*				-166	136.5	129	-86.1	-76.2	0	0	0	104.5
14	G	28.8	Very low	36.2	Very low	72 Å²	72	141.1 Å²	141.1	74%	0.742	74%	0.741	S	S	*	*			cis	143.1	129	22.9	0	0	0	0	0	105.8
15	D	28.8	Very low	37.1	Very low	171 Å²	171	139.6 Å²	139.6	91%	0.914	73%	0.728	S	S	*	*			trans	-33.3	139.1	-174.1	-68.6	-56.5	0	0	0	119.6
16	S	36.1	Very low	38	Very low	108 Å²	108	136.7 Å²	136.7	76%	0.755	72%	0.717	S	S	*	*			trans	-163.9	98.3	147.6	167.8	0	0	0	0	113.1
17	K	37.5	Very low	39	Very low	189 Å²	189	137 Å²	137	82%	0.822	71%	0.71	S	S	*	*			trans	58.9	85.5	142.9	-63.5	-177.3	178.9	178.1	0	118.6	T19	K17-T19 PolarHBondContact O-N 3.2Å
18	N	36.2	Very low	40.1	Very low	168 Å²	168	134.7 Å²	134.7	90%	0.898	69%	0.694	S	S	*	*			trans	-51.4	101.9	148.8	-78.8	-30.7	0	0	0	111.1
19	T	39.3	Very low	41	Very low	119 Å²	119	133.2 Å²	133.2	73%	0.73	68%	0.683	S	S	*	*			trans	-97.9	114	153.4	-40.5	0	0	0	0	105.5	K17 V21	K17-T19 PolarHBondContact O-N 3.2Å; T19-V21 PolarHBondContact O-N 3.09Å
20	P	43	Very low	42.1	Very low	77 Å²	77	130 Å²	130	50%	0.5	67%	0.67	S	S	.	*			trans	-72.6	122.2	-164.3	27.5	-32.2	0	0	0	109.9	N22 T23	P20-N22 HydrophobicContact CB-CB 4.38Å; P20-N22 PolarHBondContact O-N 3.47Å; P20-T23 PolarHBondContact O-N 2.87Å; P20-T23 PolarHBondContact O-OG1 3.23Å
21	V	52	Low	43.1	Very low	103 Å²	103	129.5 Å²	129.5	62%	0.624	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-46.6	-18.6	169.2	178.3	0	0	0	0	112.5	T19 T23 L24 L25	T19-V21 PolarHBondContact O-N 3.09Å; V21-T23 VanDerWaalsContact C-N 3.32Å; V21-T23 PolarHBondContact O-N 3.36Å; V21-L24 PolarHBondContact O-N 3.34Å; V21-L25 HydrophobicContact CG1-CD1 3.91Å; V21-L25 PolarHBondContact O-N 3.18Å
22	N	49.4	Very low	44.2	Very low	108 Å²	108	126.9 Å²	126.9	58%	0.578	66%	0.656	S	S	*	*	H	α-helix	trans	-60.4	-27.6	173.5	-85	-14.9	0	0	0	115.6	P20 R26	P20-N22 HydrophobicContact CB-CB 4.38Å; P20-N22 PolarHBondContact O-N 3.47Å; N22-R26 WeakPolarHBondContact O-CB 3.48Å; N22-R26 WeakPolarHBondContact O-CG 3.34Å; N22-R26 PolarHBondContact O-N 2.81Å; N22-R26 VanDerWaalsContact O-N 3.08Å
23	T	52.1	Low	44.9	Very low	84 Å²	84	122.4 Å²	122.4	52%	0.515	65%	0.647	S	S	.	*	H	α-helix	trans	-75.8	-38.4	180	-33	0	0	0	0	111.5	P20 V21 R26 L27	P20-T23 PolarHBondContact O-N 2.87Å; P20-T23 PolarHBondContact O-OG1 3.23Å; V21-T23 VanDerWaalsContact C-N 3.32Å; V21-T23 PolarHBondContact O-N 3.36Å; T23-R26 PolarHBondContact O-N 2.98Å; T23-L27 PolarHBondContact O-N 2.66Å
24	L	50.6	Low	45.1	Very low	136 Å²	136	116.4 Å²	116.4	71%	0.712	63%	0.625	S	S	*	*	H	α-helix	trans	-67.8	-39.3	175.9	-86.6	156.6	0	0	0	111.8	V21 S28	V21-L24 PolarHBondContact O-N 3.34Å; L24-S28 PolarHBondContact O-N 3.18Å; L24-S28 PolarHBondContact O-OG 3.46Å
25	L	52.2	Low	45.7	Very low	83 Å²	83	118.7 Å²	118.7	44%	0.435	62%	0.619	S	S	.	*	H	α-helix	trans	-65.6	-40.6	173.8	-81.2	156.5	0	0	0	112	V21 L27 S28 W29	V21-L25 HydrophobicContact CG1-CD1 3.91Å; V21-L25 PolarHBondContact O-N 3.18Å; L25-L27 VanDerWaalsContact C-N 3.34Å; L25-L27 PolarHBondContact O-N 3.16Å; L25-S28 WeakPolarHBondContact CA-OG 3.46Å; L25-S28 PolarHBondContact O-N 3.13Å; L25-S28 PolarHBondContact O-OG 2.95Å; L25-S28 VanDerWaalsContact O-OG 3.05Å; L25-W29 PolarHBondContact O-N 3.26Å
26	R	52	Low	46.2	Very low	185 Å²	185	119.3 Å²	119.3	70%	0.698	61%	0.614	S	S	*	*	H	α-helix	trans	-65	-36.9	178.1	-78.2	-177.7	179.8	-161.8	0.3	112.9	N22 T23 I30	N22-R26 WeakPolarHBondContact O-CB 3.48Å; N22-R26 WeakPolarHBondContact O-CG 3.34Å; N22-R26 PolarHBondContact O-N 2.81Å; N22-R26 VanDerWaalsContact O-N 3.08Å; T23-R26 PolarHBondContact O-N 2.98Å; R26-I30 WeakPolarHBondContact O-CD1 3.48Å; R26-I30 VanDerWaalsContact O-CG1 3.24Å; R26-I30 WeakPolarHBondContact O-CG1 3.48Å; R26-I30 PolarHBondContact O-N 3.26Å
27	L	53.2	Low	46.4	Very low	103 Å²	103	117 Å²	117	54%	0.539	60%	0.601	S	S	.	*	H	α-helix	trans	-67.9	-39.4	176.7	-81.1	158.6	0	0	0	112.4	T23 L25 I30 M31	T23-L27 PolarHBondContact O-N 2.66Å; L25-L27 VanDerWaalsContact C-N 3.34Å; L25-L27 PolarHBondContact O-N 3.16Å; L27-I30 PolarHBondContact O-N 3.46Å; L27-M31 WeakPolarHBondContact O-CB 3.26Å; L27-M31 PolarHBondContact O-N 3.21Å
28	S	52.9	Low	46.4	Very low	49 Å²	49	115.9 Å²	115.9	34%	0.343	60%	0.597	S	S	.	*	H	α-helix	trans	-70.5	-35.1	176.2	39.5	0	0	0	0	112.7	L24 L25 M31 I32	L24-S28 PolarHBondContact O-N 3.18Å; L24-S28 PolarHBondContact O-OG 3.46Å; L25-S28 WeakPolarHBondContact CA-OG 3.46Å; L25-S28 PolarHBondContact O-N 3.13Å; L25-S28 PolarHBondContact O-OG 2.95Å; L25-S28 VanDerWaalsContact O-OG 3.05Å; S28-M31 PolarHBondContact O-N 3.47Å; S28-I32 WeakPolarHBondContact O-CB 3.48Å; S28-I32 WeakPolarHBondContact O-CD1 2.99Å; S28-I32 WeakPolarHBondContact O-CG1 3.29Å; S28-I32 PolarHBondContact O-N 2.94Å
29	W	47.2	Very low	46.6	Very low	166 Å²	166	117.3 Å²	117.3	63%	0.629	59%	0.591	S	S	*	*	H	α-helix	trans	-66.6	-39.6	172.2	-84.8	94	0	0	0	113	L25 M31 I32 L33	L25-W29 PolarHBondContact O-N 3.26Å; W29-M31 VanDerWaalsContact C-N 3.35Å; W29-I32 PolarHBondContact O-N 3.47Å; W29-L33 WeakPolarHBondContact O-CB 2.96Å; W29-L33 PolarHBondContact O-N 3.48Å
30	I	53	Low	46.6	Very low	97 Å²	97	116.5 Å²	116.5	50%	0.497	59%	0.59	S	S	.	*	H	α-helix	trans	-65.9	-39.1	174.6	-68.3	165.1	0	0	0	110.7	R26 L27 L33 L34	R26-I30 WeakPolarHBondContact O-CD1 3.48Å; R26-I30 VanDerWaalsContact O-CG1 3.24Å; R26-I30 WeakPolarHBondContact O-CG1 3.48Å; R26-I30 PolarHBondContact O-N 3.26Å; L27-I30 PolarHBondContact O-N 3.46Å; I30-L33 PolarHBondContact O-N 2.01Å; I30-L34 HydrophobicContact CG2-CD1 3.66Å; I30-L34 HydrophobicContact CG2-CG 4.36Å; I30-L34 WeakPolarHBondContact O-CB 3.29Å; I30-L34 WeakPolarHBondContact O-CD1 3.22Å; I30-L34 VanDerWaalsContact O-CG 3.25Å; I30-L34 WeakPolarHBondContact O-CG 3.24Å; I30-L34 PolarHBondContact O-N 2.89Å
31	M	48.3	Very low	46.6	Very low	119 Å²	119	118.2 Å²	118.2	59%	0.586	59%	0.592	S	S	*	*	H	α-helix	trans	-67.6	-39.2	177.6	-142	-178.3	-65.2	0	0	112.2	L27 S28 W29 L34 L35	L27-M31 WeakPolarHBondContact O-CB 3.26Å; L27-M31 PolarHBondContact O-N 3.21Å; S28-M31 PolarHBondContact O-N 3.47Å; W29-M31 VanDerWaalsContact C-N 3.35Å; M31-L34 PolarHBondContact O-N 3.18Å; M31-L35 WeakPolarHBondContact O-CB 3.2Å; M31-L35 WeakPolarHBondContact O-CD1 3.38Å; M31-L35 PolarHBondContact O-N 3.39Å
32	I	51	Low	46.5	Very low	94 Å²	94	117.5 Å²	117.5	48%	0.482	60%	0.597	S	S	.	*	H	α-helix	trans	-69.5	-36.5	176.7	-67.8	165	0	0	0	111.6	S28 W29 K36	S28-I32 WeakPolarHBondContact O-CB 3.48Å; S28-I32 WeakPolarHBondContact O-CD1 2.99Å; S28-I32 WeakPolarHBondContact O-CG1 3.29Å; S28-I32 PolarHBondContact O-N 2.94Å; W29-I32 PolarHBondContact O-N 3.47Å; I32-K36 PolarHBondContact O-N 3.03Å
33	L	43.8	Very low	47.6	Very low	116 Å²	116	119.3 Å²	119.3	61%	0.607	60%	0.595	S	S	*	*	H	α-helix	trans	-71.2	-35.2	173.6	-82.4	159.4	0	0	0	112.3	W29 I30 K36 A37	W29-L33 WeakPolarHBondContact O-CB 2.96Å; W29-L33 PolarHBondContact O-N 3.48Å; I30-L33 PolarHBondContact O-N 2.01Å; L33-K36 PolarHBondContact O-N 2.91Å; L33-A37 WeakPolarHBondContact O-CB 3.47Å; L33-A37 PolarHBondContact O-N 3.5Å
34	L	40.4	Very low	49.2	Very low	98 Å²	98	116.6 Å²	116.6	51%	0.513	58%	0.584	S	S	.	*	H	α-helix	trans	-69.8	-34.9	174	-75.7	165	0	0	0	112.5	I30 M31 K36 A37	I30-L34 HydrophobicContact CG2-CD1 3.66Å; I30-L34 HydrophobicContact CG2-CG 4.36Å; I30-L34 WeakPolarHBondContact O-CB 3.29Å; I30-L34 WeakPolarHBondContact O-CD1 3.22Å; I30-L34 VanDerWaalsContact O-CG 3.25Å; I30-L34 WeakPolarHBondContact O-CG 3.24Å; I30-L34 PolarHBondContact O-N 2.89Å; M31-L34 PolarHBondContact O-N 3.18Å; L34-K36 VanDerWaalsContact C-N 3.34Å; L34-K36 PolarHBondContact O-N 3.43Å; L34-A37 PolarHBondContact O-N 3.16Å
35	L	41.6	Very low	51.3	Low	120 Å²	120	111.8 Å²	111.8	63%	0.628	56%	0.557	S	S	*	*	H	α-helix	trans	-69.9	-26.5	175.7	-92.9	146.5	0	0	0	113.4	M31	M31-L35 WeakPolarHBondContact O-CB 3.2Å; M31-L35 WeakPolarHBondContact O-CD1 3.38Å; M31-L35 PolarHBondContact O-N 3.39Å
36	K	37.5	Very low	53.5	Low	183 Å²	183	108 Å²	108	80%	0.796	54%	0.538	S	S	*	.	H	α-helix	trans	-86.9	-12.7	173.4	-73.2	-168.3	175.8	-169.1	0	114.1	I32 L33 L34	I32-K36 PolarHBondContact O-N 3.03Å; L33-K36 PolarHBondContact O-N 2.91Å; L34-K36 VanDerWaalsContact C-N 3.34Å; L34-K36 PolarHBondContact O-N 3.43Å
37	A	41.7	Very low	55.7	Low	60 Å²	60	102 Å²	102	50%	0.496	52%	0.521	S	S	.	.	S	Bend	trans	-95.6	-4.4	-173.5	0	0	0	0	0	115.5	L33 L34	L33-A37 WeakPolarHBondContact O-CB 3.47Å; L33-A37 PolarHBondContact O-N 3.5Å; L34-A37 PolarHBondContact O-N 3.16Å
38	F	36.6	Very low	57.8	Low	165 Å²	165	97.1 Å²	97.1	72%	0.724	50%	0.496	S	S	*	.			trans	-137.4	32.2	-174.3	-74.9	-78.2	0	0	0	116.2
39	Y	41	Very low	59.9	Low	198 Å²	198	97.2 Å²	97.2	78%	0.776	49%	0.493	S	S	*	.			trans	-93.5	47.4	149	-84.8	-86.7	0	0	0	110.1	E41	Y39-E41 PolarHBondContact O-N 2.9Å; Y39-E41 VanDerWaalsContact O-N 3.1Å
40	S	39.9	Very low	61.9	Low	103 Å²	103	92 Å²	92	72%	0.72	48%	0.477	S	S	*	.			trans	-76.1	70.3	142.7	170.8	0	0	0	0	105.6	A42	S40-A42 PolarHBondContact O-N 3.12Å
41	E	43.4	Very low	63.7	Low	113 Å²	113	94.7 Å²	94.7	53%	0.528	49%	0.493	S	S	.	.			trans	-50.8	116.1	157.9	-158.2	167.3	-139.9	0	0	104.3	Y39 R43	Y39-E41 PolarHBondContact O-N 2.9Å; Y39-E41 VanDerWaalsContact O-N 3.1Å; E41-R43 VanDerWaalsContact C-N 3.32Å; E41-R43 PolarHBondContact O-N 3.45Å
42	A	49.6	Very low	65.8	Low	88 Å²	88	91.8 Å²	91.8	73%	0.727	48%	0.482	S	S	*	.			trans	-56.5	105.2	-178.9	0	0	0	0	0	105.8	S40 G44	S40-A42 PolarHBondContact O-N 3.12Å; A42-G44 PolarHBondContact O-N 3.48Å
43	R	71.6	Confident	68	Low	145 Å²	145	87.8 Å²	87.8	55%	0.547	46%	0.464	S	S	.	.			trans	-56.8	111.4	-177.1	-79.9	-177.6	174.2	164.8	-4	106.5	E41 Y228	E41-R43 VanDerWaalsContact C-N 3.32Å; E41-R43 PolarHBondContact O-N 3.45Å; R43-Y228 HydrophobicContact CB-CD2 3.93Å; R43-Y228 HydrophobicContact CB-CG 4.14Å
44	G	86.3	Confident	70.5	Confident	27 Å²	27	84.5 Å²	84.5	28%	0.278	44%	0.444	S	S	.	.	P	Polyproline II helix	trans	-64.7	162.5	176.4	0	0	0	0	0	109.8	A42 S58	A42-G44 PolarHBondContact O-N 3.48Å; G44-S58 PolarHBondContact N-OG 2.95Å
45	K	95.1	Very high	73.3	Confident	36 Å²	36	80.2 Å²	80.2	16%	0.157	42%	0.421	C	S	.	.	P	Polyproline II helix	trans	-63.2	144.8	173.9	-68.2	-72.3	-173.1	161.9	0	109.8	G225 K227 V230 D277 T278	K45-G225 WeakPolarHBondContact CE-O 3.37Å; K45-G225 PolarHBondContact NZ-O 2.79Å; K45-K227 PolarHBondContact NZ-O 2.87Å; K45-V230 PolarHBondContact NZ-O 2.89Å; K45-D277 HydrophobicContact CB-CB 4.19Å; K45-D277 HydrophobicContact CG-CB 3.91Å; K45-T278 VanDerWaalsContact CE-OG1 3.29Å; K45-T278 WeakPolarHBondContact CE-OG1 3.35Å; K45-T278 PolarHBondContact NZ-OG1 2.9Å
46	V	97.7	Very high	76	Confident	4 Å²	4	75.5 Å²	75.5	2%	0.024	40%	0.397	C	S	.	.	P	Polyproline II helix	trans	-65.4	136	167.3	175	0	0	0	0	108.3	F55 V56 F65 Y136 L231 L279	V46-F55 HydrophobicContact CG1-CB 3.83Å; V46-F55 HydrophobicContact CG1-CD1 4.02Å; V46-F55 HydrophobicContact CG1-CG 4.43Å; V46-V56 CarbonylContact C-O 3.57Å; V46-V56 WeakPolarHBondContact CA-O 3.21Å; V46-F65 HydrophobicContact CG1-CE2 4.47Å; V46-F65 HydrophobicContact CG1-CZ 4.34Å; V46-F65 HydrophobicContact CG2-CZ 4.27Å; V46-Y136 HydrophobicContact CG2-CE1 3.86Å; V46-L231 HydrophobicContact CB-CD1 3.78Å; V46-L231 HydrophobicContact CG1-CD1 3.87Å; V46-L231 HydrophobicContact CG2-CD1 4.12Å; V46-L279 HydrophobicContact CG1-CD1 4.35Å; V46-L279 WeakPolarHBondContact O-CD2 3.24Å
47	T	97.7	Very high	78.7	Confident	57 Å²	57	68.2 Å²	68.2	35%	0.35	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	176	176.8	60.9	0	0	0	0	109.9	F55 V56	T47-F55 CarbonylContact O-C 3.58Å; T47-F55 WeakPolarHBondContact O-CA 3.28Å; T47-V56 PolarHBondContact N-O 3.06Å; T47-V56 PolarHBondContact O-N 3.21Å; T47-V56 PolarHBondContact OG1-O 2.85Å
48	I	98.3	Very high	81.1	Confident	2 Å²	2	68.4 Å²	68.4	1%	0.01	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	132.5	170.6	-55.6	-57.1	0	0	0	109.6	D50 Y54 F55 L279 K316 V319	I48-D50 PolarHBondContact O-N 3.05Å; I48-Y54 CarbonylContact C-O 3.5Å; I48-Y54 WeakPolarHBondContact CA-O 3.43Å; I48-F55 HydrophobicContact CD1-CD1 3.44Å; I48-F55 VanDerWaalsContact CD1-CD1 3.44Å; I48-F55 HydrophobicContact CD1-CE1 3.61Å; I48-F55 HydrophobicContact CD1-CG 3.97Å; I48-F55 HydrophobicContact CD1-CZ 4.24Å; I48-L279 HydrophobicContact CD1-CD1 4.22Å; I48-L279 HydrophobicContact CD1-CD2 4.45Å; I48-L279 HydrophobicContact CG1-CD2 4.06Å; I48-K316 PolarHBondContact N-O 2.92Å; I48-K316 WeakPolarHBondContact O-CA 3.28Å; I48-K316 WeakPolarHBondContact O-CB 3.21Å; I48-K316 WeakPolarHBondContact O-CG 3.29Å; I48-V319 HydrophobicContact CD1-CG2 3.91Å; I48-V319 HydrophobicContact CG1-CG2 4.2Å
49	D	95.5	Very high	83.7	Confident	50 Å²	50	64.9 Å²	64.9	27%	0.267	35%	0.353	S	S	.	.			trans	-70.7	116.2	165.3	-178.9	-100.6	0	0	0	109.7	D51 T52 G53 Y54 V56	D49-D51 VanDerWaalsContact C-N 3.25Å; D49-D51 PolarHBondContact O-N 3.21Å; D49-D51 PolarHBondContact OD1-N 2.95Å; D49-T52 WeakPolarHBondContact CB-OG1 3.41Å; D49-T52 PolarHBondContact O-N 3.42Å; D49-T52 VanDerWaalsContact OD1-CB 3.3Å; D49-T52 WeakPolarHBondContact OD1-CB 3.24Å; D49-T52 WeakPolarHBondContact OD1-CG2 3.06Å; D49-T52 PolarHBondContact OD1-N 2.89Å; D49-T52 PolarHBondContact OD1-OG1 3.35Å; D49-G53 VanDerWaalsContact O-CA 3.28Å; D49-G53 WeakPolarHBondContact O-CA 3.45Å; D49-G53 PolarHBondContact O-N 2.79Å; D49-Y54 PolarHBondContact N-O 2.98Å; D49-V56 HydrophobicContact CB-CG2 3.81Å
50	D	89.7	Confident	86.2	Confident	56 Å²	56	57.4 Å²	57.4	30%	0.299	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-26.3	-170.8	-162.7	21.9	0	0	0	113	I48 R315 K316	I48-D50 PolarHBondContact O-N 3.05Å; D50-R315 WeakPolarHBondContact OD1-CB 3.31Å; D50-R315 VanDerWaalsContact OD1-CD 3.32Å; D50-R315 WeakPolarHBondContact OD1-CD 3.38Å; D50-K316 HydrophobicContact CB-CG 3.99Å
51	D	90.6	Very high	88.9	Confident	155 Å²	155	54 Å²	54	83%	0.829	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-37.4	-178.6	-68	-34	0	0	0	112	D49	D49-D51 VanDerWaalsContact C-N 3.25Å; D49-D51 PolarHBondContact O-N 3.21Å; D49-D51 PolarHBondContact OD1-N 2.95Å
52	T	93.2	Very high	91.5	Very high	58 Å²	58	48.8 Å²	48.8	36%	0.356	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.8	-22.8	-172.5	62.7	0	0	0	0	114.2	D49 Y54	D49-T52 WeakPolarHBondContact CB-OG1 3.41Å; D49-T52 PolarHBondContact O-N 3.42Å; D49-T52 VanDerWaalsContact OD1-CB 3.3Å; D49-T52 WeakPolarHBondContact OD1-CB 3.24Å; D49-T52 WeakPolarHBondContact OD1-CG2 3.06Å; D49-T52 PolarHBondContact OD1-N 2.89Å; D49-T52 PolarHBondContact OD1-OG1 3.35Å; T52-Y54 VanDerWaalsContact C-N 3.28Å; T52-Y54 HydrophobicContact CG2-CD2 4.16Å; T52-Y54 HydrophobicContact CG2-CE2 4.28Å; T52-Y54 WeakPolarHBondContact OG1-CD2 3.3Å; T52-Y54 PolarHBondContact OG1-N 3.33Å
53	G	96.3	Very high	93.8	Very high	10 Å²	10	45.6 Å²	45.6	10%	0.103	25%	0.254	C	S	.	.			trans	75.3	13	-173	0	0	0	0	0	114.1	D49 G367 G368	D49-G53 VanDerWaalsContact O-CA 3.28Å; D49-G53 WeakPolarHBondContact O-CA 3.45Å; D49-G53 PolarHBondContact O-N 2.79Å; G53-G367 VanDerWaalsContact CA-O 3.24Å; G53-G367 WeakPolarHBondContact CA-O 3.22Å; G53-G368 WeakPolarHBondContact O-CA 3.11Å
54	Y	97.6	Very high	95.1	Very high	47 Å²	47	38.8 Å²	38.8	18%	0.184	23%	0.228	C	C	.	.			trans	-80.7	149.3	178.1	-66.2	-47.3	0	0	0	112.2	I48 D49 T52 I62 F402 P439	I48-Y54 CarbonylContact C-O 3.5Å; I48-Y54 WeakPolarHBondContact CA-O 3.43Å; D49-Y54 PolarHBondContact N-O 2.98Å; T52-Y54 VanDerWaalsContact C-N 3.28Å; T52-Y54 HydrophobicContact CG2-CD2 4.16Å; T52-Y54 HydrophobicContact CG2-CE2 4.28Å; T52-Y54 WeakPolarHBondContact OG1-CD2 3.3Å; T52-Y54 PolarHBondContact OG1-N 3.33Å; Y54-I62 HydrophobicContact CD2-CD1 3.56Å; Y54-I62 HydrophobicContact CD2-CG1 4.4Å; Y54-I62 HydrophobicContact CE2-CD1 4.34Å; Y54-I62 HydrophobicContact CG-CD1 4.11Å; Y54-I62 HydrophobicContact CG-CG1 4.49Å; Y54-I62 HydrophobicContact CG-CG2 4.18Å; Y54-F402 AromaticContact CD1-CD1 3.98Å; Y54-F402 HydrophobicContact CD1-CD1 3.98Å; Y54-F402 HydrophobicContact CD1-CE1 4.47Å; Y54-F402 HydrophobicContact CE1-CB 4.3Å; Y54-F402 AromaticContact CE1-CD1 3.68Å; Y54-F402 HydrophobicContact CE1-CD1 3.68Å; Y54-F402 HydrophobicContact CE1-CG 4.35Å; Y54-P439 HydrophobicContact CE2-CG 4.39Å
55	F	98.5	Very high	95.7	Very high	7 Å²	7	37.5 Å²	37.5	3%	0.031	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	132.5	169.6	-61.5	-90.5	0	0	0	109.8	V46 T47 I48 I62 K63 F65 L231 L279 F281 V319 R369 F370	V46-F55 HydrophobicContact CG1-CB 3.83Å; V46-F55 HydrophobicContact CG1-CD1 4.02Å; V46-F55 HydrophobicContact CG1-CG 4.43Å; T47-F55 CarbonylContact O-C 3.58Å; T47-F55 WeakPolarHBondContact O-CA 3.28Å; I48-F55 HydrophobicContact CD1-CD1 3.44Å; I48-F55 VanDerWaalsContact CD1-CD1 3.44Å; I48-F55 HydrophobicContact CD1-CE1 3.61Å; I48-F55 HydrophobicContact CD1-CG 3.97Å; I48-F55 HydrophobicContact CD1-CZ 4.24Å; F55-I62 CarbonylContact O-C 2.86Å; F55-I62 VanDerWaalsContact O-CA 3.26Å; F55-I62 WeakPolarHBondContact O-CA 3.41Å; F55-K63 HydrophobicContact CB-CB 4.07Å; F55-K63 PolarHBondContact O-N 2.84Å; F55-F65 HydrophobicContact CB-CD2 4.43Å; F55-F65 HydrophobicContact CB-CE2 3.67Å; F55-F65 HydrophobicContact CD1-CD2 4.39Å; F55-F65 AromaticContact CD1-CE2 3.84Å; F55-F65 HydrophobicContact CD1-CE2 3.84Å; F55-F65 HydrophobicContact CD2-CD2 4.14Å; F55-F65 HydrophobicContact CD2-CE2 4.15Å; F55-F65 HydrophobicContact CG-CD2 4.07Å; F55-F65 AromaticContact CG-CE2 3.62Å; F55-F65 HydrophobicContact CG-CE2 3.62Å; F55-L231 HydrophobicContact CD1-CD1 4.46Å; F55-L279 HydrophobicContact CD1-CD1 3.8Å; F55-L279 HydrophobicContact CE1-CD1 3.74Å; F55-F281 HydrophobicContact CE1-CZ 4.21Å; F55-F281 HydrophobicContact CZ-CZ 4.49Å; F55-V319 HydrophobicContact CE1-CG1 4.36Å; F55-V319 HydrophobicContact CE1-CG2 3.72Å; F55-V319 HydrophobicContact CZ-CG1 3.86Å; F55-V319 HydrophobicContact CZ-CG2 4.04Å; F55-R369 WeakPolarHBondContact CE2-O 3.44Å; F55-F370 HydrophobicContact CE1-CD2 4.44Å; F55-F370 HydrophobicContact CE2-CD2 4.08Å; F55-F370 HydrophobicContact CZ-CB 4.28Å; F55-F370 AromaticContact CZ-CD2 3.67Å; F55-F370 HydrophobicContact CZ-CD2 3.67Å; F55-F370 HydrophobicContact CZ-CG 4.46Å
56	V	97.6	Very high	95.8	Very high	21 Å²	21	35.9 Å²	35.9	13%	0.127	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	128.8	-177.2	-176.2	0	0	0	0	110	V46 T47 D49 G60 F61 I62	V46-V56 CarbonylContact C-O 3.57Å; V46-V56 WeakPolarHBondContact CA-O 3.21Å; T47-V56 PolarHBondContact N-O 3.06Å; T47-V56 PolarHBondContact O-N 3.21Å; T47-V56 PolarHBondContact OG1-O 2.85Å; D49-V56 HydrophobicContact CB-CG2 3.81Å; V56-G60 VanDerWaalsContact CG1-CA 3.47Å; V56-F61 WeakPolarHBondContact CA-O 3Å; V56-I62 HydrophobicContact CG2-CG1 4.15Å
57	D	95.7	Very high	95.7	Very high	30 Å²	30	35.7 Å²	35.7	16%	0.16	21%	0.206	C	C	.	.			trans	-78.5	178.1	174.4	72.6	16.5	0	0	0	112.9	N59 G60 F61 K63	D57-N59 PolarHBondContact O-N 3.38Å; D57-N59 VanDerWaalsContact O-N 3.09Å; D57-N59 WeakPolarHBondContact OD1-CA 3.2Å; D57-N59 WeakPolarHBondContact OD1-CB 3.25Å; D57-N59 PolarHBondContact OD1-N 3.23Å; D57-G60 PolarHBondContact O-N 2.94Å; D57-G60 PolarHBondContact OD1-N 3.13Å; D57-G60 VanDerWaalsContact OD1-N 3.13Å; D57-F61 PolarHBondContact N-O 2.95Å; D57-F61 PolarHBondContact OD1-N 3.06Å; D57-K63 HydrophobicContact CB-CD 4.2Å; D57-K63 HydrophobicContact CB-CG 4.16Å
58	S	91.9	Very high	95.6	Very high	64 Å²	64	33.1 Å²	33.1	45%	0.448	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-17.1	-178.8	56.5	0	0	0	0	114.6	G44	G44-S58 PolarHBondContact N-OG 2.95Å
59	N	91	Very high	95.4	Very high	92 Å²	92	33 Å²	33	49%	0.492	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	1.1	-179.8	-64.2	-15.8	0	0	0	112	D57 F61	D57-N59 PolarHBondContact O-N 3.38Å; D57-N59 VanDerWaalsContact O-N 3.09Å; D57-N59 WeakPolarHBondContact OD1-CA 3.2Å; D57-N59 WeakPolarHBondContact OD1-CB 3.25Å; D57-N59 PolarHBondContact OD1-N 3.23Å; N59-F61 HydrophobicContact CB-CD2 4.08Å; N59-F61 HydrophobicContact CB-CE2 4.45Å
60	G	92.8	Very high	95.4	Very high	40 Å²	40	30.7 Å²	30.7	41%	0.412	18%	0.178	S	C	.	.	S	Bend	trans	84.4	11	-179.7	0	0	0	0	0	114.1	V56 D57	V56-G60 VanDerWaalsContact CG1-CA 3.47Å; D57-G60 PolarHBondContact O-N 2.94Å; D57-G60 PolarHBondContact OD1-N 3.13Å; D57-G60 VanDerWaalsContact OD1-N 3.13Å
61	F	96.3	Very high	95.5	Very high	31 Å²	31	28.4 Å²	28.4	14%	0.136	17%	0.166	C	C	.	.			trans	-82.5	132.9	177.4	-77.6	-126.1	0	0	0	109.8	V56 D57 N59 K63 T435 A436 L470	V56-F61 WeakPolarHBondContact CA-O 3Å; D57-F61 PolarHBondContact N-O 2.95Å; D57-F61 PolarHBondContact OD1-N 3.06Å; N59-F61 HydrophobicContact CB-CD2 4.08Å; N59-F61 HydrophobicContact CB-CE2 4.45Å; F61-K63 PolarHBondContact O-N 2.84Å; F61-T435 CarbonylContact C-O 3.58Å; F61-T435 WeakPolarHBondContact CA-O 3.34Å; F61-A436 HydrophobicContact CD1-CB 4.11Å; F61-A436 HydrophobicContact CD2-CB 4.24Å; F61-A436 HydrophobicContact CE1-CB 3.78Å; F61-A436 HydrophobicContact CE2-CB 3.89Å; F61-A436 HydrophobicContact CG-CB 4.35Å; F61-A436 HydrophobicContact CZ-CB 3.66Å; F61-L470 HydrophobicContact CE1-CD2 4.08Å; F61-L470 HydrophobicContact CE1-CG 4.04Å; F61-L470 HydrophobicContact CZ-CB 4.36Å; F61-L470 HydrophobicContact CZ-CD2 4.21Å; F61-L470 HydrophobicContact CZ-CG 4.2Å; F61-L470 WeakPolarHBondContact CZ-O 3.38Å
62	I	98.2	Very high	95.6	Very high	4 Å²	4	22 Å²	22	2%	0.021	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	130	170.2	-74.1	171	0	0	0	109.1	Y54 F55 V56 F402 S434 T435 G437 P439	Y54-I62 HydrophobicContact CD2-CD1 3.56Å; Y54-I62 HydrophobicContact CD2-CG1 4.4Å; Y54-I62 HydrophobicContact CE2-CD1 4.34Å; Y54-I62 HydrophobicContact CG-CD1 4.11Å; Y54-I62 HydrophobicContact CG-CG1 4.49Å; Y54-I62 HydrophobicContact CG-CG2 4.18Å; F55-I62 CarbonylContact O-C 2.86Å; F55-I62 VanDerWaalsContact O-CA 3.26Å; F55-I62 WeakPolarHBondContact O-CA 3.41Å; V56-I62 HydrophobicContact CG2-CG1 4.15Å; I62-F402 HydrophobicContact CG2-CE1 3.57Å; I62-F402 HydrophobicContact CG2-CZ 4.08Å; I62-S434 CarbonylContact O-C 3.42Å; I62-S434 VanDerWaalsContact O-CA 3.28Å; I62-S434 WeakPolarHBondContact O-CA 3.4Å; I62-T435 PolarHBondContact N-O 3.16Å; I62-T435 PolarHBondContact O-N 2.73Å; I62-G437 WeakPolarHBondContact CD1-O 3.29Å; I62-P439 HydrophobicContact CG2-CG 4.17Å
63	K	98.3	Very high	95.4	Very high	22 Å²	22	21.7 Å²	21.7	10%	0.096	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	137.9	-179.2	-58.2	-63.4	-63.6	-179.1	0	110.3	F55 D57 F61 F65 Q433 S434	F55-K63 HydrophobicContact CB-CB 4.07Å; F55-K63 PolarHBondContact O-N 2.84Å; D57-K63 HydrophobicContact CB-CD 4.2Å; D57-K63 HydrophobicContact CB-CG 4.16Å; F61-K63 PolarHBondContact O-N 2.84Å; K63-F65 HydrophobicContact CB-CD2 4.48Å; K63-F65 HydrophobicContact CB-CE1 4.41Å; K63-F65 HydrophobicContact CB-CE2 3.72Å; K63-F65 HydrophobicContact CB-CZ 3.67Å; K63-F65 HydrophobicContact CG-CZ 4.26Å; K63-Q433 VanDerWaalsContact CE-O 3.3Å; K63-Q433 WeakPolarHBondContact CE-O 3.44Å; K63-Q433 PolarHBondContact NZ-O 2.85Å; K63-S434 PolarHBondContact NZ-OG 2.64Å
64	L	98.7	Very high	95.1	Very high	2 Å²	2	25.6 Å²	25.6	1%	0.01	15%	0.147	C	C	.	.			trans	-117.9	129.2	168.6	-171.8	62.6	0	0	0	108.5	N97 F402 Y431 P432 Q433 L442	L64-N97 PolarHBondContact O-ND2 2.81Å; L64-F402 HydrophobicContact CB-CE1 4.09Å; L64-F402 HydrophobicContact CB-CZ 4Å; L64-F402 HydrophobicContact CD1-CD1 4.04Å; L64-F402 HydrophobicContact CD1-CE1 4.1Å; L64-F402 HydrophobicContact CD1-CG 4.4Å; L64-F402 HydrophobicContact CD2-CD2 4.25Å; L64-F402 HydrophobicContact CD2-CE2 4.02Å; L64-F402 HydrophobicContact CD2-CZ 4.17Å; L64-F402 HydrophobicContact CG-CE1 4.48Å; L64-F402 HydrophobicContact CG-CZ 4.48Å; L64-Y431 HydrophobicContact CB-CD2 4.41Å; L64-Y431 HydrophobicContact CD2-CD2 4.02Å; L64-Y431 HydrophobicContact CG-CD2 4.33Å; L64-P432 WeakPolarHBondContact CB-O 3.15Å; L64-Q433 PolarHBondContact N-O 3.5Å; L64-L442 HydrophobicContact CD2-CD2 3.73Å
65	F	98.8	Very high	94.9	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.175	C	C	.	.			trans	-113	125.2	-175	-58.3	-83	0	0	0	112.1	V46 F55 K63 N97 V98 Y136 L231 F370 S404 W405	V46-F65 HydrophobicContact CG1-CE2 4.47Å; V46-F65 HydrophobicContact CG1-CZ 4.34Å; V46-F65 HydrophobicContact CG2-CZ 4.27Å; F55-F65 HydrophobicContact CB-CD2 4.43Å; F55-F65 HydrophobicContact CB-CE2 3.67Å; F55-F65 HydrophobicContact CD1-CD2 4.39Å; F55-F65 AromaticContact CD1-CE2 3.84Å; F55-F65 HydrophobicContact CD1-CE2 3.84Å; F55-F65 HydrophobicContact CD2-CD2 4.14Å; F55-F65 HydrophobicContact CD2-CE2 4.15Å; F55-F65 HydrophobicContact CG-CD2 4.07Å; F55-F65 AromaticContact CG-CE2 3.62Å; F55-F65 HydrophobicContact CG-CE2 3.62Å; K63-F65 HydrophobicContact CB-CD2 4.48Å; K63-F65 HydrophobicContact CB-CE1 4.41Å; K63-F65 HydrophobicContact CB-CE2 3.72Å; K63-F65 HydrophobicContact CB-CZ 3.67Å; K63-F65 HydrophobicContact CG-CZ 4.26Å; F65-N97 WeakPolarHBondContact CA-OD1 3.24Å; F65-V98 HydrophobicContact CB-CB 4.11Å; F65-V98 HydrophobicContact CB-CG1 3.73Å; F65-V98 HydrophobicContact CD1-CB 4.22Å; F65-Y136 HydrophobicContact CD1-CD2 4.34Å; F65-Y136 AromaticContact CE1-CD2 3.64Å; F65-Y136 HydrophobicContact CE1-CD2 3.64Å; F65-Y136 AromaticContact CE1-CE2 3.96Å; F65-Y136 HydrophobicContact CE1-CE2 3.96Å; F65-Y136 AromaticContact CE1-CG 3.95Å; F65-Y136 HydrophobicContact CE1-CG 3.95Å; F65-L231 HydrophobicContact CD1-CD2 4.37Å; F65-L231 HydrophobicContact CD2-CD2 4.12Å; F65-L231 HydrophobicContact CE1-CD1 4.45Å; F65-L231 HydrophobicContact CE1-CD2 4.31Å; F65-L231 HydrophobicContact CE2-CD1 4.01Å; F65-L231 HydrophobicContact CE2-CD2 4.05Å; F65-L231 HydrophobicContact CG-CD2 4.28Å; F65-L231 HydrophobicContact CZ-CD1 3.78Å; F65-L231 HydrophobicContact CZ-CD2 4.15Å; F65-F370 HydrophobicContact CB-CE2 3.78Å; F65-F370 HydrophobicContact CB-CZ 4.09Å; F65-F370 HydrophobicContact CD2-CE2 4.28Å; F65-F370 HydrophobicContact CG-CE2 4.34Å; F65-S404 PolarHBondContact N-OG 2.9Å; F65-S404 CarbonylContact O-C 3.54Å; F65-S404 WeakPolarHBondContact O-CA 3.35Å; F65-S404 VanDerWaalsContact O-CB 3.22Å; F65-S404 WeakPolarHBondContact O-CB 3.35Å; F65-W405 PolarHBondContact O-N 3.24Å
66	H	97.8	Very high	94.7	Very high	1 Å²	1	34 Å²	34	1%	0.005	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	129.3	175.5	-67.7	179.8	0	0	0	108.4	I96 N97 V98 W405 Y431	H66-I96 WeakPolarHBondContact O-CA 3.46Å; H66-N97 PolarHBondContact N-OD1 2.83Å; H66-N97 PolarHBondContact O-N 3.43Å; H66-N97 PolarHBondContact O-OD1 2.99Å; H66-V98 PolarHBondContact O-N 2.58Å; H66-W405 CarbonylContact C-O 3.5Å; H66-W405 HydrophobicContact CB-CD2 4.34Å; H66-W405 HydrophobicContact CB-CH2 3.88Å; H66-W405 HydrophobicContact CB-CZ2 3.51Å; H66-W405 HydrophobicContact CB-CZ3 4.42Å; H66-W405 AromaticContact CD2-CD1 3.51Å; H66-W405 AromaticContact CD2-CE2 3.48Å; H66-W405 VanDerWaalsContact CD2-CE2 3.48Å; H66-W405 AromaticContact CD2-CZ2 3.97Å; H66-W405 AromaticContact CD2-NE1 2.97Å; H66-W405 PolarHBondContact CD2-NE1 2.91Å; H66-W405 AromaticContact CE1-NE1 3.57Å; H66-W405 AromaticContact CG-CE2 3.44Å; H66-W405 VanDerWaalsContact CG-CE2 3.44Å; H66-W405 AromaticContact CG-CZ2 3.43Å; H66-W405 VanDerWaalsContact CG-CZ2 3.43Å; H66-W405 AromaticContact CG-NE1 3.42Å; H66-W405 AromaticContact ND1-CE2 3.86Å; H66-W405 AromaticContact ND1-CZ2 3.58Å; H66-W405 AromaticContact ND1-NE1 3.75Å; H66-W405 AromaticContact NE2-CD1 3.77Å; H66-W405 AromaticContact NE2-CE2 3.94Å; H66-W405 AromaticContact NE2-NE1 3.1Å; H66-W405 PolarHBondContact NE2-NE1 3.42Å; H66-W405 VanDerWaalsContact NE2-NE1 3.1Å; H66-Y431 HydrophobicContact CB-CE1 4.25Å; H66-Y431 HydrophobicContact CB-CE2 4.4Å; H66-Y431 AromaticContact CE1-CD1 3.7Å; H66-Y431 AromaticContact CE1-CD2 3.55Å; H66-Y431 AromaticContact CE1-CG 3.35Å; H66-Y431 AromaticContact CG-CE2 3.88Å; H66-Y431 AromaticContact CG-CZ 3.79Å; H66-Y431 AromaticContact ND1-CD1 3.31Å; H66-Y431 VanDerWaalsContact ND1-CD1 3.31Å; H66-Y431 WeakPolarHBondContact ND1-CD1 3.21Å; H66-Y431 AromaticContact ND1-CD2 3.64Å; H66-Y431 AromaticContact ND1-CE1 3.39Å; H66-Y431 WeakPolarHBondContact ND1-CE1 3.29Å; H66-Y431 AromaticContact ND1-CE2 3.71Å; H66-Y431 AromaticContact ND1-CG 3.44Å; H66-Y431 AromaticContact ND1-CZ 3.58Å
67	G	96	Very high	94.6	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	-173.4	-165.2	0	0	0	0	0	116.8	V98 W405 T406 Y407	G67-V98 WeakPolarHBondContact CA-O 3.48Å; G67-W405 PolarHBondContact N-O 3.15Å; G67-W405 WeakPolarHBondContact O-CZ3 3.46Å; G67-T406 WeakPolarHBondContact O-CA 3.46Å; G67-Y407 PolarHBondContact O-N 3.17Å
68	I	94.6	Very high	94.5	Very high	3 Å²	3	34.5 Å²	34.5	2%	0.015	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	151.7	-180	60.7	173.4	0	0	0	110.6	L91 I96 V98 I99 R100 L413 F414	I68-L91 HydrophobicContact CD1-CD1 4.37Å; I68-L91 HydrophobicContact CD1-CD2 3.84Å; I68-I96 HydrophobicContact CG2-CD1 4.07Å; I68-V98 PolarHBondContact N-O 3.5Å; I68-I99 HydrophobicContact CG1-CG1 4.2Å; I68-I99 WeakPolarHBondContact O-CA 3.34Å; I68-R100 PolarHBondContact O-N 2.7Å; I68-L413 HydrophobicContact CB-CD1 4.41Å; I68-L413 HydrophobicContact CG2-CD1 3.4Å; I68-L413 VanDerWaalsContact CG2-CD1 3.4Å; I68-F414 HydrophobicContact CD1-CE1 4.49Å; I68-F414 HydrophobicContact CD1-CE2 3.76Å; I68-F414 HydrophobicContact CD1-CZ 3.61Å
69	N	95.1	Very high	94.5	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	136.8	167.9	-74.8	-86.1	0	0	0	110.2	R100 T372 T406 Y407 W408 G410	N69-R100 CarbonylContact C-O 3.53Å; N69-R100 WeakPolarHBondContact CA-O 3.25Å; N69-R100 WeakPolarHBondContact OD1-CB 3.45Å; N69-R100 VanDerWaalsContact OD1-CD 3.25Å; N69-R100 WeakPolarHBondContact OD1-CD 3.45Å; N69-R100 WeakPolarHBondContact OD1-CG 3.34Å; N69-R100 PolarHBondContact OD1-NH1 2.9Å; N69-T372 PolarHBondContact ND2-O 3.12Å; N69-T406 PolarHBondContact ND2-O 3.05Å; N69-Y407 PolarHBondContact N-O 2.82Å; N69-Y407 PolarHBondContact ND2-O 2.81Å; N69-Y407 VanDerWaalsContact ND2-O 3.08Å; N69-W408 HydrophobicContact CB-CE3 3.67Å; N69-W408 HydrophobicContact CB-CZ3 4.04Å; N69-G410 WeakPolarHBondContact O-CA 3.39Å; N69-G410 PolarHBondContact O-N 3.38Å
70	C	94.1	Very high	94.6	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.007	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	83.6	177.8	-71.8	0	0	0	0	108.5	P79 L82 I99 R100 L101 E102 F414	C70-P79 HydrophobicContact CB-CG 4.14Å; C70-L82 HydrophobicContact CB-CD1 4.17Å; C70-I99 HydrophobicContact CB-CG2 3.6Å; C70-I99 WeakPolarHBondContact SG-CG2 3.46Å; C70-R100 PolarHBondContact N-O 2.62Å; C70-L101 HydrophobicContact CB-CD1 3.95Å; C70-E102 PolarHBondContact O-N 3.35Å; C70-E102 VanDerWaalsContact O-N 3.12Å; C70-F414 VanDerWaalsContact SG-CE2 3.53Å
71	V	92.5	Very high	94.4	Very high	8 Å²	8	33.5 Å²	33.5	5%	0.048	17%	0.167	C	C	.	.			trans	-120.1	129	-176.9	-178.7	0	0	0	0	107.9	K73 E102 H142 W408	V71-K73 HydrophobicContact CG1-CG 3.9Å; V71-E102 HydrophobicContact CB-CB 4.23Å; V71-E102 HydrophobicContact CG1-CB 4.05Å; V71-E102 HydrophobicContact CG1-CG 4.3Å; V71-E102 WeakPolarHBondContact CG1-OE2 3.48Å; V71-E102 HydrophobicContact CG2-CB 4.1Å; V71-H142 HydrophobicContact CG1-CB 4.23Å; V71-W408 HydrophobicContact CB-CH2 3.94Å; V71-W408 HydrophobicContact CB-CZ3 4.13Å; V71-W408 HydrophobicContact CG1-CH2 4.16Å; V71-W408 HydrophobicContact CG2-CH2 4.02Å; V71-W408 HydrophobicContact CG2-CZ3 3.7Å
72	L	91.7	Very high	94.3	Very high	21 Å²	21	32 Å²	32	11%	0.11	16%	0.161	C	C	.	.			trans	-131.9	98.3	177.2	-177.4	61.4	0	0	0	109.1	V74 F77 Y78 E102 Y411	L72-V74 HydrophobicContact CD1-CG2 3.8Å; L72-V74 HydrophobicContact CG-CG2 4.2Å; L72-V74 WeakPolarHBondContact CG-O 3.39Å; L72-V74 PolarHBondContact O-N 3.41Å; L72-F77 WeakPolarHBondContact O-CA 3.38Å; L72-Y78 VanDerWaalsContact CD2-O 3.26Å; L72-Y78 WeakPolarHBondContact CD2-O 3.44Å; L72-E102 PolarHBondContact N-OE2 3.26Å; L72-Y411 HydrophobicContact CB-CE2 4.18Å; L72-Y411 HydrophobicContact CD1-CE2 3.71Å; L72-Y411 WeakPolarHBondContact CD1-OH 3.4Å; L72-Y411 HydrophobicContact CD2-CE2 4.47Å; L72-Y411 WeakPolarHBondContact CD2-OH 3.32Å; L72-Y411 HydrophobicContact CG-CE2 4.31Å
73	K	90	Very high	94.1	Very high	52 Å²	52	34.8 Å²	34.8	23%	0.226	18%	0.175	C	C	.	.			trans	-77	12.4	-170.6	-51.9	173.3	-176.9	165.4	0	114.4	V71 D144 I153	V71-K73 HydrophobicContact CG1-CG 3.9Å; K73-D144 WeakPolarHBondContact CE-OD2 3.47Å; K73-D144 IonicContact NZ-OD2 3.36Å; K73-D144 PolarHBondContact NZ-OD2 3.05Å; K73-I153 HydrophobicContact CB-CG2 3.91Å; K73-I153 HydrophobicContact CD-CD1 3.95Å
74	V	90.8	Very high	93.9	Very high	91 Å²	91	37.7 Å²	37.7	55%	0.552	19%	0.192	S	C	*	.	S	Bend	trans	-139.8	161.2	-179.3	-64.8	0	0	0	0	110	L72 F77	L72-V74 HydrophobicContact CD1-CG2 3.8Å; L72-V74 HydrophobicContact CG-CG2 4.2Å; L72-V74 WeakPolarHBondContact CG-O 3.39Å; L72-V74 PolarHBondContact O-N 3.41Å; V74-F77 WeakPolarHBondContact O-CA 3.32Å; V74-F77 PolarHBondContact O-N 3.29Å
75	K	92.9	Very high	93.7	Very high	179 Å²	179	39.5 Å²	39.5	78%	0.778	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51	134	176	-73.4	-174.6	178.8	-173.3	0	110.7	F77	K75-F77 HydrophobicContact CB-CE2 4.33Å; K75-F77 HydrophobicContact CG-CD2 4.05Å; K75-F77 HydrophobicContact CG-CE2 3.45Å; K75-F77 VanDerWaalsContact CG-CE2 3.45Å; K75-F77 HydrophobicContact CG-CZ 4.07Å
76	P	94.7	Very high	93.3	Very high	51 Å²	51	44 Å²	44	33%	0.331	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	cis	-91.8	13.2	12.6	38.1	-38.3	0	0	0	115.6	Y78 P80	P76-Y78 VanDerWaalsContact C-N 3.28Å; P76-Y78 HydrophobicContact CB-CD1 4.11Å; P76-Y78 HydrophobicContact CB-CE1 3.52Å; P76-Y78 HydrophobicContact CG-CD1 4.28Å; P76-Y78 HydrophobicContact CG-CE1 3.92Å; P76-Y78 HydrophobicContact CG-CE2 4.26Å; P76-Y78 WeakPolarHBondContact O-CD1 3.1Å; P76-Y78 VanDerWaalsContact O-CE1 3.25Å; P76-Y78 WeakPolarHBondContact O-CE1 3.33Å; P76-Y78 PolarHBondContact O-N 3.41Å; P76-P80 HydrophobicContact CG-CG 3.95Å
77	F	94.7	Very high	92.9	Very high	27 Å²	27	44.7 Å²	44.7	12%	0.118	23%	0.229	C	C	.	.	S	Bend	trans	66.3	23.5	178.9	-52.3	-77.7	0	0	0	115.9	L72 V74 K75 I106 A107 Y119	L72-F77 WeakPolarHBondContact O-CA 3.38Å; V74-F77 WeakPolarHBondContact O-CA 3.32Å; V74-F77 PolarHBondContact O-N 3.29Å; K75-F77 HydrophobicContact CB-CE2 4.33Å; K75-F77 HydrophobicContact CG-CD2 4.05Å; K75-F77 HydrophobicContact CG-CE2 3.45Å; K75-F77 VanDerWaalsContact CG-CE2 3.45Å; K75-F77 HydrophobicContact CG-CZ 4.07Å; F77-I106 HydrophobicContact CE2-CG2 4.41Å; F77-I106 HydrophobicContact CZ-CG2 4.1Å; F77-A107 HydrophobicContact CB-CB 3.87Å; F77-A107 HydrophobicContact CD2-CB 3.72Å; F77-A107 HydrophobicContact CG-CB 4.02Å; F77-Y119 HydrophobicContact CB-CE2 4.21Å; F77-Y119 PolarHBondContact O-OH 2.74Å
78	Y	93.9	Very high	92.7	Very high	36 Å²	36	44.7 Å²	44.7	14%	0.141	23%	0.229	C	C	.	.	S	Bend	trans	-157.2	148.7	167.7	59.3	-86.9	0	0	0	107.5	L72 P76 P80 L83 Y119 I122 I126	L72-Y78 VanDerWaalsContact CD2-O 3.26Å; L72-Y78 WeakPolarHBondContact CD2-O 3.44Å; P76-Y78 VanDerWaalsContact C-N 3.28Å; P76-Y78 HydrophobicContact CB-CD1 4.11Å; P76-Y78 HydrophobicContact CB-CE1 3.52Å; P76-Y78 HydrophobicContact CG-CD1 4.28Å; P76-Y78 HydrophobicContact CG-CE1 3.92Å; P76-Y78 HydrophobicContact CG-CE2 4.26Å; P76-Y78 WeakPolarHBondContact O-CD1 3.1Å; P76-Y78 VanDerWaalsContact O-CE1 3.25Å; P76-Y78 WeakPolarHBondContact O-CE1 3.33Å; P76-Y78 PolarHBondContact O-N 3.41Å; Y78-P80 HydrophobicContact CE2-CG 4.46Å; Y78-P80 WeakPolarHBondContact O-CD 3.38Å; Y78-L83 HydrophobicContact CE2-CD1 3.7Å; Y78-L83 HydrophobicContact CE2-CG 4.21Å; Y78-Y119 HydrophobicContact CD1-CD2 4.31Å; Y78-Y119 HydrophobicContact CD1-CE2 4Å; Y78-I122 HydrophobicContact CD1-CG2 3.67Å; Y78-I122 HydrophobicContact CD2-CG2 3.82Å; Y78-I122 HydrophobicContact CE1-CD1 3.93Å; Y78-I122 HydrophobicContact CE1-CG2 3.57Å; Y78-I122 HydrophobicContact CE2-CG2 3.72Å; Y78-I122 HydrophobicContact CG-CG2 3.8Å; Y78-I126 HydrophobicContact CD2-CD1 4.01Å; Y78-I126 HydrophobicContact CG-CD1 4.23Å
79	P	91.6	Very high	92.5	Very high	4 Å²	4	48.3 Å²	48.3	3%	0.026	25%	0.245	C	C	.	.			trans	-70.6	115.8	174.4	-14.7	28.3	0	0	0	110.3	C70 K81 L82 Y411	C70-P79 HydrophobicContact CB-CG 4.14Å; P79-K81 PolarHBondContact O-N 3.12Å; P79-L82 HydrophobicContact CB-CD1 4.24Å; P79-L82 HydrophobicContact CB-CG 4.18Å; P79-L82 HydrophobicContact CG-CD1 3.95Å; P79-L82 HydrophobicContact CG-CG 4.43Å; P79-L82 WeakPolarHBondContact O-CB 3.3Å; P79-L82 PolarHBondContact O-N 3.42Å; P79-Y411 HydrophobicContact CB-CE2 4.17Å; P79-Y411 HydrophobicContact CG-CE2 4.2Å
80	P	92.4	Very high	92.1	Very high	68 Å²	68	50 Å²	50	44%	0.442	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-60.5	-25.7	-174.4	-27.2	37.5	0	0	0	114.3	P76 Y78 L82 L83	P76-P80 HydrophobicContact CG-CG 3.95Å; Y78-P80 HydrophobicContact CE2-CG 4.46Å; Y78-P80 WeakPolarHBondContact O-CD 3.38Å; P80-L82 PolarHBondContact O-N 2.81Å; P80-L83 WeakPolarHBondContact O-CB 3.43Å; P80-L83 PolarHBondContact O-N 2.86Å; P80-L83 VanDerWaalsContact O-N 3.07Å
81	K	89.9	Confident	92	Very high	103 Å²	103	50 Å²	50	45%	0.448	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-58.5	-26.6	175.2	-69.3	-174.5	177.7	-172.9	0	113	P79 L83 D84 T87 F414	P79-K81 PolarHBondContact O-N 3.12Å; K81-L83 PolarHBondContact O-N 2.8Å; K81-D84 PolarHBondContact O-N 2.91Å; K81-T87 WeakPolarHBondContact O-CB 3.49Å; K81-T87 PolarHBondContact O-OG1 3.38Å; K81-F414 HydrophobicContact CD-CB 4.37Å; K81-F414 HydrophobicContact CD-CD1 4.41Å; K81-F414 PolarHBondContact NZ-O 3.47Å
82	L	92.9	Very high	91.9	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-74.3	-10.1	178.6	-59.7	-179	0	0	0	113.4	C70 P79 P80 D84 T87 F88 I99 L101 I126 N129 F414	C70-L82 HydrophobicContact CB-CD1 4.17Å; P79-L82 HydrophobicContact CB-CD1 4.24Å; P79-L82 HydrophobicContact CB-CG 4.18Å; P79-L82 HydrophobicContact CG-CD1 3.95Å; P79-L82 HydrophobicContact CG-CG 4.43Å; P79-L82 WeakPolarHBondContact O-CB 3.3Å; P79-L82 PolarHBondContact O-N 3.42Å; P80-L82 PolarHBondContact O-N 2.81Å; L82-D84 VanDerWaalsContact C-N 3.28Å; L82-T87 HydrophobicContact CD2-CG2 3.94Å; L82-F88 HydrophobicContact CB-CE2 4.31Å; L82-F88 HydrophobicContact CB-CZ 4.17Å; L82-F88 HydrophobicContact CD2-CE1 4.25Å; L82-F88 HydrophobicContact CD2-CE2 4.36Å; L82-F88 HydrophobicContact CD2-CZ 3.9Å; L82-F88 HydrophobicContact CG-CZ 4.5Å; L82-F88 VanDerWaalsContact O-CE2 3.32Å; L82-F88 WeakPolarHBondContact O-CE2 3.13Å; L82-I99 HydrophobicContact CD2-CD1 4.3Å; L82-L101 HydrophobicContact CD1-CD1 4.06Å; L82-I126 HydrophobicContact CB-CB 4.46Å; L82-I126 HydrophobicContact CB-CD1 3.98Å; L82-I126 HydrophobicContact CB-CG1 3.82Å; L82-I126 HydrophobicContact CB-CG2 3.93Å; L82-I126 HydrophobicContact CD1-CG2 4.03Å; L82-N129 PolarHBondContact O-ND2 3.25Å; L82-N129 VanDerWaalsContact O-ND2 3.15Å; L82-F414 HydrophobicContact CD2-CE1 4.24Å; L82-F414 HydrophobicContact CD2-CZ 3.78Å
83	L	95.7	Very high	91.8	Very high	61 Å²	61	52.8 Å²	52.8	32%	0.319	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-74.9	-21.1	170.9	-70.9	175	0	0	0	112.7	Y78 P80 K81 I122 K125 I126 N129	Y78-L83 HydrophobicContact CE2-CD1 3.7Å; Y78-L83 HydrophobicContact CE2-CG 4.21Å; P80-L83 WeakPolarHBondContact O-CB 3.43Å; P80-L83 PolarHBondContact O-N 2.86Å; P80-L83 VanDerWaalsContact O-N 3.07Å; K81-L83 PolarHBondContact O-N 2.8Å; L83-I122 HydrophobicContact CD2-CG2 4.19Å; L83-K125 HydrophobicContact CD2-CB 4.16Å; L83-K125 HydrophobicContact CD2-CG 3.89Å; L83-I126 HydrophobicContact CD2-CG1 4.11Å; L83-N129 VanDerWaalsContact C-ND2 3.28Å; L83-N129 PolarHBondContact O-ND2 2.99Å
84	D	93.6	Very high	91.8	Very high	84 Å²	84	51.1 Å²	51.1	45%	0.449	26%	0.259	S	S	.	.	S	Bend	trans	-84.5	119.6	170	-176.7	2	0	0	0	110	K81 L82 H86 T87	K81-D84 PolarHBondContact O-N 2.91Å; L82-D84 VanDerWaalsContact C-N 3.28Å; D84-H86 PolarHBondContact O-N 2.86Å; D84-H86 VanDerWaalsContact OD1-CB 3.31Å; D84-H86 WeakPolarHBondContact OD1-CB 3.37Å; D84-H86 PolarHBondContact OD1-N 3.43Å; D84-T87 WeakPolarHBondContact O-CB 3.38Å; D84-T87 PolarHBondContact O-N 3.41Å; D84-T87 VanDerWaalsContact O-N 3.15Å; D84-T87 PolarHBondContact O-OG1 2.99Å
85	S	93.2	Very high	91.9	Very high	40 Å²	40	46.9 Å²	46.9	28%	0.28	23%	0.233	S	C	.	.	H	α-helix	trans	-62.3	-26.4	177.7	65.3	0	0	0	0	112.1	T87 F88 K89 Y133	S85-T87 PolarHBondContact O-N 3.08Å; S85-F88 PolarHBondContact O-N 2.98Å; S85-F88 VanDerWaalsContact O-N 3.14Å; S85-K89 PolarHBondContact O-N 3.05Å; S85-Y133 WeakPolarHBondContact O-CE2 3.24Å
86	H	91	Very high	92	Very high	95 Å²	95	38.8 Å²	38.8	44%	0.44	20%	0.199	S	C	.	.	H	α-helix	trans	-60.9	-31.5	176.7	-174.1	74.3	0	0	0	112.8	D84 F88 K89 V90	D84-H86 PolarHBondContact O-N 2.86Å; D84-H86 VanDerWaalsContact OD1-CB 3.31Å; D84-H86 WeakPolarHBondContact OD1-CB 3.37Å; D84-H86 PolarHBondContact OD1-N 3.43Å; H86-F88 PolarHBondContact O-N 3.19Å; H86-K89 VanDerWaalsContact O-CB 3.25Å; H86-K89 WeakPolarHBondContact O-CB 3.32Å; H86-K89 PolarHBondContact O-N 2.98Å; H86-V90 PolarHBondContact O-N 3.03Å; H86-V90 VanDerWaalsContact O-N 3.12Å
87	T	90.5	Very high	92.1	Very high	14 Å²	14	36.8 Å²	36.8	9%	0.086	19%	0.185	C	C	.	.	H	α-helix	trans	-55	-41.6	175.2	-60.4	0	0	0	0	111.4	K81 L82 D84 S85 V90 L91 F414	K81-T87 WeakPolarHBondContact O-CB 3.49Å; K81-T87 PolarHBondContact O-OG1 3.38Å; L82-T87 HydrophobicContact CD2-CG2 3.94Å; D84-T87 WeakPolarHBondContact O-CB 3.38Å; D84-T87 PolarHBondContact O-N 3.41Å; D84-T87 VanDerWaalsContact O-N 3.15Å; D84-T87 PolarHBondContact O-OG1 2.99Å; S85-T87 PolarHBondContact O-N 3.08Å; T87-V90 PolarHBondContact O-N 3.02Å; T87-L91 HydrophobicContact CG2-CD1 4.33Å; T87-L91 WeakPolarHBondContact O-CG 3.2Å; T87-L91 PolarHBondContact O-N 2.9Å; T87-F414 HydrophobicContact CG2-CD1 4.4Å; T87-F414 HydrophobicContact CG2-CE1 3.65Å; T87-F414 HydrophobicContact CG2-CZ 4.5Å
88	F	91.4	Very high	92.2	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-73.6	-27.8	179.2	-66.7	-80.8	0	0	0	113.3	L82 S85 H86 V90 L91 R92 I99 I126 N129 A130 Y133 V135	L82-F88 HydrophobicContact CB-CE2 4.31Å; L82-F88 HydrophobicContact CB-CZ 4.17Å; L82-F88 HydrophobicContact CD2-CE1 4.25Å; L82-F88 HydrophobicContact CD2-CE2 4.36Å; L82-F88 HydrophobicContact CD2-CZ 3.9Å; L82-F88 HydrophobicContact CG-CZ 4.5Å; L82-F88 VanDerWaalsContact O-CE2 3.32Å; L82-F88 WeakPolarHBondContact O-CE2 3.13Å; S85-F88 PolarHBondContact O-N 2.98Å; S85-F88 VanDerWaalsContact O-N 3.14Å; H86-F88 PolarHBondContact O-N 3.19Å; F88-V90 VanDerWaalsContact C-N 3.33Å; F88-L91 HydrophobicContact CD1-CD1 4.26Å; F88-R92 VanDerWaalsContact O-CB 3.22Å; F88-R92 WeakPolarHBondContact O-CB 3.2Å; F88-R92 PolarHBondContact O-N 3.45Å; F88-I99 HydrophobicContact CD1-CD1 4.21Å; F88-I99 HydrophobicContact CE1-CD1 3.56Å; F88-I99 HydrophobicContact CZ-CD1 4.46Å; F88-I126 HydrophobicContact CZ-CG2 4.11Å; F88-I126 WeakPolarHBondContact CZ-O 3.47Å; F88-N129 HydrophobicContact CD2-CB 3.65Å; F88-N129 HydrophobicContact CE2-CB 3.44Å; F88-N129 VanDerWaalsContact CE2-CB 3.44Å; F88-N129 HydrophobicContact CZ-CB 4.42Å; F88-A130 VanDerWaalsContact CD1-CA 3.49Å; F88-A130 HydrophobicContact CD1-CB 3.72Å; F88-A130 HydrophobicContact CE1-CB 3.31Å; F88-A130 HydrophobicContact CE2-CB 4.44Å; F88-A130 HydrophobicContact CG-CB 4.4Å; F88-A130 HydrophobicContact CZ-CB 3.72Å; F88-Y133 HydrophobicContact CB-CD2 3.48Å; F88-Y133 VanDerWaalsContact CB-CD2 3.48Å; F88-Y133 HydrophobicContact CB-CE2 4.21Å; F88-Y133 HydrophobicContact CB-CG 3.98Å; F88-V135 HydrophobicContact CD1-CB 4.19Å; F88-V135 HydrophobicContact CD1-CG1 4.2Å; F88-V135 HydrophobicContact CD1-CG2 4.31Å; F88-V135 HydrophobicContact CE1-CG1 4.43Å
89	K	89.8	Confident	92.4	Very high	80 Å²	80	33.8 Å²	33.8	35%	0.348	17%	0.173	S	C	.	.	H	α-helix	trans	-59.9	-47.8	168.4	-168.2	-162.7	168	-157.3	0	110.3	S85 H86 R92 D93 Y133	S85-K89 PolarHBondContact O-N 3.05Å; H86-K89 VanDerWaalsContact O-CB 3.25Å; H86-K89 WeakPolarHBondContact O-CB 3.32Å; H86-K89 PolarHBondContact O-N 2.98Å; K89-R92 PolarHBondContact O-N 2.99Å; K89-D93 WeakPolarHBondContact O-CB 3.37Å; K89-D93 PolarHBondContact O-N 3.5Å; K89-Y133 HydrophobicContact CB-CD1 3.87Å; K89-Y133 HydrophobicContact CB-CE1 3.46Å; K89-Y133 VanDerWaalsContact CB-CE1 3.46Å; K89-Y133 HydrophobicContact CG-CD1 4.19Å; K89-Y133 HydrophobicContact CG-CE1 3.76Å
90	V	88	Confident	92.7	Very high	34 Å²	34	33.6 Å²	33.6	21%	0.206	17%	0.172	C	C	.	.	H	α-helix	trans	-62	-48.4	179.3	175.8	0	0	0	0	110.8	H86 T87 F88 R92 D93 W94	H86-V90 PolarHBondContact O-N 3.03Å; H86-V90 VanDerWaalsContact O-N 3.12Å; T87-V90 PolarHBondContact O-N 3.02Å; F88-V90 VanDerWaalsContact C-N 3.33Å; V90-R92 VanDerWaalsContact C-N 3.34Å; V90-R92 PolarHBondContact O-N 3.46Å; V90-D93 PolarHBondContact O-N 2.93Å; V90-D93 VanDerWaalsContact O-N 3.1Å; V90-W94 HydrophobicContact CG1-CD2 4.08Å; V90-W94 HydrophobicContact CG1-CZ2 3.89Å; V90-W94 VanDerWaalsContact O-CG 3.27Å; V90-W94 PolarHBondContact O-N 3.39Å
91	L	90.6	Very high	92.9	Very high	2 Å²	2	30.5 Å²	30.5	1%	0.01	15%	0.151	C	C	.	.	H	α-helix	trans	-57.9	-45.9	176.6	-69.2	176.9	0	0	0	111.8	I68 T87 F88 D93 W94 G95 I96 I99 F414	I68-L91 HydrophobicContact CD1-CD1 4.37Å; I68-L91 HydrophobicContact CD1-CD2 3.84Å; T87-L91 HydrophobicContact CG2-CD1 4.33Å; T87-L91 WeakPolarHBondContact O-CG 3.2Å; T87-L91 PolarHBondContact O-N 2.9Å; F88-L91 HydrophobicContact CD1-CD1 4.26Å; L91-D93 VanDerWaalsContact C-N 3.32Å; L91-D93 PolarHBondContact O-N 3.41Å; L91-W94 HydrophobicContact CD2-CE3 4.09Å; L91-W94 HydrophobicContact CD2-CZ3 4.44Å; L91-W94 CarbonylContact O-C 3.51Å; L91-W94 WeakPolarHBondContact O-CA 3.5Å; L91-W94 WeakPolarHBondContact O-CB 3.48Å; L91-W94 PolarHBondContact O-N 3.45Å; L91-W94 VanDerWaalsContact O-N 3.09Å; L91-G95 PolarHBondContact O-N 2.89Å; L91-I96 HydrophobicContact CB-CB 4Å; L91-I96 HydrophobicContact CB-CG2 4.18Å; L91-I96 HydrophobicContact CD2-CG1 4.34Å; L91-I96 VanDerWaalsContact O-CB 3.3Å; L91-I96 WeakPolarHBondContact O-CB 3.33Å; L91-I96 PolarHBondContact O-N 3.09Å; L91-I99 HydrophobicContact CD1-CD1 3.72Å; L91-F414 HydrophobicContact CD1-CE1 4.25Å; L91-F414 HydrophobicContact CD1-CZ 4.16Å; L91-F414 HydrophobicContact CD2-CE1 4.26Å; L91-F414 HydrophobicContact CD2-CZ 4.47Å
92	R	90.7	Very high	93.2	Very high	47 Å²	47	26 Å²	26	18%	0.177	13%	0.131	C	C	.	.	H	α-helix	trans	-59.4	-42.8	174.2	179	-155	67.7	176.2	4.4	111.7	F88 K89 V90 W94 G95	F88-R92 VanDerWaalsContact O-CB 3.22Å; F88-R92 WeakPolarHBondContact O-CB 3.2Å; F88-R92 PolarHBondContact O-N 3.45Å; K89-R92 PolarHBondContact O-N 2.99Å; V90-R92 VanDerWaalsContact C-N 3.34Å; V90-R92 PolarHBondContact O-N 3.46Å; R92-W94 PolarHBondContact O-N 2.96Å; R92-G95 PolarHBondContact O-N 3.33Å
93	D	89.8	Confident	93.5	Very high	40 Å²	40	26 Å²	26	21%	0.214	13%	0.132	C	C	.	.	H	α-helix	trans	-67	-19.4	179.5	-66	-8.7	0	0	0	111.9	K89 V90 L91 F475 N505	K89-D93 WeakPolarHBondContact O-CB 3.37Å; K89-D93 PolarHBondContact O-N 3.5Å; V90-D93 PolarHBondContact O-N 2.93Å; V90-D93 VanDerWaalsContact O-N 3.1Å; L91-D93 VanDerWaalsContact C-N 3.32Å; L91-D93 PolarHBondContact O-N 3.41Å; D93-F475 WeakPolarHBondContact O-CZ 3.45Å; D93-N505 PolarHBondContact O-ND2 2.76Å
94	W	89.7	Confident	93.6	Very high	18 Å²	18	23.2 Å²	23.2	7%	0.068	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-2.7	170.7	-62.8	-8.5	0	0	0	114.2	V90 L91 R92 I96 L417 L424 S428	V90-W94 HydrophobicContact CG1-CD2 4.08Å; V90-W94 HydrophobicContact CG1-CZ2 3.89Å; V90-W94 VanDerWaalsContact O-CG 3.27Å; V90-W94 PolarHBondContact O-N 3.39Å; L91-W94 HydrophobicContact CD2-CE3 4.09Å; L91-W94 HydrophobicContact CD2-CZ3 4.44Å; L91-W94 CarbonylContact O-C 3.51Å; L91-W94 WeakPolarHBondContact O-CA 3.5Å; L91-W94 WeakPolarHBondContact O-CB 3.48Å; L91-W94 PolarHBondContact O-N 3.45Å; L91-W94 VanDerWaalsContact O-N 3.09Å; R92-W94 PolarHBondContact O-N 2.96Å; W94-I96 HydrophobicContact CB-CG1 4.48Å; W94-L417 HydrophobicContact CE3-CD2 4.31Å; W94-L417 HydrophobicContact CH2-CB 3.98Å; W94-L417 HydrophobicContact CH2-CD2 3.05Å; W94-L417 HydrophobicContact CH2-CG 4.04Å; W94-L417 HydrophobicContact CZ2-CB 4.26Å; W94-L417 HydrophobicContact CZ2-CD2 3.95Å; W94-L417 HydrophobicContact CZ3-CD2 3.22Å; W94-L424 HydrophobicContact CB-CD1 4.02Å; W94-L424 HydrophobicContact CD2-CD1 3.63Å; W94-L424 HydrophobicContact CD2-CD2 4.03Å; W94-L424 HydrophobicContact CE3-CD1 3.81Å; W94-L424 HydrophobicContact CG-CD1 3.77Å; W94-L424 HydrophobicContact CG-CD2 4.04Å; W94-L424 HydrophobicContact CH2-CD1 4.42Å; W94-L424 HydrophobicContact CZ2-CD1 4.45Å; W94-L424 HydrophobicContact CZ2-CD2 3.99Å; W94-L424 HydrophobicContact CZ3-CD1 4.2Å; W94-S428 VanDerWaalsContact C-OG 3.31Å; W94-S428 WeakPolarHBondContact O-CA 3.44Å; W94-S428 WeakPolarHBondContact O-CB 3.3Å; W94-S428 PolarHBondContact O-OG 3.27Å
95	G	93.7	Very high	93.8	Very high	2 Å²	2	19.2 Å²	19.2	2%	0.021	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.1	9	-179.6	0	0	0	0	0	113.6	L91 R92 N97 Y431 F475	L91-G95 PolarHBondContact O-N 2.89Å; R92-G95 PolarHBondContact O-N 3.33Å; G95-N97 PolarHBondContact O-N 2.91Å; G95-Y431 WeakPolarHBondContact O-CE1 3.46Å; G95-Y431 PolarHBondContact O-OH 3.42Å; G95-F475 VanDerWaalsContact CA-CE2 3.45Å; G95-F475 VanDerWaalsContact N-CE2 3.34Å
96	I	94.1	Very high	94	Very high	9 Å²	9	19 Å²	19	5%	0.046	9%	0.091	C	C	.	.			trans	-75.5	122.6	171.9	-59.9	-57.3	0	0	0	108.9	H66 I68 L91 W94 V98	H66-I96 WeakPolarHBondContact O-CA 3.46Å; I68-I96 HydrophobicContact CG2-CD1 4.07Å; L91-I96 HydrophobicContact CB-CB 4Å; L91-I96 HydrophobicContact CB-CG2 4.18Å; L91-I96 HydrophobicContact CD2-CG1 4.34Å; L91-I96 VanDerWaalsContact O-CB 3.3Å; L91-I96 WeakPolarHBondContact O-CB 3.33Å; L91-I96 PolarHBondContact O-N 3.09Å; W94-I96 HydrophobicContact CB-CG1 4.48Å; I96-V98 WeakPolarHBondContact CG2-O 3.44Å
97	N	96.7	Very high	94.4	Very high	9 Å²	9	15.2 Å²	15.2	5%	0.048	8%	0.076	C	C	.	.			trans	-124.1	3.1	179.4	70.5	0.2	0	0	0	113.2	L64 F65 H66 G95 V135 Y136 Y431	L64-N97 PolarHBondContact O-ND2 2.81Å; F65-N97 WeakPolarHBondContact CA-OD1 3.24Å; H66-N97 PolarHBondContact N-OD1 2.83Å; H66-N97 PolarHBondContact O-N 3.43Å; H66-N97 PolarHBondContact O-OD1 2.99Å; G95-N97 PolarHBondContact O-N 2.91Å; N97-V135 WeakPolarHBondContact O-CA 3.44Å; N97-Y136 PolarHBondContact O-N 3.17Å; N97-Y431 PolarHBondContact ND2-OH 3.46Å
98	V	98.2	Very high	94.8	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	148.6	173.2	69.2	0	0	0	0	111.4	F65 H66 G67 I68 I96 Y136 I138 L231 F370 T406	F65-V98 HydrophobicContact CB-CB 4.11Å; F65-V98 HydrophobicContact CB-CG1 3.73Å; F65-V98 HydrophobicContact CD1-CB 4.22Å; H66-V98 PolarHBondContact O-N 2.58Å; G67-V98 WeakPolarHBondContact CA-O 3.48Å; I68-V98 PolarHBondContact N-O 3.5Å; I96-V98 WeakPolarHBondContact CG2-O 3.44Å; V98-Y136 CarbonylContact C-O 3.55Å; V98-Y136 VanDerWaalsContact CA-O 3.24Å; V98-Y136 WeakPolarHBondContact CA-O 3.26Å; V98-I138 HydrophobicContact CG2-CD1 4Å; V98-I138 HydrophobicContact CG2-CG1 4Å; V98-L231 HydrophobicContact CG2-CD2 4.03Å; V98-F370 HydrophobicContact CG1-CZ 3.96Å; V98-T406 HydrophobicContact CG1-CG2 3.86Å
99	I	96.6	Very high	95.1	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	132.8	169.4	-63.4	-178.1	0	0	0	108.6	I68 C70 L82 F88 L91 L101 V135 Y136 I137 I138	I68-I99 HydrophobicContact CG1-CG1 4.2Å; I68-I99 WeakPolarHBondContact O-CA 3.34Å; C70-I99 HydrophobicContact CB-CG2 3.6Å; C70-I99 WeakPolarHBondContact SG-CG2 3.46Å; L82-I99 HydrophobicContact CD2-CD1 4.3Å; F88-I99 HydrophobicContact CD1-CD1 4.21Å; F88-I99 HydrophobicContact CE1-CD1 3.56Å; F88-I99 HydrophobicContact CZ-CD1 4.46Å; L91-I99 HydrophobicContact CD1-CD1 3.72Å; I99-L101 HydrophobicContact CG2-CB 4.19Å; I99-V135 HydrophobicContact CD1-CG1 4.27Å; I99-V135 HydrophobicContact CG1-CG1 3.97Å; I99-Y136 PolarHBondContact N-O 3.38Å; I99-I137 HydrophobicContact CB-CD1 3.91Å; I99-I137 CarbonylContact O-C 3.56Å; I99-I137 WeakPolarHBondContact O-CA 3.44Å; I99-I138 PolarHBondContact O-N 3.5Å
100	R	97.7	Very high	95.4	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	105.2	164.6	-178.5	165.8	173.5	-93.9	15.5	108.4	I68 N69 C70 I138 D140 N234 N237 E283 E373 T406	I68-R100 PolarHBondContact O-N 2.7Å; N69-R100 CarbonylContact C-O 3.53Å; N69-R100 WeakPolarHBondContact CA-O 3.25Å; N69-R100 WeakPolarHBondContact OD1-CB 3.45Å; N69-R100 VanDerWaalsContact OD1-CD 3.25Å; N69-R100 WeakPolarHBondContact OD1-CD 3.45Å; N69-R100 WeakPolarHBondContact OD1-CG 3.34Å; N69-R100 PolarHBondContact OD1-NH1 2.9Å; C70-R100 PolarHBondContact N-O 2.62Å; R100-I138 CarbonylContact C-O 3.45Å; R100-I138 WeakPolarHBondContact CA-O 3.25Å; R100-I138 HydrophobicContact CB-CB 4.33Å; R100-I138 HydrophobicContact CG-CB 4.37Å; R100-I138 HydrophobicContact CG-CG2 4.33Å; R100-D140 HydrophobicContact CG-CB 3.97Å; R100-D140 VanDerWaalsContact CZ-CG 3.43Å; R100-D140 IonicContact CZ-OD1 3.65Å; R100-D140 IonicContact CZ-OD2 3.22Å; R100-D140 VanDerWaalsContact CZ-OD2 3.3Å; R100-D140 IonicContact NE-OD1 2.64Å; R100-D140 IonicContact NE-OD2 2.69Å; R100-D140 IonicContact NH1-OD2 2.69Å; R100-D140 PolarHBondContact NH1-OD2 3.46Å; R100-D140 IonicContact NH2-OD1 2.63Å; R100-D140 PolarHBondContact NH2-OD1 3.25Å; R100-D140 IonicContact NH2-OD2 2.86Å; R100-D140 PolarHBondContact NH2-OD2 2.96Å; R100-N234 PolarHBondContact NE-ND2 3.14Å; R100-N234 PolarHBondContact NH2-ND2 2.65Å; R100-N237 PolarHBondContact NH2-OD1 2.92Å; R100-E283 IonicContact NH2-OE1 3.71Å; R100-E283 PolarHBondContact NH2-OE1 3.41Å; R100-E373 IonicContact CZ-OE1 2.75Å; R100-E373 IonicContact NH1-OE1 2.72Å; R100-E373 PolarHBondContact NH1-OE1 2.86Å; R100-E373 IonicContact NH2-OE1 3.36Å; R100-T406 HydrophobicContact CB-CG2 4.18Å
101	L	97.3	Very high	95.9	Very high	2 Å²	2	17.2 Å²	17.2	1%	0.01	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	124	-168.8	179.3	67.7	0	0	0	110	C70 L82 I99 F103 I123 I126 I137 I138 D140	C70-L101 HydrophobicContact CB-CD1 3.95Å; L82-L101 HydrophobicContact CD1-CD1 4.06Å; I99-L101 HydrophobicContact CG2-CB 4.19Å; L101-F103 PolarHBondContact O-N 2.94Å; L101-I123 HydrophobicContact CD2-CG2 4.31Å; L101-I126 HydrophobicContact CD2-CG2 3.74Å; L101-I137 HydrophobicContact CB-CG2 3.89Å; L101-I137 HydrophobicContact CD2-CG2 4.14Å; L101-I138 PolarHBondContact N-O 3.42Å; L101-D140 PolarHBondContact O-N 3.05Å
102	E	96.8	Very high	96.2	Very high	8 Å²	8	20.1 Å²	20.1	4%	0.037	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	129.8	170.6	-177.6	-170.4	175.1	0	0	110.4	C70 V71 L72 S104 H142	C70-E102 PolarHBondContact O-N 3.35Å; C70-E102 VanDerWaalsContact O-N 3.12Å; V71-E102 HydrophobicContact CB-CB 4.23Å; V71-E102 HydrophobicContact CG1-CB 4.05Å; V71-E102 HydrophobicContact CG1-CG 4.3Å; V71-E102 WeakPolarHBondContact CG1-OE2 3.48Å; V71-E102 HydrophobicContact CG2-CB 4.1Å; L72-E102 PolarHBondContact N-OE2 3.26Å; E102-S104 WeakPolarHBondContact OE1-CB 3.45Å; E102-H142 HydrophobicContact CG-CB 4Å
103	F	98.2	Very high	96.5	Very high	1 Å²	1	25.5 Å²	25.5	0%	0.004	13%	0.133	C	C	.	.			trans	-109	90.4	163.2	-176.1	-141.2	0	0	0	109.2	L101 W105 L108 Y119 I120 I123 I139 D140 Y216 T220 F224	L101-F103 PolarHBondContact O-N 2.94Å; F103-W105 PolarHBondContact O-N 3.39Å; F103-L108 HydrophobicContact CE1-CD1 4.2Å; F103-L108 HydrophobicContact CE1-CD2 3.77Å; F103-L108 HydrophobicContact CE2-CD1 4.09Å; F103-L108 HydrophobicContact CZ-CD1 3.47Å; F103-L108 VanDerWaalsContact CZ-CD1 3.47Å; F103-L108 HydrophobicContact CZ-CD2 3.9Å; F103-L108 HydrophobicContact CZ-CG 4.14Å; F103-Y119 HydrophobicContact CD2-CD1 4.21Å; F103-Y119 AromaticContact CD2-CE1 3.39Å; F103-Y119 HydrophobicContact CD2-CE1 3.39Å; F103-Y119 AromaticContact CE2-CD1 3.72Å; F103-Y119 HydrophobicContact CE2-CD1 3.72Å; F103-Y119 AromaticContact CE2-CE1 3.38Å; F103-Y119 HydrophobicContact CE2-CE1 3.38Å; F103-I120 HydrophobicContact CZ-CG1 4.13Å; F103-I123 HydrophobicContact CD2-CB 4.38Å; F103-I123 HydrophobicContact CD2-CG1 3.86Å; F103-I123 HydrophobicContact CD2-CG2 4.15Å; F103-I123 HydrophobicContact CE2-CB 4.34Å; F103-I123 HydrophobicContact CE2-CG1 4.01Å; F103-I123 HydrophobicContact CE2-CG2 4.42Å; F103-I139 HydrophobicContact CB-CG2 3.53Å; F103-I139 HydrophobicContact CD1-CG2 4.2Å; F103-I139 HydrophobicContact CG-CG2 4.25Å; F103-D140 PolarHBondContact N-O 3.09Å; F103-Y216 WeakPolarHBondContact CB-OH 3.44Å; F103-Y216 HydrophobicContact CD1-CE2 4.13Å; F103-Y216 AromaticContact CD1-CZ 3.82Å; F103-Y216 WeakPolarHBondContact CD1-OH 3.25Å; F103-Y216 WeakPolarHBondContact O-CE2 3.07Å; F103-Y216 PolarHBondContact O-OH 3.28Å; F103-T220 HydrophobicContact CD1-CG2 4.07Å; F103-T220 WeakPolarHBondContact CD1-OG1 3.46Å; F103-T220 HydrophobicContact CE1-CG2 4.23Å; F103-T220 VanDerWaalsContact CE1-OG1 3.24Å; F103-T220 WeakPolarHBondContact CE1-OG1 3.32Å; F103-F224 HydrophobicContact CD1-CE2 4.26Å; F103-F224 AromaticContact CE1-CE2 3.8Å; F103-F224 HydrophobicContact CE1-CE2 3.8Å; F103-F224 HydrophobicContact CE2-CE2 4.2Å; F103-F224 HydrophobicContact CE2-CZ 4.38Å; F103-F224 AromaticContact CZ-CE2 3.75Å; F103-F224 HydrophobicContact CZ-CE2 3.75Å; F103-F224 HydrophobicContact CZ-CZ 4.19Å
104	S	98	Very high	96.9	Very high	2 Å²	2	27.9 Å²	27.9	1%	0.014	14%	0.143	C	C	.	.			trans	-63	121.6	-167.8	-176.8	0	0	0	0	111.8	E102 I106 A107 L108 Y119	E102-S104 WeakPolarHBondContact OE1-CB 3.45Å; S104-I106 VanDerWaalsContact C-N 3.27Å; S104-I106 PolarHBondContact O-N 2.87Å; S104-A107 PolarHBondContact O-N 2.81Å; S104-L108 WeakPolarHBondContact O-CB 3.41Å; S104-L108 PolarHBondContact O-N 2.81Å; S104-Y119 WeakPolarHBondContact CB-OH 3.46Å; S104-Y119 PolarHBondContact N-OH 3.41Å
105	W	98.4	Very high	97.3	Very high	1 Å²	1	29.5 Å²	29.5	0%	0.004	16%	0.155	C	C	.	.	H	α-helix	trans	-65.2	-33.8	178.1	-164.5	-8.3	0	0	0	111.4	F103 L108 K109 L141 V156 P157 F160 Y212 F213 Y216	F103-W105 PolarHBondContact O-N 3.39Å; W105-L108 PolarHBondContact O-N 3.1Å; W105-K109 PolarHBondContact O-N 2.86Å; W105-L141 HydrophobicContact CB-CD1 4.21Å; W105-L141 HydrophobicContact CE3-CD1 4.01Å; W105-L141 HydrophobicContact CE3-CD2 4.4Å; W105-V156 HydrophobicContact CD2-CG1 4.39Å; W105-V156 HydrophobicContact CE3-CB 4.23Å; W105-V156 HydrophobicContact CE3-CG1 3.57Å; W105-V156 HydrophobicContact CZ3-CG1 3.89Å; W105-P157 HydrophobicContact CG-CG 4.17Å; W105-F160 AromaticContact CH2-CD2 3.96Å; W105-F160 HydrophobicContact CH2-CD2 3.96Å; W105-F160 AromaticContact CH2-CE2 3.86Å; W105-F160 HydrophobicContact CH2-CE2 3.86Å; W105-F160 HydrophobicContact CH2-CG 4.45Å; W105-F160 HydrophobicContact CH2-CZ 4.27Å; W105-F160 HydrophobicContact CZ2-CD2 4.16Å; W105-F160 HydrophobicContact CZ2-CE2 4.47Å; W105-Y212 WeakPolarHBondContact CZ2-O 3.41Å; W105-F213 HydrophobicContact CH2-CB 4.47Å; W105-F213 AromaticContact CH2-CD1 3.97Å; W105-F213 HydrophobicContact CH2-CD1 3.97Å; W105-F213 AromaticContact CH2-CD2 3.86Å; W105-F213 HydrophobicContact CH2-CD2 3.86Å; W105-F213 HydrophobicContact CH2-CE1 4.19Å; W105-F213 HydrophobicContact CH2-CE2 4.07Å; W105-F213 AromaticContact CH2-CG 3.82Å; W105-F213 HydrophobicContact CH2-CG 3.82Å; W105-F213 HydrophobicContact CH2-CZ 4.22Å; W105-F213 AromaticContact CZ3-CD1 3.7Å; W105-F213 HydrophobicContact CZ3-CD1 3.7Å; W105-F213 HydrophobicContact CZ3-CD2 4.21Å; W105-F213 AromaticContact CZ3-CE1 3.57Å; W105-F213 HydrophobicContact CZ3-CE1 3.57Å; W105-F213 HydrophobicContact CZ3-CE2 4.08Å; W105-F213 HydrophobicContact CZ3-CG 4.03Å; W105-F213 AromaticContact CZ3-CZ 3.76Å; W105-F213 HydrophobicContact CZ3-CZ 3.76Å; W105-Y216 HydrophobicContact CB-CD2 3.99Å; W105-Y216 HydrophobicContact CB-CE2 3.95Å; W105-Y216 AromaticContact CD1-CD2 3.79Å; W105-Y216 AromaticContact CD2-CD2 3.98Å; W105-Y216 HydrophobicContact CD2-CD2 3.98Å; W105-Y216 HydrophobicContact CD2-CG 4.48Å; W105-Y216 AromaticContact CG-CD2 3.68Å; W105-Y216 HydrophobicContact CG-CD2 3.68Å; W105-Y216 HydrophobicContact CG-CE2 4.16Å
106	I	97.8	Very high	97.5	Very high	35 Å²	35	30.6 Å²	30.6	18%	0.179	16%	0.163	C	C	.	.	H	α-helix	trans	-63.8	-44.6	177.4	-63	169.7	0	0	0	111.6	F77 S104 K109 P110 D154	F77-I106 HydrophobicContact CE2-CG2 4.41Å; F77-I106 HydrophobicContact CZ-CG2 4.1Å; S104-I106 VanDerWaalsContact C-N 3.27Å; S104-I106 PolarHBondContact O-N 2.87Å; I106-K109 CarbonylContact O-C 3.53Å; I106-P110 WeakPolarHBondContact O-CA 3.39Å; I106-D154 HydrophobicContact CD1-CB 3.4Å; I106-D154 VanDerWaalsContact CD1-CB 3.4Å; I106-D154 WeakPolarHBondContact CD1-O 3.22Å
107	A	98	Very high	97.7	Very high	15 Å²	15	35.3 Å²	35.3	12%	0.124	19%	0.187	C	C	.	.	H	α-helix	trans	-71.3	-35	178.1	0	0	0	0	0	112	F77 S104 S116 Y119	F77-A107 HydrophobicContact CB-CB 3.87Å; F77-A107 HydrophobicContact CD2-CB 3.72Å; F77-A107 HydrophobicContact CG-CB 4.02Å; S104-A107 PolarHBondContact O-N 2.81Å; A107-S116 WeakPolarHBondContact O-CB 3.28Å; A107-Y119 HydrophobicContact CB-CD1 3.66Å; A107-Y119 HydrophobicContact CB-CD2 3.62Å; A107-Y119 HydrophobicContact CB-CE1 3.6Å; A107-Y119 HydrophobicContact CB-CE2 3.57Å; A107-Y119 HydrophobicContact CB-CG 3.67Å
108	L	98.6	Very high	97.8	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-67	-46.2	176.8	-176.9	60.9	0	0	0	112.6	F103 S104 W105 T115 S116 Y119 I120 Y216 I219	F103-L108 HydrophobicContact CE1-CD1 4.2Å; F103-L108 HydrophobicContact CE1-CD2 3.77Å; F103-L108 HydrophobicContact CE2-CD1 4.09Å; F103-L108 HydrophobicContact CZ-CD1 3.47Å; F103-L108 VanDerWaalsContact CZ-CD1 3.47Å; F103-L108 HydrophobicContact CZ-CD2 3.9Å; F103-L108 HydrophobicContact CZ-CG 4.14Å; S104-L108 WeakPolarHBondContact O-CB 3.41Å; S104-L108 PolarHBondContact O-N 2.81Å; W105-L108 PolarHBondContact O-N 3.1Å; L108-T115 HydrophobicContact CD1-CG2 4.23Å; L108-T115 WeakPolarHBondContact O-CA 3.36Å; L108-S116 PolarHBondContact O-N 2.78Å; L108-Y119 HydrophobicContact CB-CD1 4.26Å; L108-Y119 HydrophobicContact CB-CE1 4.43Å; L108-I120 HydrophobicContact CD1-CD1 3.62Å; L108-I120 HydrophobicContact CD1-CG1 3.47Å; L108-I120 VanDerWaalsContact CD1-CG1 3.47Å; L108-Y216 HydrophobicContact CD2-CD2 3.53Å; L108-Y216 HydrophobicContact CD2-CE2 3.83Å; L108-Y216 HydrophobicContact CD2-CG 4.33Å; L108-I219 HydrophobicContact CD1-CG2 3.91Å; L108-I219 HydrophobicContact CD2-CD1 4.47Å; L108-I219 HydrophobicContact CD2-CG2 4.38Å
109	K	98	Very high	97.8	Very high	2 Å²	2	42.3 Å²	42.3	1%	0.009	22%	0.219	C	C	.	.			trans	-129.3	69.9	-172.6	-69.9	-90.7	-114.3	158.9	0	110.5	W105 I106 H111 E112 E114 P157 W159 E215 I219	W105-K109 PolarHBondContact O-N 2.86Å; I106-K109 CarbonylContact O-C 3.53Å; K109-H111 PolarHBondContact O-N 3.07Å; K109-E112 PolarHBondContact NZ-O 3.3Å; K109-E114 WeakPolarHBondContact CD-O 3.48Å; K109-P157 HydrophobicContact CB-CG 4.28Å; K109-P157 WeakPolarHBondContact O-CG 3.47Å; K109-W159 HydrophobicContact CB-CZ2 3.79Å; K109-W159 HydrophobicContact CG-CZ2 4.49Å; K109-W159 PolarHBondContact O-NE1 3.05Å; K109-E215 WeakPolarHBondContact CE-OE1 3.32Å; K109-E215 VanDerWaalsContact CE-OE2 3.29Å; K109-E215 WeakPolarHBondContact CE-OE2 3.29Å; K109-E215 IonicContact NZ-OE1 3.52Å; K109-E215 PolarHBondContact NZ-OE1 3.36Å; K109-E215 IonicContact NZ-OE2 3.7Å; K109-E215 PolarHBondContact NZ-OE2 2.79Å; K109-I219 HydrophobicContact CD-CD1 4.4Å
110	P	97.3	Very high	97.9	Very high	48 Å²	48	42.5 Å²	42.5	31%	0.312	22%	0.22	S	C	.	.	S	Bend	trans	-59.4	-33	179.7	24.6	-34.1	0	0	0	112	I106 E114	I106-P110 WeakPolarHBondContact O-CA 3.39Å; P110-E114 HydrophobicContact CG-CG 4.23Å
111	H	97.7	Very high	98	Very high	121 Å²	121	46.3 Å²	46.3	56%	0.56	24%	0.241	S	C	*	.	S	Bend	trans	-128.4	156.1	172.1	-62	-68.9	0	0	0	110.6	K109 N113 E114 W159	K109-H111 PolarHBondContact O-N 3.07Å; H111-N113 VanDerWaalsContact C-N 3.31Å; H111-N113 PolarHBondContact O-N 2.77Å; H111-E114 HydrophobicContact CB-CB 3.93Å; H111-E114 IonicContact CD2-OE2 3.04Å; H111-E114 PolarHBondContact CD2-OE2 2.94Å; H111-E114 VanDerWaalsContact CD2-OE2 3.29Å; H111-E114 PolarHBondContact O-N 2.91Å; H111-E114 VanDerWaalsContact O-N 3.07Å; H111-E114 VanDerWaalsContact O-O 3.07Å; H111-W159 VanDerWaalsContact C-NE1 3.3Å
112	E	97	Very high	98	Very high	62 Å²	62	47.6 Å²	47.6	29%	0.29	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-45.2	-174.3	-178.1	173.6	-170	0	0	112.6	K109 W159 K163	K109-E112 PolarHBondContact NZ-O 3.3Å; E112-W159 HydrophobicContact CB-CD2 3.72Å; E112-W159 HydrophobicContact CB-CE3 3.79Å; E112-W159 HydrophobicContact CB-CG 4.05Å; E112-W159 HydrophobicContact CB-CZ3 4.4Å; E112-W159 HydrophobicContact CG-CD2 4.33Å; E112-W159 HydrophobicContact CG-CE3 3.88Å; E112-W159 HydrophobicContact CG-CZ3 4.13Å; E112-K163 VanDerWaalsContact OE1-CE 3.28Å; E112-K163 WeakPolarHBondContact OE1-CE 3.33Å; E112-K163 IonicContact OE1-NZ 3.54Å; E112-K163 PolarHBondContact OE1-NZ 2.78Å; E112-K163 WeakPolarHBondContact OE2-CE 3.4Å; E112-K163 IonicContact OE2-NZ 3.48Å; E112-K163 PolarHBondContact OE2-NZ 3.34Å
113	N	96.9	Very high	98.1	Very high	161 Å²	161	47.2 Å²	47.2	86%	0.861	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.8	13.4	-178.2	-62.4	-35.7	0	0	0	113.4	H111	H111-N113 VanDerWaalsContact C-N 3.31Å; H111-N113 PolarHBondContact O-N 2.77Å
114	E	97.8	Very high	98.2	Very high	90 Å²	90	49.1 Å²	49.1	42%	0.421	25%	0.254	S	S	.	.			trans	-119.3	132.1	-179.2	-171.5	178.8	146.8	0	0	110.5	K109 P110 H111	K109-E114 WeakPolarHBondContact CD-O 3.48Å; P110-E114 HydrophobicContact CG-CG 4.23Å; H111-E114 HydrophobicContact CB-CB 3.93Å; H111-E114 IonicContact CD2-OE2 3.04Å; H111-E114 PolarHBondContact CD2-OE2 2.94Å; H111-E114 VanDerWaalsContact CD2-OE2 3.29Å; H111-E114 PolarHBondContact O-N 2.91Å; H111-E114 VanDerWaalsContact O-N 3.07Å; H111-E114 VanDerWaalsContact O-O 3.07Å
115	T	98.5	Very high	98.2	Very high	51 Å²	51	53.9 Å²	53.9	31%	0.313	28%	0.275	S	S	.	.			trans	-117.6	120.8	170.3	-59.9	0	0	0	0	108.4	L108 L117 I120 I219	L108-T115 HydrophobicContact CD1-CG2 4.23Å; L108-T115 WeakPolarHBondContact O-CA 3.36Å; T115-L117 PolarHBondContact O-N 3.43Å; T115-I120 HydrophobicContact CG2-CD1 3.63Å; T115-I219 HydrophobicContact CG2-CD1 4.01Å; T115-I219 HydrophobicContact CG2-CG2 4.23Å
116	S	98.6	Very high	98.2	Very high	26 Å²	26	53.9 Å²	53.9	18%	0.182	28%	0.275	C	S	.	.			trans	-75.5	93.6	-180	-178.1	0	0	0	0	110.8	A107 L108 E118 Y119 I120	A107-S116 WeakPolarHBondContact O-CB 3.28Å; L108-S116 PolarHBondContact O-N 2.78Å; S116-E118 VanDerWaalsContact C-N 3.25Å; S116-E118 PolarHBondContact O-N 3.25Å; S116-Y119 PolarHBondContact O-N 2.8Å; S116-Y119 WeakPolarHBondContact OG-CB 3.42Å; S116-Y119 PolarHBondContact OG-N 3.37Å; S116-I120 WeakPolarHBondContact O-CG1 3.45Å; S116-I120 PolarHBondContact O-N 2.91Å; S116-I120 VanDerWaalsContact O-N 3.16Å
117	L	98.3	Very high	98.2	Very high	108 Å²	108	52.2 Å²	52.2	57%	0.565	27%	0.266	S	S	*	.	H	α-helix	trans	-62.3	-34.8	174.9	-64.1	-179.6	0	0	0	111.9	T115 Y119 I120 D121	T115-L117 PolarHBondContact O-N 3.43Å; L117-Y119 PolarHBondContact O-N 2.94Å; L117-I120 HydrophobicContact CD2-CD1 4.22Å; L117-I120 PolarHBondContact O-N 3.21Å; L117-D121 PolarHBondContact O-N 2.91Å
118	E	98.5	Very high	98.3	Very high	146 Å²	146	54.5 Å²	54.5	68%	0.682	28%	0.276	S	S	*	.	H	α-helix	trans	-60.2	-45.8	175.9	-177	-178.4	179.8	0	0	111.7	S116 I120 D121 I122	S116-E118 VanDerWaalsContact C-N 3.25Å; S116-E118 PolarHBondContact O-N 3.25Å; E118-I120 VanDerWaalsContact C-N 3.35Å; E118-I120 PolarHBondContact O-N 3.49Å; E118-D121 PolarHBondContact O-N 3.12Å; E118-I122 HydrophobicContact CG-CD1 4.24Å; E118-I122 WeakPolarHBondContact O-CG1 3.49Å; E118-I122 PolarHBondContact O-N 3.08Å
119	Y	98.7	Very high	98.2	Very high	10 Å²	10	54.6 Å²	54.6	4%	0.039	28%	0.277	C	S	.	.	H	α-helix	trans	-64.1	-41	176.4	179.9	-114.2	0	0	0	111.7	F77 Y78 F103 S104 A107 L108 S116 L117 D121 I122 I123	F77-Y119 HydrophobicContact CB-CE2 4.21Å; F77-Y119 PolarHBondContact O-OH 2.74Å; Y78-Y119 HydrophobicContact CD1-CD2 4.31Å; Y78-Y119 HydrophobicContact CD1-CE2 4Å; F103-Y119 HydrophobicContact CD2-CD1 4.21Å; F103-Y119 AromaticContact CD2-CE1 3.39Å; F103-Y119 HydrophobicContact CD2-CE1 3.39Å; F103-Y119 AromaticContact CE2-CD1 3.72Å; F103-Y119 HydrophobicContact CE2-CD1 3.72Å; F103-Y119 AromaticContact CE2-CE1 3.38Å; F103-Y119 HydrophobicContact CE2-CE1 3.38Å; S104-Y119 WeakPolarHBondContact CB-OH 3.46Å; S104-Y119 PolarHBondContact N-OH 3.41Å; A107-Y119 HydrophobicContact CB-CD1 3.66Å; A107-Y119 HydrophobicContact CB-CD2 3.62Å; A107-Y119 HydrophobicContact CB-CE1 3.6Å; A107-Y119 HydrophobicContact CB-CE2 3.57Å; A107-Y119 HydrophobicContact CB-CG 3.67Å; L108-Y119 HydrophobicContact CB-CD1 4.26Å; L108-Y119 HydrophobicContact CB-CE1 4.43Å; S116-Y119 PolarHBondContact O-N 2.8Å; S116-Y119 WeakPolarHBondContact OG-CB 3.42Å; S116-Y119 PolarHBondContact OG-N 3.37Å; L117-Y119 PolarHBondContact O-N 2.94Å; Y119-D121 PolarHBondContact O-N 2.88Å; Y119-I122 WeakPolarHBondContact O-CB 3.14Å; Y119-I122 PolarHBondContact O-N 2.94Å; Y119-I123 HydrophobicContact CD1-CG1 4.46Å; Y119-I123 HydrophobicContact CD2-CG1 4.38Å; Y119-I123 HydrophobicContact CE1-CG1 4.06Å; Y119-I123 HydrophobicContact CE2-CD1 3.97Å; Y119-I123 HydrophobicContact CE2-CG1 3.96Å; Y119-I123 WeakPolarHBondContact O-CG1 3.36Å; Y119-I123 PolarHBondContact O-N 3.5Å
120	I	98.8	Very high	98.2	Very high	4 Å²	4	54.5 Å²	54.5	2%	0.021	28%	0.277	C	S	.	.	H	α-helix	trans	-60.2	-45.1	176.1	-65.9	167.4	0	0	0	111	F103 L108 T115 S116 L117 E118 I122 I123 E124 I219 R223 F224	F103-I120 HydrophobicContact CZ-CG1 4.13Å; L108-I120 HydrophobicContact CD1-CD1 3.62Å; L108-I120 HydrophobicContact CD1-CG1 3.47Å; L108-I120 VanDerWaalsContact CD1-CG1 3.47Å; T115-I120 HydrophobicContact CG2-CD1 3.63Å; S116-I120 WeakPolarHBondContact O-CG1 3.45Å; S116-I120 PolarHBondContact O-N 2.91Å; S116-I120 VanDerWaalsContact O-N 3.16Å; L117-I120 HydrophobicContact CD2-CD1 4.22Å; L117-I120 PolarHBondContact O-N 3.21Å; E118-I120 VanDerWaalsContact C-N 3.35Å; E118-I120 PolarHBondContact O-N 3.49Å; I120-I122 VanDerWaalsContact C-N 3.31Å; I120-I122 PolarHBondContact O-N 3.44Å; I120-I123 PolarHBondContact O-N 3.05Å; I120-E124 WeakPolarHBondContact O-CB 3.41Å; I120-E124 PolarHBondContact O-N 3.38Å; I120-I219 HydrophobicContact CD1-CG2 3.61Å; I120-I219 HydrophobicContact CG1-CG2 4.47Å; I120-R223 HydrophobicContact CG2-CB 4.08Å; I120-R223 HydrophobicContact CG2-CG 3.52Å; I120-R223 VanDerWaalsContact CG2-CZ 3.49Å; I120-F224 HydrophobicContact CG2-CE1 4.32Å; I120-F224 HydrophobicContact CG2-CZ 4.02Å
121	D	98.8	Very high	98.1	Very high	80 Å²	80	52.5 Å²	52.5	43%	0.428	27%	0.265	S	S	.	.	H	α-helix	trans	-64	-36.3	179.5	-67.9	-14.8	0	0	0	111.8	L117 E118 Y119 E124 K125 R223	L117-D121 PolarHBondContact O-N 2.91Å; E118-D121 PolarHBondContact O-N 3.12Å; Y119-D121 PolarHBondContact O-N 2.88Å; D121-E124 PolarHBondContact O-N 2.86Å; D121-K125 WeakPolarHBondContact O-CB 3.26Å; D121-K125 PolarHBondContact O-N 3Å; D121-R223 IonicContact OD1-CZ 3.3Å; D121-R223 VanDerWaalsContact OD1-CZ 3.22Å; D121-R223 IonicContact OD1-NH1 3.87Å; D121-R223 PolarHBondContact OD1-NH1 2.87Å; D121-R223 IonicContact OD1-NH2 3.43Å; D121-R223 PolarHBondContact OD1-NH2 3.06Å
122	I	98.6	Very high	98	Very high	29 Å²	29	52.7 Å²	52.7	15%	0.149	27%	0.269	C	S	.	.	H	α-helix	trans	-63.5	-47.8	174.1	-73.4	165.2	0	0	0	111.1	Y78 L83 E118 Y119 I120 E124 K125 I126	Y78-I122 HydrophobicContact CD1-CG2 3.67Å; Y78-I122 HydrophobicContact CD2-CG2 3.82Å; Y78-I122 HydrophobicContact CE1-CD1 3.93Å; Y78-I122 HydrophobicContact CE1-CG2 3.57Å; Y78-I122 HydrophobicContact CE2-CG2 3.72Å; Y78-I122 HydrophobicContact CG-CG2 3.8Å; L83-I122 HydrophobicContact CD2-CG2 4.19Å; E118-I122 HydrophobicContact CG-CD1 4.24Å; E118-I122 WeakPolarHBondContact O-CG1 3.49Å; E118-I122 PolarHBondContact O-N 3.08Å; Y119-I122 WeakPolarHBondContact O-CB 3.14Å; Y119-I122 PolarHBondContact O-N 2.94Å; I120-I122 VanDerWaalsContact C-N 3.31Å; I120-I122 PolarHBondContact O-N 3.44Å; I122-E124 VanDerWaalsContact C-N 3.32Å; I122-K125 WeakPolarHBondContact O-CB 3.44Å; I122-K125 PolarHBondContact O-N 3.23Å; I122-I126 HydrophobicContact CG2-CD1 4.38Å; I122-I126 WeakPolarHBondContact O-CG1 3.47Å; I122-I126 PolarHBondContact O-N 3.47Å
123	I	98.8	Very high	97.8	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-65.8	-38.7	178.6	-63.1	-64.5	0	0	0	110.5	L101 F103 Y119 I120 K125 I126 I127 F224	L101-I123 HydrophobicContact CD2-CG2 4.31Å; F103-I123 HydrophobicContact CD2-CB 4.38Å; F103-I123 HydrophobicContact CD2-CG1 3.86Å; F103-I123 HydrophobicContact CD2-CG2 4.15Å; F103-I123 HydrophobicContact CE2-CB 4.34Å; F103-I123 HydrophobicContact CE2-CG1 4.01Å; F103-I123 HydrophobicContact CE2-CG2 4.42Å; Y119-I123 HydrophobicContact CD1-CG1 4.46Å; Y119-I123 HydrophobicContact CD2-CG1 4.38Å; Y119-I123 HydrophobicContact CE1-CG1 4.06Å; Y119-I123 HydrophobicContact CE2-CD1 3.97Å; Y119-I123 HydrophobicContact CE2-CG1 3.96Å; Y119-I123 WeakPolarHBondContact O-CG1 3.36Å; Y119-I123 PolarHBondContact O-N 3.5Å; I120-I123 PolarHBondContact O-N 3.05Å; I123-K125 VanDerWaalsContact C-N 3.32Å; I123-K125 PolarHBondContact O-N 3.3Å; I123-I126 HydrophobicContact CD1-CD1 4.35Å; I123-I126 WeakPolarHBondContact O-CB 3.46Å; I123-I126 PolarHBondContact O-N 2.98Å; I123-I127 HydrophobicContact CG2-CD1 3.95Å; I123-I127 WeakPolarHBondContact O-CG1 3.15Å; I123-I127 PolarHBondContact O-N 3.1Å; I123-F224 HydrophobicContact CB-CZ 4.05Å; I123-F224 HydrophobicContact CG2-CE1 4.28Å; I123-F224 HydrophobicContact CG2-CE2 4.12Å; I123-F224 HydrophobicContact CG2-CZ 3.68Å
124	E	98.8	Very high	97.6	Very high	40 Å²	40	46.2 Å²	46.2	19%	0.187	24%	0.239	C	C	.	.	H	α-helix	trans	-59	-44.4	172.7	-167.6	169.6	-163.5	0	0	111.5	I120 D121 I122 I126 I127 D128 R223 F224 K227	I120-E124 WeakPolarHBondContact O-CB 3.41Å; I120-E124 PolarHBondContact O-N 3.38Å; D121-E124 PolarHBondContact O-N 2.86Å; I122-E124 VanDerWaalsContact C-N 3.32Å; E124-I126 VanDerWaalsContact C-N 3.31Å; E124-I126 PolarHBondContact O-N 2.99Å; E124-I127 PolarHBondContact O-N 3.04Å; E124-D128 WeakPolarHBondContact O-CB 3.45Å; E124-D128 PolarHBondContact O-N 2.66Å; E124-R223 IonicContact OE2-CZ 3.36Å; E124-R223 IonicContact OE2-NH1 3.41Å; E124-R223 PolarHBondContact OE2-NH1 2.85Å; E124-F224 HydrophobicContact CB-CE1 3.91Å; E124-F224 HydrophobicContact CG-CE1 4.44Å; E124-K227 WeakPolarHBondContact OE1-CE 3.45Å; E124-K227 IonicContact OE1-NZ 2.65Å; E124-K227 PolarHBondContact OE1-NZ 2.84Å
125	K	98.7	Very high	97.5	Very high	103 Å²	103	42 Å²	42	45%	0.448	22%	0.219	S	C	.	.	H	α-helix	trans	-60.9	-39.9	177.3	-178.5	60.6	-179.9	170.8	0	112.2	L83 D121 I122 I123 D128 N129	L83-K125 HydrophobicContact CD2-CB 4.16Å; L83-K125 HydrophobicContact CD2-CG 3.89Å; D121-K125 WeakPolarHBondContact O-CB 3.26Å; D121-K125 PolarHBondContact O-N 3Å; I122-K125 WeakPolarHBondContact O-CB 3.44Å; I122-K125 PolarHBondContact O-N 3.23Å; I123-K125 VanDerWaalsContact C-N 3.32Å; I123-K125 PolarHBondContact O-N 3.3Å; K125-D128 PolarHBondContact O-N 3.39Å; K125-N129 WeakPolarHBondContact CE-OD1 3.22Å; K125-N129 PolarHBondContact NZ-OD1 3.21Å; K125-N129 WeakPolarHBondContact O-CB 3.39Å; K125-N129 PolarHBondContact O-N 2.77Å; K125-N129 PolarHBondContact O-ND2 3.27Å
126	I	98.2	Very high	97.5	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-62.1	-47.6	174.1	-71.6	172.3	0	0	0	110.6	Y78 L82 L83 F88 L101 I122 I123 E124 D128 N129 A130	Y78-I126 HydrophobicContact CD2-CD1 4.01Å; Y78-I126 HydrophobicContact CG-CD1 4.23Å; L82-I126 HydrophobicContact CB-CB 4.46Å; L82-I126 HydrophobicContact CB-CD1 3.98Å; L82-I126 HydrophobicContact CB-CG1 3.82Å; L82-I126 HydrophobicContact CB-CG2 3.93Å; L82-I126 HydrophobicContact CD1-CG2 4.03Å; L83-I126 HydrophobicContact CD2-CG1 4.11Å; F88-I126 HydrophobicContact CZ-CG2 4.11Å; F88-I126 WeakPolarHBondContact CZ-O 3.47Å; L101-I126 HydrophobicContact CD2-CG2 3.74Å; I122-I126 HydrophobicContact CG2-CD1 4.38Å; I122-I126 WeakPolarHBondContact O-CG1 3.47Å; I122-I126 PolarHBondContact O-N 3.47Å; I123-I126 HydrophobicContact CD1-CD1 4.35Å; I123-I126 WeakPolarHBondContact O-CB 3.46Å; I123-I126 PolarHBondContact O-N 2.98Å; E124-I126 VanDerWaalsContact C-N 3.31Å; E124-I126 PolarHBondContact O-N 2.99Å; I126-D128 VanDerWaalsContact C-N 3.34Å; I126-D128 PolarHBondContact O-N 2.76Å; I126-N129 PolarHBondContact O-N 3.07Å; I126-A130 PolarHBondContact O-N 3Å
127	I	98.6	Very high	97.5	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-61.1	-43.7	178	-67.1	164.4	0	0	0	110.6	I123 E124 A130 G131 I137 I139 F224 K227 N229 V230	I123-I127 HydrophobicContact CG2-CD1 3.95Å; I123-I127 WeakPolarHBondContact O-CG1 3.15Å; I123-I127 PolarHBondContact O-N 3.1Å; E124-I127 PolarHBondContact O-N 3.04Å; I127-A130 WeakPolarHBondContact O-CB 3.32Å; I127-A130 PolarHBondContact O-N 2.9Å; I127-G131 PolarHBondContact O-N 3.15Å; I127-I137 HydrophobicContact CB-CG1 4.5Å; I127-I137 HydrophobicContact CG1-CB 4.43Å; I127-I137 HydrophobicContact CG1-CG1 4.08Å; I127-I137 HydrophobicContact CG1-CG2 4.27Å; I127-I139 HydrophobicContact CD1-CD1 4.13Å; I127-F224 HydrophobicContact CD1-CB 4.42Å; I127-F224 HydrophobicContact CD1-CD1 3.61Å; I127-F224 HydrophobicContact CD1-CD2 4.35Å; I127-F224 HydrophobicContact CD1-CE1 3.88Å; I127-F224 HydrophobicContact CD1-CG 3.88Å; I127-F224 HydrophobicContact CD1-CZ 4.36Å; I127-K227 HydrophobicContact CG2-CB 4.17Å; I127-K227 HydrophobicContact CG2-CD 4.48Å; I127-K227 HydrophobicContact CG2-CG 4.18Å; I127-N229 PolarHBondContact O-ND2 2.97Å; I127-V230 HydrophobicContact CD1-CG2 4.26Å; I127-V230 HydrophobicContact CG2-CG2 3.9Å
128	D	98.5	Very high	97.5	Very high	63 Å²	63	34.2 Å²	34.2	34%	0.337	17%	0.173	S	C	.	.	H	α-helix	trans	-65.8	-44	179.1	-73.5	-17.7	0	0	0	111.6	E124 K125 I126 A130 G131 L132 K227	E124-D128 WeakPolarHBondContact O-CB 3.45Å; E124-D128 PolarHBondContact O-N 2.66Å; K125-D128 PolarHBondContact O-N 3.39Å; I126-D128 VanDerWaalsContact C-N 3.34Å; I126-D128 PolarHBondContact O-N 2.76Å; D128-A130 VanDerWaalsContact C-N 3.29Å; D128-A130 PolarHBondContact O-N 3.1Å; D128-G131 PolarHBondContact O-N 3.46Å; D128-G131 VanDerWaalsContact O-N 3.16Å; D128-L132 PolarHBondContact O-N 3.06Å; D128-K227 VanDerWaalsContact CG-NZ 3.3Å; D128-K227 WeakPolarHBondContact OD1-CE 3.16Å; D128-K227 IonicContact OD1-NZ 2.94Å; D128-K227 PolarHBondContact OD1-NZ 3.48Å; D128-K227 IonicContact OD2-NZ 3.95Å; D128-K227 PolarHBondContact OD2-NZ 3.36Å; D128-K227 VanDerWaalsContact OD2-NZ 3.14Å
129	N	97.7	Very high	97.5	Very high	3 Å²	3	27.3 Å²	27.3	2%	0.016	14%	0.14	C	C	.	.	H	α-helix	trans	-59.2	-40.6	174.4	-75.5	-11.7	0	0	0	111.6	L82 L83 F88 K125 I126 L132 Y133	L82-N129 PolarHBondContact O-ND2 3.25Å; L82-N129 VanDerWaalsContact O-ND2 3.15Å; L83-N129 VanDerWaalsContact C-ND2 3.28Å; L83-N129 PolarHBondContact O-ND2 2.99Å; F88-N129 HydrophobicContact CD2-CB 3.65Å; F88-N129 HydrophobicContact CE2-CB 3.44Å; F88-N129 VanDerWaalsContact CE2-CB 3.44Å; F88-N129 HydrophobicContact CZ-CB 4.42Å; K125-N129 WeakPolarHBondContact CE-OD1 3.22Å; K125-N129 PolarHBondContact NZ-OD1 3.21Å; K125-N129 WeakPolarHBondContact O-CB 3.39Å; K125-N129 PolarHBondContact O-N 2.77Å; K125-N129 PolarHBondContact O-ND2 3.27Å; I126-N129 PolarHBondContact O-N 3.07Å; N129-L132 PolarHBondContact O-N 2.98Å; N129-Y133 WeakPolarHBondContact O-CD2 3.36Å
130	A	96.7	Very high	97.5	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-62	-44	174.8	0	0	0	0	0	111.8	F88 I126 I127 D128 L132 Y133 G134 V135 I137	F88-A130 VanDerWaalsContact CD1-CA 3.49Å; F88-A130 HydrophobicContact CD1-CB 3.72Å; F88-A130 HydrophobicContact CE1-CB 3.31Å; F88-A130 HydrophobicContact CE2-CB 4.44Å; F88-A130 HydrophobicContact CG-CB 4.4Å; F88-A130 HydrophobicContact CZ-CB 3.72Å; I126-A130 PolarHBondContact O-N 3Å; I127-A130 WeakPolarHBondContact O-CB 3.32Å; I127-A130 PolarHBondContact O-N 2.9Å; D128-A130 VanDerWaalsContact C-N 3.29Å; D128-A130 PolarHBondContact O-N 3.1Å; A130-L132 VanDerWaalsContact C-N 3.32Å; A130-L132 PolarHBondContact O-N 3.33Å; A130-Y133 PolarHBondContact O-N 2.86Å; A130-Y133 VanDerWaalsContact O-N 3.11Å; A130-G134 PolarHBondContact O-N 3.14Å; A130-V135 CarbonylContact C-O 3.57Å; A130-V135 HydrophobicContact CB-CB 4.04Å; A130-V135 HydrophobicContact CB-CG1 4.23Å; A130-V135 WeakPolarHBondContact CB-O 3.28Å; A130-V135 PolarHBondContact O-N 3.25Å; A130-I137 HydrophobicContact CB-CD1 3.78Å; A130-I137 HydrophobicContact CB-CG1 4.05Å
131	G	96.1	Very high	97.5	Very high	6 Å²	6	26.9 Å²	26.9	6%	0.062	14%	0.139	C	C	.	.	H	α-helix	trans	-57.3	-41.9	179.8	0	0	0	0	0	112.8	I127 D128 Y133 G134 Y228 N229	I127-G131 PolarHBondContact O-N 3.15Å; D128-G131 PolarHBondContact O-N 3.46Å; D128-G131 VanDerWaalsContact O-N 3.16Å; G131-Y133 PolarHBondContact O-N 2.76Å; G131-G134 PolarHBondContact O-N 2.98Å; G131-Y228 VanDerWaalsContact C-OH 3.22Å; G131-Y228 WeakPolarHBondContact CA-OH 3.27Å; G131-Y228 PolarHBondContact O-OH 3.46Å; G131-N229 WeakPolarHBondContact CA-ND2 3.22Å; G131-N229 PolarHBondContact N-ND2 3.49Å; G131-N229 VanDerWaalsContact N-ND2 3.18Å
132	L	95	Very high	97.4	Very high	125 Å²	125	23.3 Å²	23.3	65%	0.654	12%	0.12	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-26.9	178.1	-67.5	175.2	0	0	0	113.7	D128 N129 A130	D128-L132 PolarHBondContact O-N 3.06Å; N129-L132 PolarHBondContact O-N 2.98Å; A130-L132 VanDerWaalsContact C-N 3.32Å; A130-L132 PolarHBondContact O-N 3.33Å
133	Y	93.1	Very high	97.1	Very high	60 Å²	60	22.1 Å²	22.1	24%	0.235	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.3	10.2	-178.6	-63	-83.8	0	0	0	113.6	S85 F88 K89 N129 A130 G131 V135	S85-Y133 WeakPolarHBondContact O-CE2 3.24Å; F88-Y133 HydrophobicContact CB-CD2 3.48Å; F88-Y133 VanDerWaalsContact CB-CD2 3.48Å; F88-Y133 HydrophobicContact CB-CE2 4.21Å; F88-Y133 HydrophobicContact CB-CG 3.98Å; K89-Y133 HydrophobicContact CB-CD1 3.87Å; K89-Y133 HydrophobicContact CB-CE1 3.46Å; K89-Y133 VanDerWaalsContact CB-CE1 3.46Å; K89-Y133 HydrophobicContact CG-CD1 4.19Å; K89-Y133 HydrophobicContact CG-CE1 3.76Å; N129-Y133 WeakPolarHBondContact O-CD2 3.36Å; A130-Y133 PolarHBondContact O-N 2.86Å; A130-Y133 VanDerWaalsContact O-N 3.11Å; G131-Y133 PolarHBondContact O-N 2.76Å; Y133-V135 VanDerWaalsContact C-N 3.28Å; Y133-V135 PolarHBondContact O-N 2.98Å
134	G	92.5	Very high	96.6	Very high	27 Å²	27	22.9 Å²	22.9	28%	0.278	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.5	18.5	-179.3	0	0	0	0	0	114	A130 G131	A130-G134 PolarHBondContact O-N 3.14Å; G131-G134 PolarHBondContact O-N 2.98Å
135	V	95.6	Very high	96.4	Very high	1 Å²	1	21 Å²	21	1%	0.006	11%	0.108	C	C	.	.			trans	-87.2	125.7	176.9	178.5	0	0	0	0	109.4	F88 N97 I99 A130 Y133 N229	F88-V135 HydrophobicContact CD1-CB 4.19Å; F88-V135 HydrophobicContact CD1-CG1 4.2Å; F88-V135 HydrophobicContact CD1-CG2 4.31Å; F88-V135 HydrophobicContact CE1-CG1 4.43Å; N97-V135 WeakPolarHBondContact O-CA 3.44Å; I99-V135 HydrophobicContact CD1-CG1 4.27Å; I99-V135 HydrophobicContact CG1-CG1 3.97Å; A130-V135 CarbonylContact C-O 3.57Å; A130-V135 HydrophobicContact CB-CB 4.04Å; A130-V135 HydrophobicContact CB-CG1 4.23Å; A130-V135 WeakPolarHBondContact CB-O 3.28Å; A130-V135 PolarHBondContact O-N 3.25Å; Y133-V135 VanDerWaalsContact C-N 3.28Å; Y133-V135 PolarHBondContact O-N 2.98Å; V135-N229 PolarHBondContact O-ND2 3.17Å
136	Y	98.3	Very high	96.2	Very high	20 Å²	20	16.1 Å²	16.1	8%	0.078	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	156.3	176.6	-75.6	-96.6	0	0	0	111.9	V46 F65 N97 V98 I99 N229 L231	V46-Y136 HydrophobicContact CG2-CE1 3.86Å; F65-Y136 HydrophobicContact CD1-CD2 4.34Å; F65-Y136 AromaticContact CE1-CD2 3.64Å; F65-Y136 HydrophobicContact CE1-CD2 3.64Å; F65-Y136 AromaticContact CE1-CE2 3.96Å; F65-Y136 HydrophobicContact CE1-CE2 3.96Å; F65-Y136 AromaticContact CE1-CG 3.95Å; F65-Y136 HydrophobicContact CE1-CG 3.95Å; N97-Y136 PolarHBondContact O-N 3.17Å; V98-Y136 CarbonylContact C-O 3.55Å; V98-Y136 VanDerWaalsContact CA-O 3.24Å; V98-Y136 WeakPolarHBondContact CA-O 3.26Å; I99-Y136 PolarHBondContact N-O 3.38Å; Y136-N229 CarbonylContact C-O 3.6Å; Y136-N229 WeakPolarHBondContact CA-O 3.16Å; Y136-N229 HydrophobicContact CD1-CB 4.4Å; Y136-N229 WeakPolarHBondContact CD1-O 3.17Å; Y136-L231 HydrophobicContact CD1-CB 3.99Å; Y136-L231 HydrophobicContact CD1-CD1 4.35Å; Y136-L231 HydrophobicContact CG-CB 4.41Å
137	I	98.7	Very high	96.1	Very high	1 Å²	1	16.1 Å²	16.1	1%	0.005	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	126	177.9	-57.4	-61.8	0	0	0	109.7	I99 L101 I127 A130 I139 N229 V230 L231	I99-I137 HydrophobicContact CB-CD1 3.91Å; I99-I137 CarbonylContact O-C 3.56Å; I99-I137 WeakPolarHBondContact O-CA 3.44Å; L101-I137 HydrophobicContact CB-CG2 3.89Å; L101-I137 HydrophobicContact CD2-CG2 4.14Å; I127-I137 HydrophobicContact CB-CG1 4.5Å; I127-I137 HydrophobicContact CG1-CB 4.43Å; I127-I137 HydrophobicContact CG1-CG1 4.08Å; I127-I137 HydrophobicContact CG1-CG2 4.27Å; A130-I137 HydrophobicContact CB-CD1 3.78Å; A130-I137 HydrophobicContact CB-CG1 4.05Å; I137-I139 HydrophobicContact CG2-CG1 3.93Å; I137-N229 PolarHBondContact N-O 3.12Å; I137-V230 CarbonylContact O-C 3.52Å; I137-V230 WeakPolarHBondContact O-CA 3.11Å; I137-L231 PolarHBondContact O-N 3.34Å
138	I	98.8	Very high	95.9	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	116.7	160.5	-58.6	165.8	0	0	0	105.9	V98 I99 R100 L101 L231 G232 N234 F281 F370	V98-I138 HydrophobicContact CG2-CD1 4Å; V98-I138 HydrophobicContact CG2-CG1 4Å; I99-I138 PolarHBondContact O-N 3.5Å; R100-I138 CarbonylContact C-O 3.45Å; R100-I138 WeakPolarHBondContact CA-O 3.25Å; R100-I138 HydrophobicContact CB-CB 4.33Å; R100-I138 HydrophobicContact CG-CB 4.37Å; R100-I138 HydrophobicContact CG-CG2 4.33Å; L101-I138 PolarHBondContact N-O 3.42Å; I138-L231 HydrophobicContact CD1-CD2 4.24Å; I138-L231 HydrophobicContact CG1-CB 4.3Å; I138-L231 HydrophobicContact CG1-CD2 3.99Å; I138-L231 HydrophobicContact CG1-CG 4.44Å; I138-G232 WeakPolarHBondContact CA-O 3.43Å; I138-N234 HydrophobicContact CG2-CB 4.09Å; I138-F281 HydrophobicContact CD1-CD1 4.35Å; I138-F281 HydrophobicContact CD1-CE1 3.66Å; I138-F281 HydrophobicContact CD1-CZ 3.8Å; I138-F281 HydrophobicContact CG1-CE1 4.27Å; I138-F281 HydrophobicContact CG1-CE2 4.34Å; I138-F281 HydrophobicContact CG1-CZ 4.01Å; I138-F281 HydrophobicContact CG2-CD1 4.4Å; I138-F281 HydrophobicContact CG2-CD2 4.39Å; I138-F281 HydrophobicContact CG2-CG 4.28Å; I138-F370 HydrophobicContact CD1-CD2 4.39Å; I138-F370 HydrophobicContact CD1-CE1 4.22Å; I138-F370 HydrophobicContact CD1-CE2 3.95Å; I138-F370 HydrophobicContact CD1-CZ 3.89Å
139	I	98.8	Very high	95.8	Very high	1 Å²	1	21.5 Å²	21.5	1%	0.005	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	123.5	177.2	-61.2	-178.3	0	0	0	108.3	F103 I127 I137 T220 F224 V230 G232 Y233 N234	F103-I139 HydrophobicContact CB-CG2 3.53Å; F103-I139 HydrophobicContact CD1-CG2 4.2Å; F103-I139 HydrophobicContact CG-CG2 4.25Å; I127-I139 HydrophobicContact CD1-CD1 4.13Å; I137-I139 HydrophobicContact CG2-CG1 3.93Å; I139-T220 HydrophobicContact CD1-CG2 3.98Å; I139-T220 HydrophobicContact CG2-CG2 3.98Å; I139-F224 HydrophobicContact CD1-CB 4.02Å; I139-F224 HydrophobicContact CD1-CD2 3.53Å; I139-F224 HydrophobicContact CD1-CE2 4.26Å; I139-F224 HydrophobicContact CD1-CG 4Å; I139-V230 HydrophobicContact CD1-CG1 4.1Å; I139-V230 HydrophobicContact CD1-CG2 4.36Å; I139-V230 HydrophobicContact CG1-CG1 4.31Å; I139-G232 PolarHBondContact N-O 3.04Å; I139-Y233 HydrophobicContact CB-CD1 4.2Å; I139-Y233 HydrophobicContact CD1-CD1 4.47Å; I139-Y233 HydrophobicContact CD1-CE1 4.14Å; I139-Y233 CarbonylContact O-C 3.56Å; I139-N234 PolarHBondContact O-N 3.1Å
140	D	98.6	Very high	95.7	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	132	-172	-177.5	45	0	0	0	112.9	R100 L101 F103 H142 N234	R100-D140 HydrophobicContact CG-CB 3.97Å; R100-D140 VanDerWaalsContact CZ-CG 3.43Å; R100-D140 IonicContact CZ-OD1 3.65Å; R100-D140 IonicContact CZ-OD2 3.22Å; R100-D140 VanDerWaalsContact CZ-OD2 3.3Å; R100-D140 IonicContact NE-OD1 2.64Å; R100-D140 IonicContact NE-OD2 2.69Å; R100-D140 IonicContact NH1-OD2 2.69Å; R100-D140 PolarHBondContact NH1-OD2 3.46Å; R100-D140 IonicContact NH2-OD1 2.63Å; R100-D140 PolarHBondContact NH2-OD1 3.25Å; R100-D140 IonicContact NH2-OD2 2.86Å; R100-D140 PolarHBondContact NH2-OD2 2.96Å; L101-D140 PolarHBondContact O-N 3.05Å; F103-D140 PolarHBondContact N-O 3.09Å; D140-H142 PolarHBondContact O-N 2.9Å; D140-H142 VanDerWaalsContact OD2-CB 3.3Å; D140-H142 WeakPolarHBondContact OD2-CB 3.47Å; D140-H142 IonicContact OD2-CE1 3.71Å; D140-H142 IonicContact OD2-CG 3.48Å; D140-H142 IonicContact OD2-ND1 3.24Å; D140-H142 PolarHBondContact OD2-ND1 2.92Å; D140-N234 HydrophobicContact CB-CB 4.32Å; D140-N234 WeakPolarHBondContact OD1-CB 3.39Å; D140-N234 PolarHBondContact OD1-ND2 2.95Å
141	L	98.2	Very high	95.6	Very high	5 Å²	5	22.9 Å²	22.9	3%	0.026	12%	0.122	C	C	.	.			trans	-90.8	90.3	165	179.5	61.7	0	0	0	109.5	W105 F213 Y216 W217 N234 L235 I236 N237	W105-L141 HydrophobicContact CB-CD1 4.21Å; W105-L141 HydrophobicContact CE3-CD1 4.01Å; W105-L141 HydrophobicContact CE3-CD2 4.4Å; L141-F213 HydrophobicContact CD2-CD1 3.79Å; L141-F213 HydrophobicContact CD2-CE1 3.66Å; L141-Y216 HydrophobicContact CB-CE1 4.25Å; L141-Y216 HydrophobicContact CD1-CE1 4.19Å; L141-Y216 HydrophobicContact CD1-CE2 3.97Å; L141-Y216 HydrophobicContact CD2-CE1 4.46Å; L141-W217 HydrophobicContact CB-CZ2 3.99Å; L141-N234 PolarHBondContact N-O 3.33Å; L141-L235 WeakPolarHBondContact CD2-O 3.41Å; L141-I236 WeakPolarHBondContact O-CA 3.04Å; L141-N237 PolarHBondContact O-N 3.27Å
142	H	96.5	Very high	95.4	Very high	6 Å²	6	23.1 Å²	23.1	3%	0.028	12%	0.123	C	C	.	.			trans	-88.1	118.8	-172.4	-152.4	86.9	0	0	0	112.2	V71 E102 D140 D144 A155 N237 E373 W408	V71-H142 HydrophobicContact CG1-CB 4.23Å; E102-H142 HydrophobicContact CG-CB 4Å; D140-H142 PolarHBondContact O-N 2.9Å; D140-H142 VanDerWaalsContact OD2-CB 3.3Å; D140-H142 WeakPolarHBondContact OD2-CB 3.47Å; D140-H142 IonicContact OD2-CE1 3.71Å; D140-H142 IonicContact OD2-CG 3.48Å; D140-H142 IonicContact OD2-ND1 3.24Å; D140-H142 PolarHBondContact OD2-ND1 2.92Å; H142-D144 IonicContact CD2-OD1 3.55Å; H142-D144 IonicContact NE2-OD1 2.78Å; H142-D144 PolarHBondContact NE2-OD1 3.18Å; H142-D144 IonicContact NE2-OD2 3.98Å; H142-A155 WeakPolarHBondContact O-CB 3.45Å; H142-N237 HydrophobicContact CB-CB 4.48Å; H142-N237 VanDerWaalsContact CE1-CG 3.44Å; H142-N237 PolarHBondContact CE1-ND2 3.38Å; H142-N237 PolarHBondContact NE2-ND2 2.85Å; H142-E373 IonicContact CE1-OE1 3.4Å; H142-E373 PolarHBondContact CE1-OE1 2.9Å; H142-W408 AromaticContact CE1-CH2 3.47Å; H142-W408 VanDerWaalsContact CE1-CH2 3.47Å; H142-W408 WeakPolarHBondContact CE1-CH2 3.37Å; H142-W408 AromaticContact CE1-CZ3 3.32Å; H142-W408 WeakPolarHBondContact CE1-CZ3 3.42Å; H142-W408 AromaticContact NE2-CH2 3.33Å; H142-W408 VanDerWaalsContact NE2-CH2 3.33Å; H142-W408 WeakPolarHBondContact NE2-CH2 3.35Å; H142-W408 AromaticContact NE2-CZ3 3.73Å
143	Q	92	Very high	95.3	Very high	4 Å²	4	21 Å²	21	2%	0.019	11%	0.111	C	C	.	.			trans	-107.9	-36.5	-170.7	67.5	73.4	24.1	0	0	118.2	G145 L146 A155 Y190 I236 N237 E238	Q143-G145 PolarHBondContact O-N 2.86Å; Q143-G145 VanDerWaalsContact O-N 3.14Å; Q143-L146 HydrophobicContact CB-CD1 4.47Å; Q143-L146 WeakPolarHBondContact O-CA 3.29Å; Q143-L146 PolarHBondContact O-N 2.83Å; Q143-A155 HydrophobicContact CB-CB 4.13Å; Q143-A155 WeakPolarHBondContact O-CB 3.34Å; Q143-Y190 PolarHBondContact NE2-OH 2.88Å; Q143-Y190 PolarHBondContact OE1-OH 2.93Å; Q143-I236 HydrophobicContact CG-CD1 4.14Å; Q143-I236 HydrophobicContact CG-CG1 3.87Å; Q143-N237 VanDerWaalsContact CG-O 3.24Å; Q143-N237 WeakPolarHBondContact CG-O 3.35Å; Q143-N237 PolarHBondContact NE2-O 3.18Å; Q143-E238 PolarHBondContact NE2-O 2.98Å; Q143-E238 VanDerWaalsContact NE2-O 3.08Å
144	D	90	Very high	95.3	Very high	15 Å²	15	18.8 Å²	18.8	8%	0.08	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	34	58.9	176.7	-82.3	28.8	0	0	0	117.2	K73 H142 A152 W186 N237	K73-D144 WeakPolarHBondContact CE-OD2 3.47Å; K73-D144 IonicContact NZ-OD2 3.36Å; K73-D144 PolarHBondContact NZ-OD2 3.05Å; H142-D144 IonicContact CD2-OD1 3.55Å; H142-D144 IonicContact NE2-OD1 2.78Å; H142-D144 PolarHBondContact NE2-OD1 3.18Å; H142-D144 IonicContact NE2-OD2 3.98Å; D144-A152 WeakPolarHBondContact O-CB 3.42Å; D144-W186 HydrophobicContact CB-CH2 4.18Å; D144-W186 HydrophobicContact CB-CZ3 4.3Å; D144-N237 PolarHBondContact OD1-ND2 3Å; D144-N237 VanDerWaalsContact OD1-ND2 3.11Å
145	G	93.3	Very high	95.4	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.2	9.6	180	0	0	0	0	0	114	Q143 S147 A152 Y190	Q143-G145 PolarHBondContact O-N 2.86Å; Q143-G145 VanDerWaalsContact O-N 3.14Å; G145-S147 PolarHBondContact O-N 2.85Å; G145-A152 VanDerWaalsContact CA-CB 3.46Å; G145-A152 WeakPolarHBondContact O-CB 3.44Å; G145-Y190 VanDerWaalsContact N-CZ 3.34Å; G145-Y190 PolarHBondContact N-OH 3.38Å
146	L	96	Very high	95.5	Very high	1 Å²	1	17.9 Å²	17.9	1%	0.005	9%	0.093	C	C	.	.	S	Bend	trans	69.6	-50.5	171.1	-168.3	74.5	0	0	0	115.4	Q143 L150 I153 A155 V156 M161 A198 F199 I202	Q143-L146 HydrophobicContact CB-CD1 4.47Å; Q143-L146 WeakPolarHBondContact O-CA 3.29Å; Q143-L146 PolarHBondContact O-N 2.83Å; L146-L150 HydrophobicContact CB-CD1 4.13Å; L146-L150 HydrophobicContact CD2-CD1 4.1Å; L146-I153 CarbonylContact C-O 3.52Å; L146-A155 PolarHBondContact O-N 3.1Å; L146-V156 HydrophobicContact CD1-CB 4.47Å; L146-V156 HydrophobicContact CD1-CG1 3.59Å; L146-V156 HydrophobicContact CD1-CG2 4Å; L146-V156 HydrophobicContact CG-CG1 4.44Å; L146-V156 HydrophobicContact CG-CG2 3.95Å; L146-V156 PolarHBondContact O-N 3.49Å; L146-M161 HydrophobicContact CD2-CE 4.27Å; L146-M161 HydrophobicContact CD2-SD 3.8Å; L146-M161 HydrophobicContact CG-SD 4.07Å; L146-A198 HydrophobicContact CD2-CB 4.12Å; L146-F199 HydrophobicContact CB-CE1 4.48Å; L146-F199 HydrophobicContact CB-CE2 4.18Å; L146-F199 HydrophobicContact CB-CZ 3.74Å; L146-F199 HydrophobicContact CD1-CE1 4.45Å; L146-F199 HydrophobicContact CD1-CZ 4.5Å; L146-F199 HydrophobicContact CD2-CZ 4.35Å; L146-F199 HydrophobicContact CG-CZ 4.44Å; L146-I202 HydrophobicContact CD1-CD1 4.24Å; L146-I202 HydrophobicContact CD2-CD1 3.95Å
147	S	96.1	Very high	95.5	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.091	C	C	.	.			trans	-157	152.4	-174.4	-179.3	0	0	0	0	115	G145 R149 L150 A152 I153 D154	G145-S147 PolarHBondContact O-N 2.85Å; S147-R149 PolarHBondContact O-N 2.67Å; S147-R149 PolarHBondContact OG-N 3.21Å; S147-R149 VanDerWaalsContact OG-N 3.1Å; S147-L150 WeakPolarHBondContact O-CA 3.5Å; S147-L150 WeakPolarHBondContact O-CB 3.49Å; S147-L150 PolarHBondContact O-N 3.2Å; S147-A152 PolarHBondContact O-N 3.48Å; S147-I153 WeakPolarHBondContact CA-O 3.36Å; S147-I153 PolarHBondContact N-O 2.73Å; S147-D154 WeakPolarHBondContact CA-OD1 3.29Å; S147-D154 PolarHBondContact OG-OD1 3.26Å
148	K	94.5	Very high	95.4	Very high	129 Å²	129	23.3 Å²	23.3	56%	0.561	12%	0.115	S	C	*	.	G	3₁₀ helix	trans	-56	-27.4	164.3	-74.9	-177.5	-160.8	161.2	0	113.8	L150 G151 A152 D154	K148-L150 PolarHBondContact O-N 2.96Å; K148-L150 VanDerWaalsContact O-N 3.13Å; K148-G151 PolarHBondContact O-N 3.12Å; K148-A152 WeakPolarHBondContact CA-O 3.32Å; K148-A152 WeakPolarHBondContact CG-O 3.13Å; K148-A152 PolarHBondContact N-O 3.23Å; K148-D154 WeakPolarHBondContact CB-OD1 3.16Å; K148-D154 WeakPolarHBondContact CD-OD2 3.28Å; K148-D154 WeakPolarHBondContact CE-OD2 3.39Å; K148-D154 WeakPolarHBondContact CG-OD2 3.41Å; K148-D154 PolarHBondContact N-OD1 3.49Å; K148-D154 IonicContact NZ-OD2 2.89Å
149	R	95.4	Very high	95.3	Very high	48 Å²	48	24.5 Å²	24.5	18%	0.181	12%	0.12	C	C	.	.	G	3₁₀ helix	trans	-57.8	-24.3	171.4	174.5	173.3	158.3	-157.9	-19.6	112.2	S147 M161 I164 E194	S147-R149 PolarHBondContact O-N 2.67Å; S147-R149 PolarHBondContact OG-N 3.21Å; S147-R149 VanDerWaalsContact OG-N 3.1Å; R149-M161 PolarHBondContact NH1-O 2.8Å; R149-I164 PolarHBondContact NH1-O 3.14Å; R149-I164 PolarHBondContact NH2-O 2.87Å; R149-E194 IonicContact CZ-OE1 2.87Å; R149-E194 IonicContact NE-OE1 3.98Å; R149-E194 PolarHBondContact NE-OE1 3.22Å; R149-E194 IonicContact NH2-OE1 2.66Å; R149-E194 PolarHBondContact NH2-OE1 3.03Å
150	L	96.2	Very high	95.3	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.119	C	C	.	.	G	3₁₀ helix	trans	-105.5	16.1	179.4	-51.9	176.9	0	0	0	112.1	L146 S147 K148 A152 M161 Y173 T189 E194 A198	L146-L150 HydrophobicContact CB-CD1 4.13Å; L146-L150 HydrophobicContact CD2-CD1 4.1Å; S147-L150 WeakPolarHBondContact O-CA 3.5Å; S147-L150 WeakPolarHBondContact O-CB 3.49Å; S147-L150 PolarHBondContact O-N 3.2Å; K148-L150 PolarHBondContact O-N 2.96Å; K148-L150 VanDerWaalsContact O-N 3.13Å; L150-A152 PolarHBondContact O-N 2.59Å; L150-M161 HydrophobicContact CD1-CE 4.17Å; L150-M161 HydrophobicContact CG-CE 4.24Å; L150-Y173 VanDerWaalsContact C-CD2 3.44Å; L150-Y173 VanDerWaalsContact C-CE2 3.48Å; L150-Y173 VanDerWaalsContact O-CD2 3.26Å; L150-Y173 WeakPolarHBondContact O-CD2 3.25Å; L150-Y173 WeakPolarHBondContact O-CE2 2.94Å; L150-T189 WeakPolarHBondContact O-CB 3.3Å; L150-T189 WeakPolarHBondContact O-CG2 3.26Å; L150-E194 HydrophobicContact CD2-CB 3.99Å; L150-E194 HydrophobicContact CD2-CG 3.62Å; L150-A198 HydrophobicContact CD1-CB 4.16Å
151	G	93.5	Very high	95.2	Very high	32 Å²	32	24.6 Å²	24.6	33%	0.33	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	75	7.9	-177	0	0	0	0	0	115.3	K148 Y173 T189	K148-G151 PolarHBondContact O-N 3.12Å; G151-Y173 VanDerWaalsContact CA-CZ 3.45Å; G151-Y173 WeakPolarHBondContact CA-OH 3.24Å; G151-T189 WeakPolarHBondContact O-CG2 3.46Å
152	A	93.2	Very high	95.1	Very high	11 Å²	11	30.4 Å²	30.4	9%	0.091	15%	0.151	C	C	.	.	S	Bend	trans	-104.2	-168.3	-178	0	0	0	0	0	112	D144 G145 S147 K148 L150	D144-A152 WeakPolarHBondContact O-CB 3.42Å; G145-A152 VanDerWaalsContact CA-CB 3.46Å; G145-A152 WeakPolarHBondContact O-CB 3.44Å; S147-A152 PolarHBondContact O-N 3.48Å; K148-A152 WeakPolarHBondContact CA-O 3.32Å; K148-A152 WeakPolarHBondContact CG-O 3.13Å; K148-A152 PolarHBondContact N-O 3.23Å; L150-A152 PolarHBondContact O-N 2.59Å
153	I	91.2	Very high	95.2	Very high	79 Å²	79	33.2 Å²	33.2	41%	0.405	16%	0.163	S	C	.	.			trans	-83.6	149	171.6	-59.8	171.7	0	0	0	108.5	K73 L146 S147 A155	K73-I153 HydrophobicContact CB-CG2 3.91Å; K73-I153 HydrophobicContact CD-CD1 3.95Å; L146-I153 CarbonylContact C-O 3.52Å; S147-I153 WeakPolarHBondContact CA-O 3.36Å; S147-I153 PolarHBondContact N-O 2.73Å; I153-A155 PolarHBondContact O-N 2.95Å
154	D	94.1	Very high	95.5	Very high	14 Å²	14	33.1 Å²	33.1	8%	0.075	16%	0.163	C	C	.	.			trans	-72.9	120.3	173.4	-63.5	-57.5	0	0	0	110.1	I106 S147 K148 Y158	I106-D154 HydrophobicContact CD1-CB 3.4Å; I106-D154 VanDerWaalsContact CD1-CB 3.4Å; I106-D154 WeakPolarHBondContact CD1-O 3.22Å; S147-D154 WeakPolarHBondContact CA-OD1 3.29Å; S147-D154 PolarHBondContact OG-OD1 3.26Å; K148-D154 WeakPolarHBondContact CB-OD1 3.16Å; K148-D154 WeakPolarHBondContact CD-OD2 3.28Å; K148-D154 WeakPolarHBondContact CE-OD2 3.39Å; K148-D154 WeakPolarHBondContact CG-OD2 3.41Å; K148-D154 PolarHBondContact N-OD1 3.49Å; K148-D154 IonicContact NZ-OD2 2.89Å; D154-Y158 VanDerWaalsContact OD1-CE1 3.31Å; D154-Y158 WeakPolarHBondContact OD1-CE1 3.36Å; D154-Y158 WeakPolarHBondContact OD2-CE1 3.32Å; D154-Y158 PolarHBondContact OD2-OH 2.74Å
155	A	95.5	Very high	95.8	Very high	6 Å²	6	40.4 Å²	40.4	5%	0.05	19%	0.194	C	C	.	.			trans	-113.2	-24.3	169.6	0	0	0	0	0	113.3	H142 Q143 L146 I153	H142-A155 WeakPolarHBondContact O-CB 3.45Å; Q143-A155 HydrophobicContact CB-CB 4.13Å; Q143-A155 WeakPolarHBondContact O-CB 3.34Å; L146-A155 PolarHBondContact O-N 3.1Å; I153-A155 PolarHBondContact O-N 2.95Å
156	V	97.7	Very high	96	Very high	4 Å²	4	45.5 Å²	45.5	2%	0.024	21%	0.213	C	C	.	.	S	Bend	trans	-111.2	150.7	172.7	-57.5	0	0	0	0	110.3	W105 L146 F160 M161	W105-V156 HydrophobicContact CD2-CG1 4.39Å; W105-V156 HydrophobicContact CE3-CB 4.23Å; W105-V156 HydrophobicContact CE3-CG1 3.57Å; W105-V156 HydrophobicContact CZ3-CG1 3.89Å; L146-V156 HydrophobicContact CD1-CB 4.47Å; L146-V156 HydrophobicContact CD1-CG1 3.59Å; L146-V156 HydrophobicContact CD1-CG2 4Å; L146-V156 HydrophobicContact CG-CG1 4.44Å; L146-V156 HydrophobicContact CG-CG2 3.95Å; L146-V156 PolarHBondContact O-N 3.49Å; V156-F160 HydrophobicContact CB-CD1 3.76Å; V156-F160 HydrophobicContact CB-CE1 4.36Å; V156-F160 HydrophobicContact CB-CG 4.46Å; V156-F160 HydrophobicContact CG1-CD1 4.24Å; V156-F160 HydrophobicContact CG1-CE1 4.37Å; V156-F160 HydrophobicContact CG2-CD1 3.57Å; V156-F160 HydrophobicContact CG2-CE1 4.14Å; V156-M161 HydrophobicContact CG2-CG 3.83Å; V156-M161 HydrophobicContact CG2-SD 3.72Å
157	P	97.3	Very high	96.1	Very high	3 Å²	3	45.9 Å²	45.9	2%	0.019	22%	0.215	C	C	.	.			trans	-59.8	147.6	176.6	-22.3	31.5	0	0	0	113	W105 K109 W159 F160 M161	W105-P157 HydrophobicContact CG-CG 4.17Å; K109-P157 HydrophobicContact CB-CG 4.28Å; K109-P157 WeakPolarHBondContact O-CG 3.47Å; P157-W159 HydrophobicContact CB-CD2 4.11Å; P157-W159 VanDerWaalsContact CB-CE2 3.49Å; P157-W159 HydrophobicContact CB-CG 4.03Å; P157-W159 HydrophobicContact CB-CZ2 4.04Å; P157-W159 HydrophobicContact CG-CZ2 3.77Å; P157-W159 PolarHBondContact O-N 2.97Å; P157-F160 WeakPolarHBondContact O-CB 3.26Å; P157-F160 PolarHBondContact O-N 2.88Å; P157-M161 PolarHBondContact O-N 3.47Å
158	Y	96.1	Very high	96.1	Very high	131 Å²	131	49.8 Å²	49.8	51%	0.514	24%	0.241	S	C	.	.	H	α-helix	trans	-56.5	-38.6	177.6	-65.3	-61.6	0	0	0	113	D154 F160 M161 D162	D154-Y158 VanDerWaalsContact OD1-CE1 3.31Å; D154-Y158 WeakPolarHBondContact OD1-CE1 3.36Å; D154-Y158 WeakPolarHBondContact OD2-CE1 3.32Å; D154-Y158 PolarHBondContact OD2-OH 2.74Å; Y158-F160 PolarHBondContact O-N 3.35Å; Y158-M161 WeakPolarHBondContact O-CB 3.49Å; Y158-M161 PolarHBondContact O-N 3.11Å; Y158-D162 PolarHBondContact O-N 2.72Å; Y158-D162 VanDerWaalsContact O-N 3.09Å
159	W	97.6	Very high	96.3	Very high	26 Å²	26	53.1 Å²	53.1	10%	0.098	25%	0.251	C	S	.	.	H	α-helix	trans	-62	-27.4	178.4	64.3	-104.2	0	0	0	112.7	K109 H111 E112 P157 Y212	K109-W159 HydrophobicContact CB-CZ2 3.79Å; K109-W159 HydrophobicContact CG-CZ2 4.49Å; K109-W159 PolarHBondContact O-NE1 3.05Å; H111-W159 VanDerWaalsContact C-NE1 3.3Å; E112-W159 HydrophobicContact CB-CD2 3.72Å; E112-W159 HydrophobicContact CB-CE3 3.79Å; E112-W159 HydrophobicContact CB-CG 4.05Å; E112-W159 HydrophobicContact CB-CZ3 4.4Å; E112-W159 HydrophobicContact CG-CD2 4.33Å; E112-W159 HydrophobicContact CG-CE3 3.88Å; E112-W159 HydrophobicContact CG-CZ3 4.13Å; P157-W159 HydrophobicContact CB-CD2 4.11Å; P157-W159 VanDerWaalsContact CB-CE2 3.49Å; P157-W159 HydrophobicContact CB-CG 4.03Å; P157-W159 HydrophobicContact CB-CZ2 4.04Å; P157-W159 HydrophobicContact CG-CZ2 3.77Å; P157-W159 PolarHBondContact O-N 2.97Å; W159-Y212 AromaticContact CH2-CD1 3.93Å; W159-Y212 HydrophobicContact CH2-CD1 3.93Å; W159-Y212 AromaticContact CZ3-CD1 3.49Å; W159-Y212 HydrophobicContact CZ3-CD1 3.49Å; W159-Y212 VanDerWaalsContact CZ3-CD1 3.49Å; W159-Y212 AromaticContact CZ3-CE1 3.82Å; W159-Y212 HydrophobicContact CZ3-CE1 3.82Å; W159-Y212 HydrophobicContact CZ3-CG 4.17Å
160	F	98	Very high	96.3	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-73.2	-42.6	175	170.1	-94.7	0	0	0	110.2	W105 V156 P157 Y158 D162 K163 I164 I202 L209 Y212 F213	W105-F160 AromaticContact CH2-CD2 3.96Å; W105-F160 HydrophobicContact CH2-CD2 3.96Å; W105-F160 AromaticContact CH2-CE2 3.86Å; W105-F160 HydrophobicContact CH2-CE2 3.86Å; W105-F160 HydrophobicContact CH2-CG 4.45Å; W105-F160 HydrophobicContact CH2-CZ 4.27Å; W105-F160 HydrophobicContact CZ2-CD2 4.16Å; W105-F160 HydrophobicContact CZ2-CE2 4.47Å; V156-F160 HydrophobicContact CB-CD1 3.76Å; V156-F160 HydrophobicContact CB-CE1 4.36Å; V156-F160 HydrophobicContact CB-CG 4.46Å; V156-F160 HydrophobicContact CG1-CD1 4.24Å; V156-F160 HydrophobicContact CG1-CE1 4.37Å; V156-F160 HydrophobicContact CG2-CD1 3.57Å; V156-F160 HydrophobicContact CG2-CE1 4.14Å; P157-F160 WeakPolarHBondContact O-CB 3.26Å; P157-F160 PolarHBondContact O-N 2.88Å; Y158-F160 PolarHBondContact O-N 3.35Å; F160-D162 PolarHBondContact O-N 3.28Å; F160-K163 WeakPolarHBondContact O-CB 3.46Å; F160-K163 PolarHBondContact O-N 3.34Å; F160-I164 HydrophobicContact CE1-CD1 3.91Å; F160-I164 HydrophobicContact CZ-CD1 4.36Å; F160-I202 HydrophobicContact CE1-CD1 4.36Å; F160-I202 HydrophobicContact CZ-CD1 4.36Å; F160-I202 HydrophobicContact CZ-CG1 4.28Å; F160-L209 HydrophobicContact CD2-CD2 4.33Å; F160-L209 HydrophobicContact CE2-CD2 3.6Å; F160-L209 HydrophobicContact CZ-CD2 3.79Å; F160-Y212 HydrophobicContact CD2-CD2 4.13Å; F160-Y212 HydrophobicContact CD2-CG 4.04Å; F160-Y212 HydrophobicContact CE2-CD2 4.13Å; F160-Y212 HydrophobicContact CE2-CG 4.31Å; F160-F213 HydrophobicContact CE2-CD2 4.38Å; F160-F213 HydrophobicContact CE2-CE2 4.08Å; F160-F213 HydrophobicContact CZ-CD2 4.33Å; F160-F213 AromaticContact CZ-CE2 3.6Å; F160-F213 HydrophobicContact CZ-CE2 3.6Å; F160-F213 HydrophobicContact CZ-CZ 4.25Å
161	M	97.4	Very high	96.4	Very high	3 Å²	3	58.1 Å²	58.1	2%	0.015	28%	0.284	C	S	.	.	H	α-helix	trans	-59.9	-31.9	174.6	-69.2	-57.3	-63.1	0	0	112.4	L146 R149 L150 V156 P157 Y158 K163 I164	L146-M161 HydrophobicContact CD2-CE 4.27Å; L146-M161 HydrophobicContact CD2-SD 3.8Å; L146-M161 HydrophobicContact CG-SD 4.07Å; R149-M161 PolarHBondContact NH1-O 2.8Å; L150-M161 HydrophobicContact CD1-CE 4.17Å; L150-M161 HydrophobicContact CG-CE 4.24Å; V156-M161 HydrophobicContact CG2-CG 3.83Å; V156-M161 HydrophobicContact CG2-SD 3.72Å; P157-M161 PolarHBondContact O-N 3.47Å; Y158-M161 WeakPolarHBondContact O-CB 3.49Å; Y158-M161 PolarHBondContact O-N 3.11Å; M161-K163 PolarHBondContact O-N 3.2Å; M161-I164 HydrophobicContact CE-CD1 4.34Å; M161-I164 WeakPolarHBondContact O-CB 3.46Å; M161-I164 PolarHBondContact O-N 3.49Å; M161-I164 VanDerWaalsContact O-N 3.07Å; M161-I164 HydrophobicContact SD-CD1 4.02Å
162	D	96.7	Very high	96.6	Very high	127 Å²	127	58.1 Å²	58.1	68%	0.679	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-22.3	175.6	-67.7	-25.7	0	0	0	113.4	Y158 F160 I164	Y158-D162 PolarHBondContact O-N 2.72Å; Y158-D162 VanDerWaalsContact O-N 3.09Å; F160-D162 PolarHBondContact O-N 3.28Å; D162-I164 VanDerWaalsContact C-N 3.28Å
163	K	97.4	Very high	96.8	Very high	64 Å²	64	59.3 Å²	59.3	28%	0.278	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-19.2	173.6	-48.8	-57	-179.5	172.8	0	112.3	E112 F160 M161 K165 L209 Y212	E112-K163 VanDerWaalsContact OE1-CE 3.28Å; E112-K163 WeakPolarHBondContact OE1-CE 3.33Å; E112-K163 IonicContact OE1-NZ 3.54Å; E112-K163 PolarHBondContact OE1-NZ 2.78Å; E112-K163 WeakPolarHBondContact OE2-CE 3.4Å; E112-K163 IonicContact OE2-NZ 3.48Å; E112-K163 PolarHBondContact OE2-NZ 3.34Å; F160-K163 WeakPolarHBondContact O-CB 3.46Å; F160-K163 PolarHBondContact O-N 3.34Å; M161-K163 PolarHBondContact O-N 3.2Å; K163-K165 PolarHBondContact O-N 3.09Å; K163-L209 HydrophobicContact CB-CD2 3.99Å; K163-Y212 HydrophobicContact CB-CE2 4.32Å; K163-Y212 WeakPolarHBondContact CE-OH 3.29Å; K163-Y212 HydrophobicContact CG-CE2 4.01Å
164	I	97.8	Very high	97	Very high	2 Å²	2	57.5 Å²	57.5	1%	0.01	27%	0.272	C	S	.	.	S	Bend	trans	-87.3	103.2	177	-52.8	-178.1	0	0	0	109	R149 F160 M161 D162 R166 A198 I202 L209	R149-I164 PolarHBondContact NH1-O 3.14Å; R149-I164 PolarHBondContact NH2-O 2.87Å; F160-I164 HydrophobicContact CE1-CD1 3.91Å; F160-I164 HydrophobicContact CZ-CD1 4.36Å; M161-I164 HydrophobicContact CE-CD1 4.34Å; M161-I164 WeakPolarHBondContact O-CB 3.46Å; M161-I164 PolarHBondContact O-N 3.49Å; M161-I164 VanDerWaalsContact O-N 3.07Å; M161-I164 HydrophobicContact SD-CD1 4.02Å; D162-I164 VanDerWaalsContact C-N 3.28Å; I164-R166 PolarHBondContact O-N 3.46Å; I164-A198 HydrophobicContact CD1-CB 4.31Å; I164-A198 HydrophobicContact CG2-CB 4.33Å; I164-I202 HydrophobicContact CD1-CD1 4.38Å; I164-I202 HydrophobicContact CD1-CG1 4.31Å; I164-L209 HydrophobicContact CD1-CD1 4.46Å; I164-L209 HydrophobicContact CD1-CD2 4.48Å; I164-L209 HydrophobicContact CG1-CD1 3.91Å; I164-L209 HydrophobicContact CG1-CD2 3.74Å; I164-L209 HydrophobicContact CG1-CG 4.49Å
165	K	97	Very high	97.1	Very high	168 Å²	168	61.3 Å²	61.3	73%	0.73	29%	0.285	S	S	*	.	P	Polyproline II helix	trans	-51.8	125.9	175.3	-178	179	178.8	-179.7	0	110	K163 H197	K163-K165 PolarHBondContact O-N 3.09Å; K165-H197 PolarHBondContact O-NE2 3.25Å
166	R	97.5	Very high	97.2	Very high	108 Å²	108	63.9 Å²	63.9	41%	0.408	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-66.8	150.2	178.6	-42.2	-153.6	58.1	-178.5	-7.3	111.3	I164 E194	I164-R166 PolarHBondContact O-N 3.46Å; R166-E194 IonicContact CZ-OE1 3.22Å; R166-E194 IonicContact CZ-OE2 3.96Å; R166-E194 IonicContact NE-OE1 3.84Å; R166-E194 PolarHBondContact NE-OE1 2.96Å; R166-E194 IonicContact NE-OE2 3.41Å; R166-E194 IonicContact NH2-OE1 2.87Å; R166-E194 PolarHBondContact NH2-OE1 3.35Å; R166-E194 IonicContact NH2-OE2 3.87Å; R166-E194 PolarHBondContact NH2-OE2 3.22Å
167	P	97.4	Very high	97.1	Very high	8 Å²	8	66 Å²	66	5%	0.052	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-68.2	170.4	166.3	33.4	-37	0	0	0	110.9	F171 Q172 Y193 E194	P167-F171 HydrophobicContact CB-CB 4.34Å; P167-Q172 HydrophobicContact CG-CG 3.95Å; P167-Q172 PolarHBondContact O-NE2 3.12Å; P167-Y193 HydrophobicContact CB-CD1 3.89Å; P167-Y193 HydrophobicContact CB-CE1 3.6Å; P167-Y193 HydrophobicContact CG-CD1 4.11Å; P167-Y193 HydrophobicContact CG-CE1 4.3Å; P167-E194 HydrophobicContact CG-CB 4.11Å; P167-E194 HydrophobicContact CG-CG 3.92Å
168	P	97.6	Very high	96.8	Very high	82 Å²	82	72.4 Å²	72.4	53%	0.532	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-51.5	145.1	172.5	-23.8	33	0	0	0	111.5	S170 F171 Q172	P168-S170 PolarHBondContact O-N 3.42Å; P168-F171 HydrophobicContact CB-CD2 4.11Å; P168-F171 HydrophobicContact CG-CD2 4.23Å; P168-F171 PolarHBondContact O-N 2.75Å; P168-Q172 PolarHBondContact O-N 3.34Å
169	Y	97.4	Very high	96.6	Very high	200 Å²	200	73.8 Å²	73.8	78%	0.784	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-51.2	-38.7	-170.3	-179	-103.2	0	0	0	114.2	F171 Q172	Y169-F171 PolarHBondContact O-N 2.83Å; Y169-Q172 WeakPolarHBondContact O-CB 3.46Å; Y169-Q172 PolarHBondContact O-N 3.08Å
170	S	96.5	Very high	96.3	Very high	79 Å²	79	77.4 Å²	77.4	55%	0.552	38%	0.381	S	S	*	.	G	3₁₀ helix	trans	-66	-16.5	178.3	56.6	0	0	0	0	115.2	P168	P168-S170 PolarHBondContact O-N 3.42Å
171	F	97.1	Very high	96	Very high	74 Å²	74	79 Å²	79	33%	0.325	39%	0.391	S	S	.	.	G	3₁₀ helix	trans	-110.4	5.5	178	-61.7	-67	0	0	0	112.6	P167 P168 Y169 W175 Y193	P167-F171 HydrophobicContact CB-CB 4.34Å; P168-F171 HydrophobicContact CB-CD2 4.11Å; P168-F171 HydrophobicContact CG-CD2 4.23Å; P168-F171 PolarHBondContact O-N 2.75Å; Y169-F171 PolarHBondContact O-N 2.83Å; F171-W175 AromaticContact CD1-CD2 3.87Å; F171-W175 HydrophobicContact CD1-CD2 3.87Å; F171-W175 AromaticContact CD1-CE3 3.78Å; F171-W175 HydrophobicContact CD1-CE3 3.78Å; F171-W175 AromaticContact CD1-CH2 3.99Å; F171-W175 HydrophobicContact CD1-CH2 3.99Å; F171-W175 HydrophobicContact CD1-CZ2 4.08Å; F171-W175 AromaticContact CD1-CZ3 3.85Å; F171-W175 HydrophobicContact CD1-CZ3 3.85Å; F171-W175 AromaticContact CE1-CH2 3.97Å; F171-W175 HydrophobicContact CE1-CH2 3.97Å; F171-W175 AromaticContact CE1-CZ2 3.92Å; F171-W175 HydrophobicContact CE1-CZ2 3.92Å; F171-W175 HydrophobicContact CE1-CZ3 4.3Å; F171-Y193 HydrophobicContact CB-CD1 3.75Å; F171-Y193 HydrophobicContact CB-CE1 4.16Å; F171-Y193 HydrophobicContact CB-CG 4.01Å; F171-Y193 HydrophobicContact CD1-CD2 4.44Å
172	Q	97.7	Very high	95.6	Very high	31 Å²	31	83.6 Å²	83.6	15%	0.145	42%	0.416	C	S	.	.	S	Bend	trans	-70.5	158.8	172.5	-71.1	177.7	16.7	0	0	110	P167 P168 Y169 W175 E194	P167-Q172 HydrophobicContact CG-CG 3.95Å; P167-Q172 PolarHBondContact O-NE2 3.12Å; P168-Q172 PolarHBondContact O-N 3.34Å; Y169-Q172 WeakPolarHBondContact O-CB 3.46Å; Y169-Q172 PolarHBondContact O-N 3.08Å; Q172-W175 WeakPolarHBondContact O-CB 3.38Å; Q172-W175 PolarHBondContact O-N 2.97Å; Q172-E194 VanDerWaalsContact CA-OE2 3.27Å; Q172-E194 WeakPolarHBondContact CA-OE2 3.29Å; Q172-E194 VanDerWaalsContact CB-OE2 3.26Å; Q172-E194 WeakPolarHBondContact CB-OE2 3.23Å
173	Y	97	Very high	95.1	Very high	37 Å²	37	86.1 Å²	86.1	15%	0.145	42%	0.424	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.6	133.2	173.8	-177.5	-87.8	0	0	0	109.7	L150 G151 D180 P181 T189 T192 E194	L150-Y173 VanDerWaalsContact C-CD2 3.44Å; L150-Y173 VanDerWaalsContact C-CE2 3.48Å; L150-Y173 VanDerWaalsContact O-CD2 3.26Å; L150-Y173 WeakPolarHBondContact O-CD2 3.25Å; L150-Y173 WeakPolarHBondContact O-CE2 2.94Å; G151-Y173 VanDerWaalsContact CA-CZ 3.45Å; G151-Y173 WeakPolarHBondContact CA-OH 3.24Å; Y173-D180 WeakPolarHBondContact CE1-OD1 3.49Å; Y173-D180 PolarHBondContact OH-OD1 2.92Å; Y173-P181 WeakPolarHBondContact OH-CD 3.32Å; Y173-T189 HydrophobicContact CE2-CG2 4.21Å; Y173-T192 HydrophobicContact CD2-CG2 3.75Å; Y173-T192 HydrophobicContact CE2-CG2 3.83Å; Y173-E194 PolarHBondContact N-OE2 3.49Å
174	P	95.8	Very high	94.5	Very high	41 Å²	41	87.7 Å²	87.7	27%	0.266	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	cis	-94.2	9.1	15.5	36.1	-36.2	0	0	0	116.7	L177 T192	P174-L177 CarbonylContact C-O 3.48Å; P174-L177 HydrophobicContact CB-CB 4.26Å; P174-L177 WeakPolarHBondContact O-CA 3.4Å; P174-L177 WeakPolarHBondContact O-CB 3.31Å; P174-L177 PolarHBondContact O-N 3.1Å; P174-T192 WeakPolarHBondContact O-CG2 3.29Å
175	W	97.3	Very high	94.1	Very high	94 Å²	94	88.4 Å²	88.4	36%	0.356	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	135.4	-172.5	-171.4	94	0	0	0	113.5	F171 Q172 T192 Y193 Y245	F171-W175 AromaticContact CD1-CD2 3.87Å; F171-W175 HydrophobicContact CD1-CD2 3.87Å; F171-W175 AromaticContact CD1-CE3 3.78Å; F171-W175 HydrophobicContact CD1-CE3 3.78Å; F171-W175 AromaticContact CD1-CH2 3.99Å; F171-W175 HydrophobicContact CD1-CH2 3.99Å; F171-W175 HydrophobicContact CD1-CZ2 4.08Å; F171-W175 AromaticContact CD1-CZ3 3.85Å; F171-W175 HydrophobicContact CD1-CZ3 3.85Å; F171-W175 AromaticContact CE1-CH2 3.97Å; F171-W175 HydrophobicContact CE1-CH2 3.97Å; F171-W175 AromaticContact CE1-CZ2 3.92Å; F171-W175 HydrophobicContact CE1-CZ2 3.92Å; F171-W175 HydrophobicContact CE1-CZ3 4.3Å; Q172-W175 WeakPolarHBondContact O-CB 3.38Å; Q172-W175 PolarHBondContact O-N 2.97Å; W175-T192 WeakPolarHBondContact O-CA 3.48Å; W175-T192 WeakPolarHBondContact O-CB 3.44Å; W175-Y193 VanDerWaalsContact CE3-CB 3.45Å; W175-Y193 HydrophobicContact CE3-CD2 4.41Å; W175-Y193 HydrophobicContact CE3-CG 4.25Å; W175-Y193 AromaticContact CZ3-CD2 3.85Å; W175-Y193 HydrophobicContact CZ3-CD2 3.85Å; W175-Y193 HydrophobicContact CZ3-CG 4.14Å; W175-Y193 PolarHBondContact O-N 2.74Å; W175-Y245 AromaticContact CH2-CD1 3.98Å; W175-Y245 HydrophobicContact CH2-CD1 3.98Å; W175-Y245 AromaticContact CH2-CE1 3.77Å; W175-Y245 HydrophobicContact CH2-CE1 3.77Å; W175-Y245 AromaticContact CZ3-CD1 3.82Å; W175-Y245 HydrophobicContact CZ3-CD1 3.82Å; W175-Y245 AromaticContact CZ3-CE1 3.51Å; W175-Y245 HydrophobicContact CZ3-CE1 3.51Å; W175-Y245 HydrophobicContact CZ3-CE2 4.44Å; W175-Y245 HydrophobicContact CZ3-CG 4.41Å; W175-Y245 AromaticContact CZ3-CZ 3.86Å
176	P	96.7	Very high	93.7	Very high	59 Å²	59	84.8 Å²	84.8	38%	0.383	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	cis	-88.3	4.5	8.6	38.4	-39.2	0	0	0	114.6	Y245	P176-Y245 WeakPolarHBondContact CD-OH 3.46Å; P176-Y245 VanDerWaalsContact CG-OH 3.29Å; P176-Y245 WeakPolarHBondContact CG-OH 3.38Å
177	L	95.7	Very high	93.4	Very high	48 Å²	48	84.1 Å²	84.1	25%	0.251	43%	0.431	S	S	.	.	S	Bend	trans	-68.1	148.1	173.3	-47.7	175.6	0	0	0	109.1	P174 L188 T192	P174-L177 CarbonylContact C-O 3.48Å; P174-L177 HydrophobicContact CB-CB 4.26Å; P174-L177 WeakPolarHBondContact O-CA 3.4Å; P174-L177 WeakPolarHBondContact O-CB 3.31Å; P174-L177 PolarHBondContact O-N 3.1Å; L177-L188 HydrophobicContact CD1-CB 4.4Å; L177-T192 HydrophobicContact CD1-CG2 3.83Å; L177-T192 HydrophobicContact CG-CG2 4.11Å
178	T	91.5	Very high	93.2	Very high	139 Å²	139	87 Å²	87	85%	0.853	45%	0.445	S	S	*	.	S	Bend	trans	-89.7	-14.7	177.8	52.3	0	0	0	0	112.8
179	K	91.6	Very high	93.1	Very high	159 Å²	159	83 Å²	83	69%	0.691	42%	0.42	S	S	*	.	S	Bend	trans	-159.1	165.2	178.8	62.4	177.6	-176.8	177.4	0	109.7
180	D	92.1	Very high	93	Very high	103 Å²	103	75.3 Å²	75.3	55%	0.551	39%	0.39	S	S	*	.	P	Polyproline II helix	trans	-59.8	138	175	-57.4	-7.6	0	0	0	110.4	Y173	Y173-D180 WeakPolarHBondContact CE1-OD1 3.49Å; Y173-D180 PolarHBondContact OH-OD1 2.92Å
181	P	91.1	Very high	93	Very high	32 Å²	32	73.4 Å²	73.4	21%	0.208	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-64.5	158.1	172	28.7	-32.4	0	0	0	110.3	Y173 A185 L188 T189	Y173-P181 WeakPolarHBondContact OH-CD 3.32Å; P181-A185 HydrophobicContact CB-CB 4.18Å; P181-A185 VanDerWaalsContact CB-O 3.28Å; P181-A185 WeakPolarHBondContact CB-O 3.27Å; P181-L188 HydrophobicContact CB-CB 4.22Å; P181-L188 HydrophobicContact CB-CD1 4.37Å; P181-L188 HydrophobicContact CG-CB 4.39Å; P181-T189 HydrophobicContact CG-CG2 3.99Å
182	N	89.6	Confident	93	Very high	100 Å²	100	69.9 Å²	69.9	54%	0.535	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-69	167	169.7	63.4	4.7	0	0	0	110.4	S184 A185 W186	N182-S184 PolarHBondContact ND2-OG 3Å; N182-S184 PolarHBondContact O-N 2.73Å; N182-S184 PolarHBondContact OD1-OG 2.83Å; N182-A185 CarbonylContact O-C 3.42Å; N182-A185 PolarHBondContact O-N 2.95Å; N182-A185 WeakPolarHBondContact OD1-CB 3.16Å; N182-A185 PolarHBondContact OD1-N 2.8Å; N182-W186 PolarHBondContact O-N 3.28Å
183	Q	84.9	Confident	93	Very high	181 Å²	181	69.7 Å²	69.7	85%	0.846	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-57.3	-34.8	-178.3	-171	177.1	21.4	0	0	113	A185 W186	Q183-A185 VanDerWaalsContact C-N 3.3Å; Q183-A185 PolarHBondContact O-N 3.19Å; Q183-W186 VanDerWaalsContact O-CD1 3.23Å
184	S	84.7	Confident	93.1	Very high	96 Å²	96	68 Å²	68	67%	0.671	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-75.2	-16.4	178.4	59.4	0	0	0	0	114.1	N182	N182-S184 PolarHBondContact ND2-OG 3Å; N182-S184 PolarHBondContact O-N 2.73Å; N182-S184 PolarHBondContact OD1-OG 2.83Å
185	A	89.3	Confident	93.2	Very high	17 Å²	17	66 Å²	66	14%	0.14	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-113.8	24.1	176.4	0	0	0	0	0	112.2	P181 N182 Q183 F187 L188	P181-A185 HydrophobicContact CB-CB 4.18Å; P181-A185 VanDerWaalsContact CB-O 3.28Å; P181-A185 WeakPolarHBondContact CB-O 3.27Å; N182-A185 CarbonylContact O-C 3.42Å; N182-A185 PolarHBondContact O-N 2.95Å; N182-A185 WeakPolarHBondContact OD1-CB 3.16Å; N182-A185 PolarHBondContact OD1-N 2.8Å; Q183-A185 VanDerWaalsContact C-N 3.3Å; Q183-A185 PolarHBondContact O-N 3.19Å; A185-F187 HydrophobicContact CB-CE1 4.37Å; A185-F187 PolarHBondContact O-N 3.34Å; A185-F187 VanDerWaalsContact O-N 3.09Å; A185-L188 HydrophobicContact CB-CD1 3.78Å; A185-L188 HydrophobicContact CB-CG 4.14Å; A185-L188 VanDerWaalsContact O-CB 3.27Å; A185-L188 WeakPolarHBondContact O-CB 3.2Å; A185-L188 WeakPolarHBondContact O-CG 3.33Å; A185-L188 PolarHBondContact O-N 2.92Å
186	W	90.3	Very high	93.2	Very high	92 Å²	92	61.7 Å²	61.7	35%	0.348	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-53.4	-32	-179.5	73.3	-91.7	0	0	0	112.4	D144 N182 Q183 L188 T189 Y190	D144-W186 HydrophobicContact CB-CH2 4.18Å; D144-W186 HydrophobicContact CB-CZ3 4.3Å; N182-W186 PolarHBondContact O-N 3.28Å; Q183-W186 VanDerWaalsContact O-CD1 3.23Å; W186-L188 PolarHBondContact O-N 3.08Å; W186-L188 VanDerWaalsContact O-N 3.11Å; W186-T189 VanDerWaalsContact O-CB 3.28Å; W186-T189 WeakPolarHBondContact O-CB 3.41Å; W186-T189 WeakPolarHBondContact O-CG2 3.39Å; W186-T189 PolarHBondContact O-N 3.32Å; W186-T189 PolarHBondContact O-OG1 3.35Å; W186-Y190 HydrophobicContact CH2-CE2 4.01Å; W186-Y190 HydrophobicContact CZ3-CD2 4.47Å; W186-Y190 AromaticContact CZ3-CE2 3.65Å; W186-Y190 HydrophobicContact CZ3-CE2 3.65Å
187	F	90.4	Very high	93.3	Very high	95 Å²	95	60.6 Å²	60.6	42%	0.417	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-59.8	-21.1	177.5	63.9	-97	0	0	0	113.2	A185 T189 Y190	A185-F187 HydrophobicContact CB-CE1 4.37Å; A185-F187 PolarHBondContact O-N 3.34Å; A185-F187 VanDerWaalsContact O-N 3.09Å; F187-T189 PolarHBondContact O-N 3.48Å; F187-T189 VanDerWaalsContact O-N 3.14Å; F187-Y190 WeakPolarHBondContact O-CD2 3.36Å; F187-Y190 PolarHBondContact O-N 2.74Å; F187-Y190 VanDerWaalsContact O-N 3.15Å
188	L	93.6	Very high	93.4	Very high	67 Å²	67	58.3 Å²	58.3	35%	0.351	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-63.5	-15.5	173	-65.2	179.4	0	0	0	112.8	L177 P181 A185 W186 Y190 A191	L177-L188 HydrophobicContact CD1-CB 4.4Å; P181-L188 HydrophobicContact CB-CB 4.22Å; P181-L188 HydrophobicContact CB-CD1 4.37Å; P181-L188 HydrophobicContact CG-CB 4.39Å; A185-L188 HydrophobicContact CB-CD1 3.78Å; A185-L188 HydrophobicContact CB-CG 4.14Å; A185-L188 VanDerWaalsContact O-CB 3.27Å; A185-L188 WeakPolarHBondContact O-CB 3.2Å; A185-L188 WeakPolarHBondContact O-CG 3.33Å; A185-L188 PolarHBondContact O-N 2.92Å; W186-L188 PolarHBondContact O-N 3.08Å; W186-L188 VanDerWaalsContact O-N 3.11Å; L188-Y190 PolarHBondContact O-N 2.68Å; L188-A191 WeakPolarHBondContact O-CB 3.23Å; L188-A191 PolarHBondContact O-N 2.54Å
189	T	95.5	Very high	93.7	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-59.4	-33.3	172	56.3	0	0	0	0	112.5	L150 G151 Y173 P181 W186 F187 A191 T192 S195	L150-T189 WeakPolarHBondContact O-CB 3.3Å; L150-T189 WeakPolarHBondContact O-CG2 3.26Å; G151-T189 WeakPolarHBondContact O-CG2 3.46Å; Y173-T189 HydrophobicContact CE2-CG2 4.21Å; P181-T189 HydrophobicContact CG-CG2 3.99Å; W186-T189 VanDerWaalsContact O-CB 3.28Å; W186-T189 WeakPolarHBondContact O-CB 3.41Å; W186-T189 WeakPolarHBondContact O-CG2 3.39Å; W186-T189 PolarHBondContact O-N 3.32Å; W186-T189 PolarHBondContact O-OG1 3.35Å; F187-T189 PolarHBondContact O-N 3.48Å; F187-T189 VanDerWaalsContact O-N 3.14Å; T189-A191 PolarHBondContact O-N 3.32Å; T189-T192 WeakPolarHBondContact O-CB 3.4Å; T189-T192 WeakPolarHBondContact O-CG2 3.12Å; T189-T192 PolarHBondContact O-N 3.04Å; T189-T192 VanDerWaalsContact O-N 3.14Å; T189-T192 PolarHBondContact O-OG1 3.29Å; T189-S195 VanDerWaalsContact O-CB 3.27Å; T189-S195 WeakPolarHBondContact O-CB 3.47Å
190	Y	95.6	Very high	93.9	Very high	37 Å²	37	45 Å²	45	15%	0.145	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-65.2	-23.7	173.6	-69.2	-69.4	0	0	0	113.5	Q143 G145 W186 F187 L188 T192 F199 P240	Q143-Y190 PolarHBondContact NE2-OH 2.88Å; Q143-Y190 PolarHBondContact OE1-OH 2.93Å; G145-Y190 VanDerWaalsContact N-CZ 3.34Å; G145-Y190 PolarHBondContact N-OH 3.38Å; W186-Y190 HydrophobicContact CH2-CE2 4.01Å; W186-Y190 HydrophobicContact CZ3-CD2 4.47Å; W186-Y190 AromaticContact CZ3-CE2 3.65Å; W186-Y190 HydrophobicContact CZ3-CE2 3.65Å; F187-Y190 WeakPolarHBondContact O-CD2 3.36Å; F187-Y190 PolarHBondContact O-N 2.74Å; F187-Y190 VanDerWaalsContact O-N 3.15Å; L188-Y190 PolarHBondContact O-N 2.68Å; Y190-T192 PolarHBondContact O-N 2.98Å; Y190-F199 HydrophobicContact CD1-CE2 4.09Å; Y190-F199 AromaticContact CE1-CE2 3.96Å; Y190-F199 HydrophobicContact CE1-CE2 3.96Å; Y190-F199 AromaticContact CE1-CZ 3.99Å; Y190-F199 HydrophobicContact CE1-CZ 3.99Å; Y190-P240 HydrophobicContact CD1-CB 3.76Å; Y190-P240 HydrophobicContact CD1-CG 3.77Å; Y190-P240 HydrophobicContact CE1-CB 4.12Å; Y190-P240 HydrophobicContact CE1-CG 3.83Å; Y190-P240 HydrophobicContact CG-CB 4.5Å
191	A	95.3	Very high	94.2	Very high	39 Å²	39	40.4 Å²	40.4	32%	0.322	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-78.4	-4	177	0	0	0	0	0	112.7	L188 T189 Y245	L188-A191 WeakPolarHBondContact O-CB 3.23Å; L188-A191 PolarHBondContact O-N 2.54Å; T189-A191 PolarHBondContact O-N 3.32Å; A191-Y245 PolarHBondContact O-OH 2.75Å
192	T	97.8	Very high	94.5	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.2	C	C	.	.	S	Bend	trans	-80.1	150	179.4	66.7	0	0	0	0	112.2	Y173 P174 W175 L177 T189 Y190 E194 S195 A196	Y173-T192 HydrophobicContact CD2-CG2 3.75Å; Y173-T192 HydrophobicContact CE2-CG2 3.83Å; P174-T192 WeakPolarHBondContact O-CG2 3.29Å; W175-T192 WeakPolarHBondContact O-CA 3.48Å; W175-T192 WeakPolarHBondContact O-CB 3.44Å; L177-T192 HydrophobicContact CD1-CG2 3.83Å; L177-T192 HydrophobicContact CG-CG2 4.11Å; T189-T192 WeakPolarHBondContact O-CB 3.4Å; T189-T192 WeakPolarHBondContact O-CG2 3.12Å; T189-T192 PolarHBondContact O-N 3.04Å; T189-T192 VanDerWaalsContact O-N 3.14Å; T189-T192 PolarHBondContact O-OG1 3.29Å; Y190-T192 PolarHBondContact O-N 2.98Å; T192-E194 PolarHBondContact O-N 2.83Å; T192-S195 PolarHBondContact O-N 2.8Å; T192-S195 VanDerWaalsContact OG1-CB 3.28Å; T192-S195 WeakPolarHBondContact OG1-CB 3.47Å; T192-S195 PolarHBondContact OG1-N 2.93Å; T192-A196 PolarHBondContact O-N 2.91Å
193	Y	98.1	Very high	94.9	Very high	28 Å²	28	34.6 Å²	34.6	11%	0.11	18%	0.177	C	C	.	.	H	α-helix	trans	-63.4	-42	179.7	-175.5	-76.5	0	0	0	112	P167 F171 W175 S195 A196 H197 Y245	P167-Y193 HydrophobicContact CB-CD1 3.89Å; P167-Y193 HydrophobicContact CB-CE1 3.6Å; P167-Y193 HydrophobicContact CG-CD1 4.11Å; P167-Y193 HydrophobicContact CG-CE1 4.3Å; F171-Y193 HydrophobicContact CB-CD1 3.75Å; F171-Y193 HydrophobicContact CB-CE1 4.16Å; F171-Y193 HydrophobicContact CB-CG 4.01Å; F171-Y193 HydrophobicContact CD1-CD2 4.44Å; W175-Y193 VanDerWaalsContact CE3-CB 3.45Å; W175-Y193 HydrophobicContact CE3-CD2 4.41Å; W175-Y193 HydrophobicContact CE3-CG 4.25Å; W175-Y193 AromaticContact CZ3-CD2 3.85Å; W175-Y193 HydrophobicContact CZ3-CD2 3.85Å; W175-Y193 HydrophobicContact CZ3-CG 4.14Å; W175-Y193 PolarHBondContact O-N 2.74Å; Y193-S195 VanDerWaalsContact C-N 3.28Å; Y193-S195 PolarHBondContact O-N 3.48Å; Y193-A196 PolarHBondContact O-N 3.49Å; Y193-H197 HydrophobicContact CD1-CB 4.2Å; Y193-H197 HydrophobicContact CE1-CB 4.07Å; Y193-H197 WeakPolarHBondContact O-CB 3.47Å; Y193-H197 PolarHBondContact O-N 3.33Å; Y193-Y245 HydrophobicContact CD2-CD1 4.23Å; Y193-Y245 AromaticContact CD2-CD2 3.58Å; Y193-Y245 HydrophobicContact CD2-CD2 3.58Å; Y193-Y245 HydrophobicContact CD2-CE2 4.32Å; Y193-Y245 AromaticContact CD2-CG 3.53Å; Y193-Y245 HydrophobicContact CD2-CG 3.53Å; Y193-Y245 HydrophobicContact CE2-CD2 4.4Å; Y193-Y245 HydrophobicContact CE2-CG 4.11Å; Y193-Y245 HydrophobicContact CG-CD2 4.17Å
194	E	98	Very high	95.4	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-64.9	-34.6	-179.3	-166.2	168.4	-175.2	0	0	111.9	R149 L150 R166 P167 Q172 Y173 T192 A198	R149-E194 IonicContact CZ-OE1 2.87Å; R149-E194 IonicContact NE-OE1 3.98Å; R149-E194 PolarHBondContact NE-OE1 3.22Å; R149-E194 IonicContact NH2-OE1 2.66Å; R149-E194 PolarHBondContact NH2-OE1 3.03Å; L150-E194 HydrophobicContact CD2-CB 3.99Å; L150-E194 HydrophobicContact CD2-CG 3.62Å; R166-E194 IonicContact CZ-OE1 3.22Å; R166-E194 IonicContact CZ-OE2 3.96Å; R166-E194 IonicContact NE-OE1 3.84Å; R166-E194 PolarHBondContact NE-OE1 2.96Å; R166-E194 IonicContact NE-OE2 3.41Å; R166-E194 IonicContact NH2-OE1 2.87Å; R166-E194 PolarHBondContact NH2-OE1 3.35Å; R166-E194 IonicContact NH2-OE2 3.87Å; R166-E194 PolarHBondContact NH2-OE2 3.22Å; P167-E194 HydrophobicContact CG-CB 4.11Å; P167-E194 HydrophobicContact CG-CG 3.92Å; Q172-E194 VanDerWaalsContact CA-OE2 3.27Å; Q172-E194 WeakPolarHBondContact CA-OE2 3.29Å; Q172-E194 VanDerWaalsContact CB-OE2 3.26Å; Q172-E194 WeakPolarHBondContact CB-OE2 3.23Å; Y173-E194 PolarHBondContact N-OE2 3.49Å; T192-E194 PolarHBondContact O-N 2.83Å; E194-A198 WeakPolarHBondContact O-CB 3.32Å; E194-A198 PolarHBondContact O-N 2.94Å
195	S	97.8	Very high	96	Very high	1 Å²	1	30 Å²	30	1%	0.007	15%	0.145	C	C	.	.	H	α-helix	trans	-63.6	-54.9	172.2	-175.5	0	0	0	0	111.1	T189 T192 Y193 H197 A198 F199	T189-S195 VanDerWaalsContact O-CB 3.27Å; T189-S195 WeakPolarHBondContact O-CB 3.47Å; T192-S195 PolarHBondContact O-N 2.8Å; T192-S195 VanDerWaalsContact OG1-CB 3.28Å; T192-S195 WeakPolarHBondContact OG1-CB 3.47Å; T192-S195 PolarHBondContact OG1-N 2.93Å; Y193-S195 VanDerWaalsContact C-N 3.28Å; Y193-S195 PolarHBondContact O-N 3.48Å; S195-H197 PolarHBondContact O-N 2.85Å; S195-A198 WeakPolarHBondContact O-CB 3.46Å; S195-A198 PolarHBondContact O-N 3.14Å; S195-F199 VanDerWaalsContact O-CD2 3.28Å; S195-F199 WeakPolarHBondContact O-CD2 3.32Å; S195-F199 PolarHBondContact O-N 3.06Å; S195-F199 VanDerWaalsContact O-N 3.07Å
196	A	97.7	Very high	96.4	Very high	2 Å²	2	32 Å²	32	2%	0.017	15%	0.154	C	C	.	.	H	α-helix	trans	-58.1	-36.3	179.3	0	0	0	0	0	112.4	T192 Y193 E200 N243 F244 Y245	T192-A196 PolarHBondContact O-N 2.91Å; Y193-A196 PolarHBondContact O-N 3.49Å; A196-E200 VanDerWaalsContact O-CB 3.29Å; A196-E200 WeakPolarHBondContact O-CB 3.42Å; A196-E200 PolarHBondContact O-N 2.76Å; A196-N243 HydrophobicContact CB-CB 4.45Å; A196-N243 PolarHBondContact O-N 3.11Å; A196-F244 HydrophobicContact CB-CD1 4.11Å; A196-F244 HydrophobicContact CB-CE1 3.81Å; A196-F244 HydrophobicContact CB-CZ 4.43Å; A196-Y245 HydrophobicContact CB-CD2 4.41Å
197	H	98.2	Very high	96.6	Very high	37 Å²	37	32 Å²	32	17%	0.171	17%	0.169	C	C	.	.	H	α-helix	trans	-65.9	-41.7	173.7	174.7	81	0	0	0	113.1	K165 Y193 S195 S201	K165-H197 PolarHBondContact O-NE2 3.25Å; Y193-H197 HydrophobicContact CD1-CB 4.2Å; Y193-H197 HydrophobicContact CE1-CB 4.07Å; Y193-H197 WeakPolarHBondContact O-CB 3.47Å; Y193-H197 PolarHBondContact O-N 3.33Å; S195-H197 PolarHBondContact O-N 2.85Å; H197-S201 WeakPolarHBondContact O-CB 3.29Å; H197-S201 PolarHBondContact O-N 2.82Å; H197-S201 PolarHBondContact O-OG 2.88Å
198	A	98.1	Very high	96.9	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-64.7	-48.3	178.5	0	0	0	0	0	111.5	L146 L150 I164 E194 S195 S201 I202	L146-A198 HydrophobicContact CD2-CB 4.12Å; L150-A198 HydrophobicContact CD1-CB 4.16Å; I164-A198 HydrophobicContact CD1-CB 4.31Å; I164-A198 HydrophobicContact CG2-CB 4.33Å; E194-A198 WeakPolarHBondContact O-CB 3.32Å; E194-A198 PolarHBondContact O-N 2.94Å; S195-A198 WeakPolarHBondContact O-CB 3.46Å; S195-A198 PolarHBondContact O-N 3.14Å; A198-S201 WeakPolarHBondContact O-CB 3.4Å; A198-S201 PolarHBondContact O-N 2.79Å; A198-I202 WeakPolarHBondContact O-CG1 3.35Å; A198-I202 PolarHBondContact O-N 3.2Å
199	F	97.5	Very high	97.2	Very high	1 Å²	1	25.1 Å²	25.1	0%	0.004	14%	0.141	C	C	.	.	H	α-helix	trans	-65.4	-42.1	178.1	-74.9	-77.5	0	0	0	112.6	L146 Y190 S195 S201 I202 Y203 P240	L146-F199 HydrophobicContact CB-CE1 4.48Å; L146-F199 HydrophobicContact CB-CE2 4.18Å; L146-F199 HydrophobicContact CB-CZ 3.74Å; L146-F199 HydrophobicContact CD1-CE1 4.45Å; L146-F199 HydrophobicContact CD1-CZ 4.5Å; L146-F199 HydrophobicContact CD2-CZ 4.35Å; L146-F199 HydrophobicContact CG-CZ 4.44Å; Y190-F199 HydrophobicContact CD1-CE2 4.09Å; Y190-F199 AromaticContact CE1-CE2 3.96Å; Y190-F199 HydrophobicContact CE1-CE2 3.96Å; Y190-F199 AromaticContact CE1-CZ 3.99Å; Y190-F199 HydrophobicContact CE1-CZ 3.99Å; S195-F199 VanDerWaalsContact O-CD2 3.28Å; S195-F199 WeakPolarHBondContact O-CD2 3.32Å; S195-F199 PolarHBondContact O-N 3.06Å; S195-F199 VanDerWaalsContact O-N 3.07Å; F199-S201 VanDerWaalsContact C-N 3.27Å; F199-S201 PolarHBondContact O-N 3.18Å; F199-I202 WeakPolarHBondContact O-CB 3.19Å; F199-I202 PolarHBondContact O-N 2.97Å; F199-Y203 HydrophobicContact CB-CE2 3.92Å; F199-Y203 VanDerWaalsContact O-CD2 3.24Å; F199-Y203 WeakPolarHBondContact O-CD2 3.42Å; F199-Y203 PolarHBondContact O-N 3.02Å; F199-P240 HydrophobicContact CB-CG 4.13Å; F199-P240 HydrophobicContact CD1-CG 3.56Å; F199-P240 HydrophobicContact CD2-CG 3.32Å; F199-P240 VanDerWaalsContact CE1-CD 3.47Å; F199-P240 HydrophobicContact CE1-CG 3.66Å; F199-P240 HydrophobicContact CE2-CG 3.46Å; F199-P240 VanDerWaalsContact CE2-CG 3.46Å; F199-P240 HydrophobicContact CG-CG 3.38Å; F199-P240 HydrophobicContact CZ-CG 3.6Å
200	E	97.1	Very high	97.3	Very high	16 Å²	16	26.8 Å²	26.8	8%	0.075	15%	0.147	C	C	.	.	H	α-helix	trans	-57.8	-41.6	172.1	-173.9	71.7	-157.8	0	0	112	A196 I202 Y203 K204 G242 N243 L250	A196-E200 VanDerWaalsContact O-CB 3.29Å; A196-E200 WeakPolarHBondContact O-CB 3.42Å; A196-E200 PolarHBondContact O-N 2.76Å; E200-I202 VanDerWaalsContact C-N 3.31Å; E200-I202 PolarHBondContact O-N 3.48Å; E200-Y203 PolarHBondContact O-N 2.59Å; E200-K204 HydrophobicContact CG-CD 4.11Å; E200-K204 WeakPolarHBondContact O-CB 3.19Å; E200-K204 PolarHBondContact O-N 3.01Å; E200-K204 VanDerWaalsContact OE1-CD 3.23Å; E200-K204 WeakPolarHBondContact OE1-CD 3.37Å; E200-K204 WeakPolarHBondContact OE1-CE 3.08Å; E200-K204 IonicContact OE1-NZ 3.27Å; E200-K204 PolarHBondContact OE1-NZ 3.17Å; E200-G242 WeakPolarHBondContact OE2-CA 3.4Å; E200-N243 HydrophobicContact CB-CB 3.69Å; E200-N243 HydrophobicContact CG-CB 3.87Å; E200-N243 PolarHBondContact OE2-N 2.84Å; E200-L250 WeakPolarHBondContact OE2-CD1 3.13Å
201	S	97.8	Very high	97.4	Very high	7 Å²	7	29.2 Å²	29.2	5%	0.049	16%	0.163	C	C	.	.	H	α-helix	trans	-62.8	-40.7	178.4	-62.8	0	0	0	0	111.4	H197 A198 F199 N205 V206	H197-S201 WeakPolarHBondContact O-CB 3.29Å; H197-S201 PolarHBondContact O-N 2.82Å; H197-S201 PolarHBondContact O-OG 2.88Å; A198-S201 WeakPolarHBondContact O-CB 3.4Å; A198-S201 PolarHBondContact O-N 2.79Å; F199-S201 VanDerWaalsContact C-N 3.27Å; F199-S201 PolarHBondContact O-N 3.18Å; S201-N205 PolarHBondContact O-N 3.34Å; S201-V206 PolarHBondContact O-N 2.65Å
202	I	97.8	Very high	97.6	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-61.6	-54.7	173.1	-67.7	165.7	0	0	0	109.8	L146 F160 I164 A198 F199 E200 K204 N205 L209 W210 F213 F263	L146-I202 HydrophobicContact CD1-CD1 4.24Å; L146-I202 HydrophobicContact CD2-CD1 3.95Å; F160-I202 HydrophobicContact CE1-CD1 4.36Å; F160-I202 HydrophobicContact CZ-CD1 4.36Å; F160-I202 HydrophobicContact CZ-CG1 4.28Å; I164-I202 HydrophobicContact CD1-CD1 4.38Å; I164-I202 HydrophobicContact CD1-CG1 4.31Å; A198-I202 WeakPolarHBondContact O-CG1 3.35Å; A198-I202 PolarHBondContact O-N 3.2Å; F199-I202 WeakPolarHBondContact O-CB 3.19Å; F199-I202 PolarHBondContact O-N 2.97Å; E200-I202 VanDerWaalsContact C-N 3.31Å; E200-I202 PolarHBondContact O-N 3.48Å; I202-K204 PolarHBondContact O-N 3.48Å; I202-N205 PolarHBondContact O-N 3.23Å; I202-L209 HydrophobicContact CG1-CD1 4.31Å; I202-W210 PolarHBondContact O-NE1 2.87Å; I202-F213 HydrophobicContact CD1-CE2 4.32Å; I202-F213 HydrophobicContact CD1-CZ 4.2Å; I202-F213 HydrophobicContact CG1-CE2 4.19Å; I202-F213 HydrophobicContact CG2-CD2 4.45Å; I202-F213 HydrophobicContact CG2-CE2 3.57Å; I202-F213 HydrophobicContact CG2-CZ 3.81Å; I202-F263 HydrophobicContact CG2-CE1 4.48Å; I202-F263 HydrophobicContact CG2-CE2 4.41Å; I202-F263 HydrophobicContact CG2-CZ 4.18Å
203	Y	97	Very high	97.6	Very high	10 Å²	10	29.5 Å²	29.5	4%	0.039	16%	0.156	C	C	.	.	H	α-helix	trans	-63.3	-29.6	-175.7	-54	-29.5	0	0	0	113.3	F199 E200 W210 P239 P240 L260 F263	F199-Y203 HydrophobicContact CB-CE2 3.92Å; F199-Y203 VanDerWaalsContact O-CD2 3.24Å; F199-Y203 WeakPolarHBondContact O-CD2 3.42Å; F199-Y203 PolarHBondContact O-N 3.02Å; E200-Y203 PolarHBondContact O-N 2.59Å; Y203-W210 WeakPolarHBondContact O-CZ2 3.23Å; Y203-P239 WeakPolarHBondContact OH-CB 3.29Å; Y203-P240 WeakPolarHBondContact CE2-O 3.24Å; Y203-P240 PolarHBondContact OH-O 3.22Å; Y203-L260 HydrophobicContact CD1-CD2 3.84Å; Y203-L260 HydrophobicContact CE1-CD2 3.33Å; Y203-L260 HydrophobicContact CE2-CD2 4.13Å; Y203-L260 HydrophobicContact CG-CD2 4.44Å; Y203-L260 VanDerWaalsContact CZ-CD2 3.49Å; Y203-F263 HydrophobicContact CD1-CD1 4.32Å
204	K	96.2	Very high	97.6	Very high	131 Å²	131	28.2 Å²	28.2	57%	0.57	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.3	4.8	176.2	-75.3	-177.3	164.2	154.2	0	114.6	E200 I202 V206	E200-K204 HydrophobicContact CG-CD 4.11Å; E200-K204 WeakPolarHBondContact O-CB 3.19Å; E200-K204 PolarHBondContact O-N 3.01Å; E200-K204 VanDerWaalsContact OE1-CD 3.23Å; E200-K204 WeakPolarHBondContact OE1-CD 3.37Å; E200-K204 WeakPolarHBondContact OE1-CE 3.08Å; E200-K204 IonicContact OE1-NZ 3.27Å; E200-K204 PolarHBondContact OE1-NZ 3.17Å; I202-K204 PolarHBondContact O-N 3.48Å; K204-V206 HydrophobicContact CB-CG2 4.06Å; K204-V206 PolarHBondContact O-N 2.94Å
205	N	97.5	Very high	97.6	Very high	51 Å²	51	31.3 Å²	31.3	27%	0.273	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.7	35.3	-176.9	-164.3	19.8	0	0	0	113.4	S201 I202 S207 G208 L209 W210	S201-N205 PolarHBondContact O-N 3.34Å; I202-N205 PolarHBondContact O-N 3.23Å; N205-S207 PolarHBondContact O-N 3.39Å; N205-G208 PolarHBondContact O-N 2.75Å; N205-G208 WeakPolarHBondContact OD1-CA 3.27Å; N205-L209 PolarHBondContact OD1-N 2.87Å; N205-L209 VanDerWaalsContact OD1-N 3.11Å; N205-W210 HydrophobicContact CB-CB 4.47Å; N205-W210 HydrophobicContact CB-CD2 3.54Å; N205-W210 HydrophobicContact CB-CE3 4.04Å; N205-W210 HydrophobicContact CB-CG 3.7Å; N205-W210 HydrophobicContact CB-CZ2 4.22Å; N205-W210 VanDerWaalsContact CG-CG 3.41Å; N205-W210 WeakPolarHBondContact OD1-CB 3.07Å; N205-W210 VanDerWaalsContact OD1-CG 3.3Å; N205-W210 PolarHBondContact OD1-N 3Å
206	V	97.2	Very high	97.7	Very high	57 Å²	57	31.3 Å²	31.3	35%	0.345	17%	0.165	S	C	.	.	G	3₁₀ helix	trans	-57.3	132.3	-179.7	174.4	0	0	0	0	108.5	S201 K204 G208 L209	S201-V206 PolarHBondContact O-N 2.65Å; K204-V206 HydrophobicContact CB-CG2 4.06Å; K204-V206 PolarHBondContact O-N 2.94Å; V206-G208 PolarHBondContact O-N 3.11Å; V206-L209 HydrophobicContact CB-CD1 4.46Å; V206-L209 VanDerWaalsContact O-CD1 3.3Å; V206-L209 WeakPolarHBondContact O-CD1 3.34Å; V206-L209 WeakPolarHBondContact O-CG 3.47Å; V206-L209 PolarHBondContact O-N 2.99Å
207	S	94.1	Very high	97.7	Very high	94 Å²	94	31.2 Å²	31.2	66%	0.657	16%	0.164	S	C	*	.	G	3₁₀ helix	trans	57	20.3	-178.5	-52.5	0	0	0	0	115.2	N205	N205-S207 PolarHBondContact O-N 3.39Å
208	G	97.6	Very high	97.8	Very high	17 Å²	17	34.3 Å²	34.3	18%	0.175	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	76.7	25	179.7	0	0	0	0	0	114.4	N205 V206 W210 N211	N205-G208 PolarHBondContact O-N 2.75Å; N205-G208 WeakPolarHBondContact OD1-CA 3.27Å; V206-G208 PolarHBondContact O-N 3.11Å; G208-W210 PolarHBondContact O-N 3.19Å; G208-W210 VanDerWaalsContact O-N 3.1Å; G208-N211 WeakPolarHBondContact O-CB 3.38Å; G208-N211 PolarHBondContact O-N 2.9Å
209	L	98.4	Very high	97.8	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-31.1	-178.9	-76.4	163.2	0	0	0	114	F160 K163 I164 I202 N205 V206 N211 Y212	F160-L209 HydrophobicContact CD2-CD2 4.33Å; F160-L209 HydrophobicContact CE2-CD2 3.6Å; F160-L209 HydrophobicContact CZ-CD2 3.79Å; K163-L209 HydrophobicContact CB-CD2 3.99Å; I164-L209 HydrophobicContact CD1-CD1 4.46Å; I164-L209 HydrophobicContact CD1-CD2 4.48Å; I164-L209 HydrophobicContact CG1-CD1 3.91Å; I164-L209 HydrophobicContact CG1-CD2 3.74Å; I164-L209 HydrophobicContact CG1-CG 4.49Å; I202-L209 HydrophobicContact CG1-CD1 4.31Å; N205-L209 PolarHBondContact OD1-N 2.87Å; N205-L209 VanDerWaalsContact OD1-N 3.11Å; V206-L209 HydrophobicContact CB-CD1 4.46Å; V206-L209 VanDerWaalsContact O-CD1 3.3Å; V206-L209 WeakPolarHBondContact O-CD1 3.34Å; V206-L209 WeakPolarHBondContact O-CG 3.47Å; V206-L209 PolarHBondContact O-N 2.99Å; L209-N211 PolarHBondContact O-N 2.97Å; L209-Y212 HydrophobicContact CD2-CD2 4.44Å; L209-Y212 PolarHBondContact O-N 3.03Å; L209-Y212 VanDerWaalsContact O-N 3.17Å
210	W	98.3	Very high	97.8	Very high	34 Å²	34	35.7 Å²	35.7	13%	0.129	18%	0.182	C	C	.	.	H	α-helix	trans	-60.8	-25.9	177.1	-69.6	0.6	0	0	0	113.1	I202 Y203 N205 G208 Y212 F213 A214 L262 F263 Y266	I202-W210 PolarHBondContact O-NE1 2.87Å; Y203-W210 WeakPolarHBondContact O-CZ2 3.23Å; N205-W210 HydrophobicContact CB-CB 4.47Å; N205-W210 HydrophobicContact CB-CD2 3.54Å; N205-W210 HydrophobicContact CB-CE3 4.04Å; N205-W210 HydrophobicContact CB-CG 3.7Å; N205-W210 HydrophobicContact CB-CZ2 4.22Å; N205-W210 VanDerWaalsContact CG-CG 3.41Å; N205-W210 WeakPolarHBondContact OD1-CB 3.07Å; N205-W210 VanDerWaalsContact OD1-CG 3.3Å; N205-W210 PolarHBondContact OD1-N 3Å; G208-W210 PolarHBondContact O-N 3.19Å; G208-W210 VanDerWaalsContact O-N 3.1Å; W210-Y212 VanDerWaalsContact C-N 3.27Å; W210-Y212 PolarHBondContact O-N 3.14Å; W210-F213 PolarHBondContact O-N 2.95Å; W210-A214 WeakPolarHBondContact O-CB 3.12Å; W210-A214 PolarHBondContact O-N 3.16Å; W210-L262 HydrophobicContact CH2-CB 4.33Å; W210-F263 AromaticContact CD1-CD2 3.51Å; W210-F263 AromaticContact CD1-CE2 3.79Å; W210-F263 HydrophobicContact CD2-CD2 4.22Å; W210-F263 AromaticContact CE2-CD2 3.73Å; W210-F263 HydrophobicContact CG-CD2 4.09Å; W210-F263 HydrophobicContact CG-CE2 4.4Å; W210-F263 VanDerWaalsContact CZ2-CA 3.48Å; W210-F263 HydrophobicContact CZ2-CB 3.86Å; W210-F263 HydrophobicContact CZ2-CD2 4.38Å; W210-F263 AromaticContact NE1-CD2 3.27Å; W210-F263 VanDerWaalsContact NE1-CD2 3.27Å; W210-F263 AromaticContact NE1-CE2 3.99Å; W210-F263 AromaticContact NE1-CG 3.99Å; W210-Y266 HydrophobicContact CB-CD1 3.72Å; W210-Y266 HydrophobicContact CB-CE1 3.48Å; W210-Y266 VanDerWaalsContact CB-CE1 3.48Å; W210-Y266 AromaticContact CD2-CD1 4Å; W210-Y266 HydrophobicContact CD2-CD1 4Å; W210-Y266 HydrophobicContact CD2-CG 4.07Å; W210-Y266 AromaticContact CE3-CD1 3.67Å; W210-Y266 HydrophobicContact CE3-CD1 3.67Å; W210-Y266 AromaticContact CE3-CD2 3.66Å; W210-Y266 HydrophobicContact CE3-CD2 3.66Å; W210-Y266 HydrophobicContact CE3-CE1 4.31Å; W210-Y266 HydrophobicContact CE3-CE2 4.29Å; W210-Y266 AromaticContact CE3-CG 3.3Å; W210-Y266 HydrophobicContact CE3-CG 3.3Å; W210-Y266 HydrophobicContact CG-CD1 4.09Å; W210-Y266 HydrophobicContact CG-CE1 4.34Å; W210-Y266 HydrophobicContact CZ3-CD2 4.07Å; W210-Y266 AromaticContact CZ3-CG 3.79Å; W210-Y266 HydrophobicContact CZ3-CG 3.79Å; W210-Y266 WeakPolarHBondContact O-CE1 3.46Å
211	N	98.4	Very high	97.9	Very high	89 Å²	89	35.1 Å²	35.1	48%	0.476	18%	0.179	S	C	.	.	H	α-helix	trans	-64.1	-32.3	178	-69.7	-33.5	0	0	0	112.6	G208 L209 A214 E215 Y266	G208-N211 WeakPolarHBondContact O-CB 3.38Å; G208-N211 PolarHBondContact O-N 2.9Å; L209-N211 PolarHBondContact O-N 2.97Å; N211-A214 WeakPolarHBondContact O-CB 3.28Å; N211-A214 PolarHBondContact O-N 3.47Å; N211-E215 PolarHBondContact O-N 3.42Å; N211-Y266 PolarHBondContact OD1-OH 3.4Å; N211-Y266 VanDerWaalsContact OD1-OH 3.08Å
212	Y	98.2	Very high	97.9	Very high	43 Å²	43	41 Å²	41	17%	0.169	21%	0.21	C	C	.	.	H	α-helix	trans	-75.2	-38.9	178.2	-55.5	-79.2	0	0	0	111.5	W105 W159 F160 K163 L209 W210 A214 E215 Y216	W105-Y212 WeakPolarHBondContact CZ2-O 3.41Å; W159-Y212 AromaticContact CH2-CD1 3.93Å; W159-Y212 HydrophobicContact CH2-CD1 3.93Å; W159-Y212 AromaticContact CZ3-CD1 3.49Å; W159-Y212 HydrophobicContact CZ3-CD1 3.49Å; W159-Y212 VanDerWaalsContact CZ3-CD1 3.49Å; W159-Y212 AromaticContact CZ3-CE1 3.82Å; W159-Y212 HydrophobicContact CZ3-CE1 3.82Å; W159-Y212 HydrophobicContact CZ3-CG 4.17Å; F160-Y212 HydrophobicContact CD2-CD2 4.13Å; F160-Y212 HydrophobicContact CD2-CG 4.04Å; F160-Y212 HydrophobicContact CE2-CD2 4.13Å; F160-Y212 HydrophobicContact CE2-CG 4.31Å; K163-Y212 HydrophobicContact CB-CE2 4.32Å; K163-Y212 WeakPolarHBondContact CE-OH 3.29Å; K163-Y212 HydrophobicContact CG-CE2 4.01Å; L209-Y212 HydrophobicContact CD2-CD2 4.44Å; L209-Y212 PolarHBondContact O-N 3.03Å; L209-Y212 VanDerWaalsContact O-N 3.17Å; W210-Y212 VanDerWaalsContact C-N 3.27Å; W210-Y212 PolarHBondContact O-N 3.14Å; Y212-A214 VanDerWaalsContact C-N 3.34Å; Y212-E215 PolarHBondContact O-N 3.04Å; Y212-Y216 PolarHBondContact O-N 3.21Å
213	F	98.5	Very high	98	Very high	2 Å²	2	44.4 Å²	44.4	1%	0.009	22%	0.223	C	C	.	.	H	α-helix	trans	-64.3	-40.1	170	-75.8	-92.9	0	0	0	111.6	W105 L141 F160 I202 W210 E215 Y216 W217 F263 L267	W105-F213 HydrophobicContact CH2-CB 4.47Å; W105-F213 AromaticContact CH2-CD1 3.97Å; W105-F213 HydrophobicContact CH2-CD1 3.97Å; W105-F213 AromaticContact CH2-CD2 3.86Å; W105-F213 HydrophobicContact CH2-CD2 3.86Å; W105-F213 HydrophobicContact CH2-CE1 4.19Å; W105-F213 HydrophobicContact CH2-CE2 4.07Å; W105-F213 AromaticContact CH2-CG 3.82Å; W105-F213 HydrophobicContact CH2-CG 3.82Å; W105-F213 HydrophobicContact CH2-CZ 4.22Å; W105-F213 AromaticContact CZ3-CD1 3.7Å; W105-F213 HydrophobicContact CZ3-CD1 3.7Å; W105-F213 HydrophobicContact CZ3-CD2 4.21Å; W105-F213 AromaticContact CZ3-CE1 3.57Å; W105-F213 HydrophobicContact CZ3-CE1 3.57Å; W105-F213 HydrophobicContact CZ3-CE2 4.08Å; W105-F213 HydrophobicContact CZ3-CG 4.03Å; W105-F213 AromaticContact CZ3-CZ 3.76Å; W105-F213 HydrophobicContact CZ3-CZ 3.76Å; L141-F213 HydrophobicContact CD2-CD1 3.79Å; L141-F213 HydrophobicContact CD2-CE1 3.66Å; F160-F213 HydrophobicContact CE2-CD2 4.38Å; F160-F213 HydrophobicContact CE2-CE2 4.08Å; F160-F213 HydrophobicContact CZ-CD2 4.33Å; F160-F213 AromaticContact CZ-CE2 3.6Å; F160-F213 HydrophobicContact CZ-CE2 3.6Å; F160-F213 HydrophobicContact CZ-CZ 4.25Å; I202-F213 HydrophobicContact CD1-CE2 4.32Å; I202-F213 HydrophobicContact CD1-CZ 4.2Å; I202-F213 HydrophobicContact CG1-CE2 4.19Å; I202-F213 HydrophobicContact CG2-CD2 4.45Å; I202-F213 HydrophobicContact CG2-CE2 3.57Å; I202-F213 HydrophobicContact CG2-CZ 3.81Å; W210-F213 PolarHBondContact O-N 2.95Å; F213-E215 VanDerWaalsContact C-N 3.3Å; F213-E215 PolarHBondContact O-N 3.44Å; F213-Y216 WeakPolarHBondContact O-CB 3.17Å; F213-Y216 PolarHBondContact O-N 3.33Å; F213-W217 VanDerWaalsContact O-CD1 3.22Å; F213-W217 PolarHBondContact O-N 3Å; F213-F263 HydrophobicContact CB-CE2 4.26Å; F213-F263 HydrophobicContact CB-CZ 4.43Å; F213-F263 HydrophobicContact CD1-CE2 4.34Å; F213-F263 AromaticContact CD1-CZ 3.72Å; F213-F263 HydrophobicContact CD1-CZ 3.72Å; F213-F263 HydrophobicContact CD2-CE2 4.15Å; F213-F263 HydrophobicContact CD2-CZ 4.15Å; F213-F263 AromaticContact CE1-CZ 3.86Å; F213-F263 HydrophobicContact CE1-CZ 3.86Å; F213-F263 HydrophobicContact CE2-CZ 4.28Å; F213-F263 HydrophobicContact CG-CE2 4.02Å; F213-F263 AromaticContact CG-CZ 3.87Å; F213-F263 HydrophobicContact CG-CZ 3.87Å; F213-F263 HydrophobicContact CZ-CZ 4.15Å; F213-L267 HydrophobicContact CB-CD2 3.64Å
214	A	98.6	Very high	98	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-59.7	-41.9	174.6	0	0	0	0	0	111.7	W210 N211 Y212 W217 R218 Y266 V270	W210-A214 WeakPolarHBondContact O-CB 3.12Å; W210-A214 PolarHBondContact O-N 3.16Å; N211-A214 WeakPolarHBondContact O-CB 3.28Å; N211-A214 PolarHBondContact O-N 3.47Å; Y212-A214 VanDerWaalsContact C-N 3.34Å; A214-W217 PolarHBondContact O-N 3.26Å; A214-R218 WeakPolarHBondContact O-CB 3.48Å; A214-R218 VanDerWaalsContact O-CG 3.28Å; A214-R218 WeakPolarHBondContact O-CG 3.35Å; A214-R218 PolarHBondContact O-N 3.28Å; A214-Y266 HydrophobicContact CB-CE1 3.88Å; A214-V270 HydrophobicContact CB-CB 4.33Å; A214-V270 HydrophobicContact CB-CG1 3.86Å; A214-V270 HydrophobicContact CB-CG2 3.78Å
215	E	98.4	Very high	98.1	Very high	66 Å²	66	38 Å²	38	31%	0.308	20%	0.198	S	C	.	.	H	α-helix	trans	-64.2	-47.1	176.5	-169.8	-177.8	-174.2	0	0	111.9	K109 N211 Y212 F213 W217 R218 I219	K109-E215 WeakPolarHBondContact CE-OE1 3.32Å; K109-E215 VanDerWaalsContact CE-OE2 3.29Å; K109-E215 WeakPolarHBondContact CE-OE2 3.29Å; K109-E215 IonicContact NZ-OE1 3.52Å; K109-E215 PolarHBondContact NZ-OE1 3.36Å; K109-E215 IonicContact NZ-OE2 3.7Å; K109-E215 PolarHBondContact NZ-OE2 2.79Å; N211-E215 PolarHBondContact O-N 3.42Å; Y212-E215 PolarHBondContact O-N 3.04Å; F213-E215 VanDerWaalsContact C-N 3.3Å; F213-E215 PolarHBondContact O-N 3.44Å; E215-W217 VanDerWaalsContact C-N 3.32Å; E215-W217 PolarHBondContact O-N 3.46Å; E215-R218 PolarHBondContact O-N 2.89Å; E215-I219 HydrophobicContact CG-CD1 4.13Å; E215-I219 WeakPolarHBondContact O-CG1 3.33Å; E215-I219 PolarHBondContact O-N 3.27Å
216	Y	98.7	Very high	98	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-50.3	-53.9	172.7	172.7	-84.7	0	0	0	110.6	F103 W105 L108 L141 Y212 F213 R218 I219 T220	F103-Y216 WeakPolarHBondContact CB-OH 3.44Å; F103-Y216 HydrophobicContact CD1-CE2 4.13Å; F103-Y216 AromaticContact CD1-CZ 3.82Å; F103-Y216 WeakPolarHBondContact CD1-OH 3.25Å; F103-Y216 WeakPolarHBondContact O-CE2 3.07Å; F103-Y216 PolarHBondContact O-OH 3.28Å; W105-Y216 HydrophobicContact CB-CD2 3.99Å; W105-Y216 HydrophobicContact CB-CE2 3.95Å; W105-Y216 AromaticContact CD1-CD2 3.79Å; W105-Y216 AromaticContact CD2-CD2 3.98Å; W105-Y216 HydrophobicContact CD2-CD2 3.98Å; W105-Y216 HydrophobicContact CD2-CG 4.48Å; W105-Y216 AromaticContact CG-CD2 3.68Å; W105-Y216 HydrophobicContact CG-CD2 3.68Å; W105-Y216 HydrophobicContact CG-CE2 4.16Å; L108-Y216 HydrophobicContact CD2-CD2 3.53Å; L108-Y216 HydrophobicContact CD2-CE2 3.83Å; L108-Y216 HydrophobicContact CD2-CG 4.33Å; L141-Y216 HydrophobicContact CB-CE1 4.25Å; L141-Y216 HydrophobicContact CD1-CE1 4.19Å; L141-Y216 HydrophobicContact CD1-CE2 3.97Å; L141-Y216 HydrophobicContact CD2-CE1 4.46Å; Y212-Y216 PolarHBondContact O-N 3.21Å; F213-Y216 WeakPolarHBondContact O-CB 3.17Å; F213-Y216 PolarHBondContact O-N 3.33Å; Y216-R218 PolarHBondContact O-N 2.98Å; Y216-I219 PolarHBondContact O-N 2.99Å; Y216-T220 PolarHBondContact O-N 3.46Å; Y216-T220 PolarHBondContact O-OG1 3.48Å
217	W	98.8	Very high	98	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-70	-30.4	-177.5	-75.9	113.8	0	0	0	114	L141 F213 A214 E215 T220 T221 Y233 N234 L235 I271	L141-W217 HydrophobicContact CB-CZ2 3.99Å; F213-W217 VanDerWaalsContact O-CD1 3.22Å; F213-W217 PolarHBondContact O-N 3Å; A214-W217 PolarHBondContact O-N 3.26Å; E215-W217 VanDerWaalsContact C-N 3.32Å; E215-W217 PolarHBondContact O-N 3.46Å; W217-T220 HydrophobicContact CE3-CG2 4.07Å; W217-T220 HydrophobicContact CZ3-CG2 3.95Å; W217-T220 PolarHBondContact O-N 2.93Å; W217-T221 WeakPolarHBondContact O-CB 3.18Å; W217-T221 VanDerWaalsContact O-CG2 3.25Å; W217-T221 WeakPolarHBondContact O-CG2 3.4Å; W217-T221 PolarHBondContact O-N 2.89Å; W217-T221 PolarHBondContact O-OG1 2.75Å; W217-Y233 HydrophobicContact CE3-CD1 4.38Å; W217-Y233 HydrophobicContact CE3-CG 4.29Å; W217-Y233 VanDerWaalsContact CZ3-CB 3.5Å; W217-Y233 AromaticContact CZ3-CD1 3.72Å; W217-Y233 HydrophobicContact CZ3-CD1 3.72Å; W217-Y233 AromaticContact CZ3-CG 3.78Å; W217-Y233 HydrophobicContact CZ3-CG 3.78Å; W217-N234 WeakPolarHBondContact CH2-O 3.5Å; W217-N234 WeakPolarHBondContact CZ2-O 3.46Å; W217-L235 HydrophobicContact CZ2-CD2 4.2Å; W217-I271 HydrophobicContact CB-CD1 4.25Å; W217-I271 HydrophobicContact CB-CG1 3.83Å; W217-I271 HydrophobicContact CD2-CD1 3.98Å; W217-I271 HydrophobicContact CD2-CG1 4.45Å; W217-I271 HydrophobicContact CE3-CD1 4.12Å; W217-I271 HydrophobicContact CG-CD1 4.03Å; W217-I271 HydrophobicContact CG-CG1 4.18Å
218	R	98.7	Very high	98	Very high	102 Å²	102	43.6 Å²	43.6	39%	0.385	20%	0.201	S	C	.	.	H	α-helix	trans	-64	-44.7	171.3	-78.1	-178.3	-157	132.9	5.5	111.3	A214 E215 Y216 T220 T221 D222 V270	A214-R218 WeakPolarHBondContact O-CB 3.48Å; A214-R218 VanDerWaalsContact O-CG 3.28Å; A214-R218 WeakPolarHBondContact O-CG 3.35Å; A214-R218 PolarHBondContact O-N 3.28Å; E215-R218 PolarHBondContact O-N 2.89Å; Y216-R218 PolarHBondContact O-N 2.98Å; R218-T220 VanDerWaalsContact C-N 3.35Å; R218-T221 WeakPolarHBondContact CA-OG1 3.39Å; R218-T221 PolarHBondContact O-N 3.25Å; R218-T221 PolarHBondContact O-OG1 3.13Å; R218-D222 WeakPolarHBondContact O-CB 3.39Å; R218-D222 PolarHBondContact O-N 3.16Å; R218-V270 HydrophobicContact CG-CG1 3.62Å
219	I	98.6	Very high	98	Very high	31 Å²	31	42.9 Å²	42.9	16%	0.159	19%	0.193	C	C	.	.	H	α-helix	trans	-61.7	-46.4	177.1	-63.9	162.6	0	0	0	110	L108 K109 T115 I120 E215 Y216 T221 R223	L108-I219 HydrophobicContact CD1-CG2 3.91Å; L108-I219 HydrophobicContact CD2-CD1 4.47Å; L108-I219 HydrophobicContact CD2-CG2 4.38Å; K109-I219 HydrophobicContact CD-CD1 4.4Å; T115-I219 HydrophobicContact CG2-CD1 4.01Å; T115-I219 HydrophobicContact CG2-CG2 4.23Å; I120-I219 HydrophobicContact CD1-CG2 3.61Å; I120-I219 HydrophobicContact CG1-CG2 4.47Å; E215-I219 HydrophobicContact CG-CD1 4.13Å; E215-I219 WeakPolarHBondContact O-CG1 3.33Å; E215-I219 PolarHBondContact O-N 3.27Å; Y216-I219 PolarHBondContact O-N 2.99Å; I219-T221 PolarHBondContact O-N 2.81Å; I219-R223 PolarHBondContact O-N 3.05Å
220	T	98.8	Very high	98	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-57	-49.9	177.3	-53.2	0	0	0	0	112.1	F103 I139 Y216 W217 R218 F224 Y233	F103-T220 HydrophobicContact CD1-CG2 4.07Å; F103-T220 WeakPolarHBondContact CD1-OG1 3.46Å; F103-T220 HydrophobicContact CE1-CG2 4.23Å; F103-T220 VanDerWaalsContact CE1-OG1 3.24Å; F103-T220 WeakPolarHBondContact CE1-OG1 3.32Å; I139-T220 HydrophobicContact CD1-CG2 3.98Å; I139-T220 HydrophobicContact CG2-CG2 3.98Å; Y216-T220 PolarHBondContact O-N 3.46Å; Y216-T220 PolarHBondContact O-OG1 3.48Å; W217-T220 HydrophobicContact CE3-CG2 4.07Å; W217-T220 HydrophobicContact CZ3-CG2 3.95Å; W217-T220 PolarHBondContact O-N 2.93Å; R218-T220 VanDerWaalsContact C-N 3.35Å; T220-F224 HydrophobicContact CG2-CD2 3.82Å; T220-F224 HydrophobicContact CG2-CE2 4.37Å; T220-F224 WeakPolarHBondContact O-CB 3.37Å; T220-F224 WeakPolarHBondContact O-CD2 3.26Å; T220-F224 WeakPolarHBondContact O-CG 3.41Å; T220-F224 PolarHBondContact O-N 2.92Å; T220-Y233 HydrophobicContact CG2-CD1 4.2Å; T220-Y233 HydrophobicContact CG2-CE1 3.97Å
221	T	98.6	Very high	98	Very high	3 Å²	3	41.5 Å²	41.5	2%	0.018	19%	0.189	C	C	.	.	H	α-helix	trans	-76.5	-35.9	-173.7	50.2	0	0	0	0	113	W217 R218 I219 R223 G225 Y233 I271 T274 D275	W217-T221 WeakPolarHBondContact O-CB 3.18Å; W217-T221 VanDerWaalsContact O-CG2 3.25Å; W217-T221 WeakPolarHBondContact O-CG2 3.4Å; W217-T221 PolarHBondContact O-N 2.89Å; W217-T221 PolarHBondContact O-OG1 2.75Å; R218-T221 WeakPolarHBondContact CA-OG1 3.39Å; R218-T221 PolarHBondContact O-N 3.25Å; R218-T221 PolarHBondContact O-OG1 3.13Å; I219-T221 PolarHBondContact O-N 2.81Å; T221-R223 VanDerWaalsContact C-N 3.33Å; T221-R223 PolarHBondContact O-N 3.22Å; T221-G225 VanDerWaalsContact O-CA 3.31Å; T221-G225 WeakPolarHBondContact O-CA 3.39Å; T221-G225 PolarHBondContact O-N 3.43Å; T221-Y233 HydrophobicContact CG2-CD2 4.34Å; T221-Y233 HydrophobicContact CG2-CE1 4.48Å; T221-Y233 HydrophobicContact CG2-CE2 3.66Å; T221-I271 HydrophobicContact CG2-CB 4.21Å; T221-I271 HydrophobicContact CG2-CG1 4.03Å; T221-I271 HydrophobicContact CG2-CG2 3.76Å; T221-T274 VanDerWaalsContact CB-OG1 3.25Å; T221-T274 WeakPolarHBondContact CB-OG1 3.46Å; T221-T274 PolarHBondContact OG1-OG1 3.46Å; T221-D275 HydrophobicContact CG2-CB 4.22Å
222	D	98.1	Very high	98.1	Very high	132 Å²	132	37.2 Å²	37.2	71%	0.706	17%	0.166	S	C	*	.	H	α-helix	trans	-61.5	-42.6	174.7	-174.4	63.1	0	0	0	111.2	R218	R218-D222 WeakPolarHBondContact O-CB 3.39Å; R218-D222 PolarHBondContact O-N 3.16Å
223	R	98.4	Very high	98.1	Very high	71 Å²	71	35.2 Å²	35.2	27%	0.268	16%	0.158	S	C	.	.	H	α-helix	trans	-76.6	-50.6	177.5	-174.7	67.4	79.8	117	6.9	112.9	I120 D121 E124 I219 T221	I120-R223 HydrophobicContact CG2-CB 4.08Å; I120-R223 HydrophobicContact CG2-CG 3.52Å; I120-R223 VanDerWaalsContact CG2-CZ 3.49Å; D121-R223 IonicContact OD1-CZ 3.3Å; D121-R223 VanDerWaalsContact OD1-CZ 3.22Å; D121-R223 IonicContact OD1-NH1 3.87Å; D121-R223 PolarHBondContact OD1-NH1 2.87Å; D121-R223 IonicContact OD1-NH2 3.43Å; D121-R223 PolarHBondContact OD1-NH2 3.06Å; E124-R223 IonicContact OE2-CZ 3.36Å; E124-R223 IonicContact OE2-NH1 3.41Å; E124-R223 PolarHBondContact OE2-NH1 2.85Å; I219-R223 PolarHBondContact O-N 3.05Å; T221-R223 VanDerWaalsContact C-N 3.33Å; T221-R223 PolarHBondContact O-N 3.22Å
224	F	98.5	Very high	98.1	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-102.5	-11.5	-164.6	-49.9	-52.5	0	0	0	114.4	F103 I120 I123 E124 I127 I139 T220 K226 K227 V230	F103-F224 HydrophobicContact CD1-CE2 4.26Å; F103-F224 AromaticContact CE1-CE2 3.8Å; F103-F224 HydrophobicContact CE1-CE2 3.8Å; F103-F224 HydrophobicContact CE2-CE2 4.2Å; F103-F224 HydrophobicContact CE2-CZ 4.38Å; F103-F224 AromaticContact CZ-CE2 3.75Å; F103-F224 HydrophobicContact CZ-CE2 3.75Å; F103-F224 HydrophobicContact CZ-CZ 4.19Å; I120-F224 HydrophobicContact CG2-CE1 4.32Å; I120-F224 HydrophobicContact CG2-CZ 4.02Å; I123-F224 HydrophobicContact CB-CZ 4.05Å; I123-F224 HydrophobicContact CG2-CE1 4.28Å; I123-F224 HydrophobicContact CG2-CE2 4.12Å; I123-F224 HydrophobicContact CG2-CZ 3.68Å; E124-F224 HydrophobicContact CB-CE1 3.91Å; E124-F224 HydrophobicContact CG-CE1 4.44Å; I127-F224 HydrophobicContact CD1-CB 4.42Å; I127-F224 HydrophobicContact CD1-CD1 3.61Å; I127-F224 HydrophobicContact CD1-CD2 4.35Å; I127-F224 HydrophobicContact CD1-CE1 3.88Å; I127-F224 HydrophobicContact CD1-CG 3.88Å; I127-F224 HydrophobicContact CD1-CZ 4.36Å; I139-F224 HydrophobicContact CD1-CB 4.02Å; I139-F224 HydrophobicContact CD1-CD2 3.53Å; I139-F224 HydrophobicContact CD1-CE2 4.26Å; I139-F224 HydrophobicContact CD1-CG 4Å; T220-F224 HydrophobicContact CG2-CD2 3.82Å; T220-F224 HydrophobicContact CG2-CE2 4.37Å; T220-F224 WeakPolarHBondContact O-CB 3.37Å; T220-F224 WeakPolarHBondContact O-CD2 3.26Å; T220-F224 WeakPolarHBondContact O-CG 3.41Å; T220-F224 PolarHBondContact O-N 2.92Å; F224-K226 PolarHBondContact O-N 2.9Å; F224-K226 VanDerWaalsContact O-N 3.12Å; F224-K227 VanDerWaalsContact O-CB 3.31Å; F224-K227 WeakPolarHBondContact O-CB 3.43Å; F224-K227 WeakPolarHBondContact O-CG 3.39Å; F224-K227 PolarHBondContact O-N 3.39Å; F224-V230 HydrophobicContact CB-CG2 4.24Å
225	G	96.6	Very high	98.1	Very high	7 Å²	7	35.1 Å²	35.1	7%	0.072	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-30.6	-170.7	0	0	0	0	0	114.7	K45 T221 K227 Y233 D275	K45-G225 WeakPolarHBondContact CE-O 3.37Å; K45-G225 PolarHBondContact NZ-O 2.79Å; T221-G225 VanDerWaalsContact O-CA 3.31Å; T221-G225 WeakPolarHBondContact O-CA 3.39Å; T221-G225 PolarHBondContact O-N 3.43Å; G225-K227 PolarHBondContact O-N 3Å; G225-Y233 WeakPolarHBondContact CA-OH 3.31Å; G225-D275 WeakPolarHBondContact CA-OD2 2.99Å
226	K	95.9	Very high	98.1	Very high	208 Å²	208	32 Å²	32	90%	0.904	14%	0.143	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-9.5	177.7	-66.7	177.3	-177.7	169.6	0	114.4	F224 Y228	F224-K226 PolarHBondContact O-N 2.9Å; F224-K226 VanDerWaalsContact O-N 3.12Å; K226-Y228 PolarHBondContact O-N 3.12Å
227	K	97	Very high	98	Very high	38 Å²	38	32 Å²	32	17%	0.165	14%	0.143	C	C	.	.			trans	-73.7	117.7	-179.6	-60.2	-73.2	-176.5	172.1	0	109.6	K45 E124 I127 D128 F224 G225 N229 V230	K45-K227 PolarHBondContact NZ-O 2.87Å; E124-K227 WeakPolarHBondContact OE1-CE 3.45Å; E124-K227 IonicContact OE1-NZ 2.65Å; E124-K227 PolarHBondContact OE1-NZ 2.84Å; I127-K227 HydrophobicContact CG2-CB 4.17Å; I127-K227 HydrophobicContact CG2-CD 4.48Å; I127-K227 HydrophobicContact CG2-CG 4.18Å; D128-K227 VanDerWaalsContact CG-NZ 3.3Å; D128-K227 WeakPolarHBondContact OD1-CE 3.16Å; D128-K227 IonicContact OD1-NZ 2.94Å; D128-K227 PolarHBondContact OD1-NZ 3.48Å; D128-K227 IonicContact OD2-NZ 3.95Å; D128-K227 PolarHBondContact OD2-NZ 3.36Å; D128-K227 VanDerWaalsContact OD2-NZ 3.14Å; F224-K227 VanDerWaalsContact O-CB 3.31Å; F224-K227 WeakPolarHBondContact O-CB 3.43Å; F224-K227 WeakPolarHBondContact O-CG 3.39Å; F224-K227 PolarHBondContact O-N 3.39Å; G225-K227 PolarHBondContact O-N 3Å; K227-N229 PolarHBondContact O-N 3.02Å; K227-V230 HydrophobicContact CB-CB 4.43Å; K227-V230 HydrophobicContact CB-CG2 3.73Å; K227-V230 HydrophobicContact CG-CG2 4.47Å; K227-V230 PolarHBondContact O-N 3.49Å
228	Y	95	Very high	97.9	Very high	72 Å²	72	33.4 Å²	33.4	28%	0.282	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-31.7	-175.5	76.1	-89.4	0	0	0	113.1	R43 G131 K226	R43-Y228 HydrophobicContact CB-CD2 3.93Å; R43-Y228 HydrophobicContact CB-CG 4.14Å; G131-Y228 VanDerWaalsContact C-OH 3.22Å; G131-Y228 WeakPolarHBondContact CA-OH 3.27Å; G131-Y228 PolarHBondContact O-OH 3.46Å; K226-Y228 PolarHBondContact O-N 3.12Å
229	N	97.5	Very high	97.7	Very high	2 Å²	2	28.6 Å²	28.6	1%	0.011	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	0.7	-176.7	69.2	-50	0	0	0	113.5	I127 G131 V135 Y136 I137 K227 L231	I127-N229 PolarHBondContact O-ND2 2.97Å; G131-N229 WeakPolarHBondContact CA-ND2 3.22Å; G131-N229 PolarHBondContact N-ND2 3.49Å; G131-N229 VanDerWaalsContact N-ND2 3.18Å; V135-N229 PolarHBondContact O-ND2 3.17Å; Y136-N229 CarbonylContact C-O 3.6Å; Y136-N229 WeakPolarHBondContact CA-O 3.16Å; Y136-N229 HydrophobicContact CD1-CB 4.4Å; Y136-N229 WeakPolarHBondContact CD1-O 3.17Å; I137-N229 PolarHBondContact N-O 3.12Å; K227-N229 PolarHBondContact O-N 3.02Å; N229-L231 PolarHBondContact O-N 3.13Å; N229-L231 VanDerWaalsContact O-N 3.16Å
230	V	98.7	Very high	97.6	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.006	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	103.6	163.2	176.7	0	0	0	0	107	K45 I127 I137 I139 F224 K227 Y233 T278	K45-V230 PolarHBondContact NZ-O 2.89Å; I127-V230 HydrophobicContact CD1-CG2 4.26Å; I127-V230 HydrophobicContact CG2-CG2 3.9Å; I137-V230 CarbonylContact O-C 3.52Å; I137-V230 WeakPolarHBondContact O-CA 3.11Å; I139-V230 HydrophobicContact CD1-CG1 4.1Å; I139-V230 HydrophobicContact CD1-CG2 4.36Å; I139-V230 HydrophobicContact CG1-CG1 4.31Å; F224-V230 HydrophobicContact CB-CG2 4.24Å; K227-V230 HydrophobicContact CB-CB 4.43Å; K227-V230 HydrophobicContact CB-CG2 3.73Å; K227-V230 HydrophobicContact CG-CG2 4.47Å; K227-V230 PolarHBondContact O-N 3.49Å; V230-Y233 HydrophobicContact CG1-CD1 4.48Å; V230-Y233 HydrophobicContact CG1-CE1 3.86Å; V230-T278 HydrophobicContact CG1-CG2 3.94Å
231	L	98.8	Very high	97.4	Very high	4 Å²	4	28.4 Å²	28.4	2%	0.021	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	-43.1	-179.2	179.3	61.6	0	0	0	110.8	V46 F55 F65 V98 Y136 I137 I138 N229 L279 F281 F370	V46-L231 HydrophobicContact CB-CD1 3.78Å; V46-L231 HydrophobicContact CG1-CD1 3.87Å; V46-L231 HydrophobicContact CG2-CD1 4.12Å; F55-L231 HydrophobicContact CD1-CD1 4.46Å; F65-L231 HydrophobicContact CD1-CD2 4.37Å; F65-L231 HydrophobicContact CD2-CD2 4.12Å; F65-L231 HydrophobicContact CE1-CD1 4.45Å; F65-L231 HydrophobicContact CE1-CD2 4.31Å; F65-L231 HydrophobicContact CE2-CD1 4.01Å; F65-L231 HydrophobicContact CE2-CD2 4.05Å; F65-L231 HydrophobicContact CG-CD2 4.28Å; F65-L231 HydrophobicContact CZ-CD1 3.78Å; F65-L231 HydrophobicContact CZ-CD2 4.15Å; V98-L231 HydrophobicContact CG2-CD2 4.03Å; Y136-L231 HydrophobicContact CD1-CB 3.99Å; Y136-L231 HydrophobicContact CD1-CD1 4.35Å; Y136-L231 HydrophobicContact CG-CB 4.41Å; I137-L231 PolarHBondContact O-N 3.34Å; I138-L231 HydrophobicContact CD1-CD2 4.24Å; I138-L231 HydrophobicContact CG1-CB 4.3Å; I138-L231 HydrophobicContact CG1-CD2 3.99Å; I138-L231 HydrophobicContact CG1-CG 4.44Å; N229-L231 PolarHBondContact O-N 3.13Å; N229-L231 VanDerWaalsContact O-N 3.16Å; L231-L279 HydrophobicContact CD1-CD1 3.82Å; L231-L279 HydrophobicContact CG-CD1 4.28Å; L231-L279 VanDerWaalsContact O-CB 3.25Å; L231-L279 WeakPolarHBondContact O-CB 3.34Å; L231-L279 WeakPolarHBondContact O-CG 3.36Å; L231-L279 PolarHBondContact O-N 3.22Å; L231-F281 HydrophobicContact CD2-CZ 4.07Å; L231-F281 HydrophobicContact CG-CE2 4.24Å; L231-F281 HydrophobicContact CG-CZ 4.19Å; L231-F370 HydrophobicContact CD2-CE2 4.29Å
232	G	98.8	Very high	97.2	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.1	175.6	-176	0	0	0	0	0	115.7	I138 I139 L279	I138-G232 WeakPolarHBondContact CA-O 3.43Å; I139-G232 PolarHBondContact N-O 3.04Å; G232-L279 CarbonylContact C-O 3.59Å; G232-L279 WeakPolarHBondContact CA-O 3.19Å
233	Y	98.9	Very high	97.2	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	110.9	179.1	-58.2	-50.9	0	0	0	109.7	I139 W217 T220 T221 G225 V230 L235 I271 D275 T278 L279 I280 F281	I139-Y233 HydrophobicContact CB-CD1 4.2Å; I139-Y233 HydrophobicContact CD1-CD1 4.47Å; I139-Y233 HydrophobicContact CD1-CE1 4.14Å; I139-Y233 CarbonylContact O-C 3.56Å; W217-Y233 HydrophobicContact CE3-CD1 4.38Å; W217-Y233 HydrophobicContact CE3-CG 4.29Å; W217-Y233 VanDerWaalsContact CZ3-CB 3.5Å; W217-Y233 AromaticContact CZ3-CD1 3.72Å; W217-Y233 HydrophobicContact CZ3-CD1 3.72Å; W217-Y233 AromaticContact CZ3-CG 3.78Å; W217-Y233 HydrophobicContact CZ3-CG 3.78Å; T220-Y233 HydrophobicContact CG2-CD1 4.2Å; T220-Y233 HydrophobicContact CG2-CE1 3.97Å; T221-Y233 HydrophobicContact CG2-CD2 4.34Å; T221-Y233 HydrophobicContact CG2-CE1 4.48Å; T221-Y233 HydrophobicContact CG2-CE2 3.66Å; G225-Y233 WeakPolarHBondContact CA-OH 3.31Å; V230-Y233 HydrophobicContact CG1-CD1 4.48Å; V230-Y233 HydrophobicContact CG1-CE1 3.86Å; Y233-L235 PolarHBondContact O-N 3.48Å; Y233-I271 HydrophobicContact CD2-CG2 4.01Å; Y233-I271 HydrophobicContact CE2-CG2 4.05Å; Y233-D275 HydrophobicContact CE2-CB 4.47Å; Y233-D275 PolarHBondContact OH-OD2 3.06Å; Y233-T278 HydrophobicContact CD1-CG2 4.5Å; Y233-T278 HydrophobicContact CD2-CG2 3.79Å; Y233-T278 HydrophobicContact CE1-CG2 4.18Å; Y233-T278 HydrophobicContact CE2-CG2 3.41Å; Y233-T278 VanDerWaalsContact CE2-CG2 3.41Å; Y233-T278 HydrophobicContact CG-CG2 4.32Å; Y233-L279 PolarHBondContact N-O 3.4Å; Y233-I280 HydrophobicContact CD2-CD1 4.24Å; Y233-F281 WeakPolarHBondContact O-CA 3.22Å; Y233-F281 PolarHBondContact O-N 3.48Å; Y233-F281 VanDerWaalsContact O-O 3.1Å
234	N	98.8	Very high	97.1	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	109.6	171.6	-166.3	40.3	0	0	0	109.7	R100 I138 I139 D140 L141 W217 I236 F281 E283 S321	R100-N234 PolarHBondContact NE-ND2 3.14Å; R100-N234 PolarHBondContact NH2-ND2 2.65Å; I138-N234 HydrophobicContact CG2-CB 4.09Å; I139-N234 PolarHBondContact O-N 3.1Å; D140-N234 HydrophobicContact CB-CB 4.32Å; D140-N234 WeakPolarHBondContact OD1-CB 3.39Å; D140-N234 PolarHBondContact OD1-ND2 2.95Å; L141-N234 PolarHBondContact N-O 3.33Å; W217-N234 WeakPolarHBondContact CH2-O 3.5Å; W217-N234 WeakPolarHBondContact CZ2-O 3.46Å; N234-I236 VanDerWaalsContact C-N 3.32Å; N234-I236 PolarHBondContact O-N 2.88Å; N234-F281 WeakPolarHBondContact CA-O 3.19Å; N234-F281 HydrophobicContact CB-CB 3.91Å; N234-F281 PolarHBondContact OD1-O 3.34Å; N234-E283 PolarHBondContact ND2-OE1 3.3Å; N234-E283 PolarHBondContact OD1-OE1 2.89Å; N234-S321 PolarHBondContact OD1-OG 3.19Å
235	L	98.7	Very high	97	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	11%	0.107	C	C	.	.			trans	-62.8	-37.7	-165.1	-68.1	-177.6	0	0	0	113.4	L141 W217 Y233 Y264 L267 V268 I271 I280 F281	L141-L235 WeakPolarHBondContact CD2-O 3.41Å; W217-L235 HydrophobicContact CZ2-CD2 4.2Å; Y233-L235 PolarHBondContact O-N 3.48Å; L235-Y264 HydrophobicContact CB-CD1 4.14Å; L235-Y264 HydrophobicContact CB-CE1 4.04Å; L235-Y264 HydrophobicContact CD1-CD1 3.55Å; L235-Y264 HydrophobicContact CD1-CE1 4.22Å; L235-Y264 HydrophobicContact CD1-CG 3.73Å; L235-L267 HydrophobicContact CB-CD1 4.45Å; L235-L267 HydrophobicContact CD2-CB 4.27Å; L235-L267 HydrophobicContact CD2-CD1 4.31Å; L235-V268 HydrophobicContact CD1-CG2 4.35Å; L235-I271 HydrophobicContact CD2-CD1 3.58Å; L235-I280 HydrophobicContact CD1-CG2 3.69Å; L235-I280 HydrophobicContact CD2-CG2 4.22Å; L235-I280 HydrophobicContact CG-CG2 3.86Å; L235-F281 PolarHBondContact N-O 2.81Å
236	I	97.7	Very high	97	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.005	14%	0.135	C	C	.	.			trans	-164.8	135.6	174.9	-170.5	168.7	0	0	0	109.2	L141 Q143 N234 P239 Y264	L141-I236 WeakPolarHBondContact O-CA 3.04Å; Q143-I236 HydrophobicContact CG-CD1 4.14Å; Q143-I236 HydrophobicContact CG-CG1 3.87Å; N234-I236 VanDerWaalsContact C-N 3.32Å; N234-I236 PolarHBondContact O-N 2.88Å; I236-P239 HydrophobicContact CG2-CB 4Å; I236-P239 HydrophobicContact CG2-CG 4.18Å; I236-Y264 HydrophobicContact CG2-CE1 3.74Å; I236-Y264 VanDerWaalsContact CG2-OH 3.27Å; I236-Y264 WeakPolarHBondContact CG2-OH 3.21Å
237	N	97.7	Very high	97	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.106	C	C	.	.	S	Bend	trans	-74.3	132.4	173.9	-174.4	59.9	0	0	0	112.4	R100 L141 H142 Q143 D144 H323 E373	R100-N237 PolarHBondContact NH2-OD1 2.92Å; L141-N237 PolarHBondContact O-N 3.27Å; H142-N237 HydrophobicContact CB-CB 4.48Å; H142-N237 VanDerWaalsContact CE1-CG 3.44Å; H142-N237 PolarHBondContact CE1-ND2 3.38Å; H142-N237 PolarHBondContact NE2-ND2 2.85Å; Q143-N237 VanDerWaalsContact CG-O 3.24Å; Q143-N237 WeakPolarHBondContact CG-O 3.35Å; Q143-N237 PolarHBondContact NE2-O 3.18Å; D144-N237 PolarHBondContact OD1-ND2 3Å; D144-N237 VanDerWaalsContact OD1-ND2 3.11Å; N237-H323 PolarHBondContact OD1-CE1 3.03Å; N237-E373 PolarHBondContact OD1-OE1 3.23Å; N237-E373 VanDerWaalsContact OD1-OE1 3.12Å
238	E	95.6	Very high	96.9	Very high	30 Å²	30	24.6 Å²	24.6	14%	0.14	13%	0.125	C	C	.	.	S	Bend	trans	42	58.5	170.1	-64.2	-161	156.7	0	0	114.4	Q143 P240 E283 T286 H323	Q143-E238 PolarHBondContact NE2-O 2.98Å; Q143-E238 VanDerWaalsContact NE2-O 3.08Å; E238-P240 WeakPolarHBondContact O-CD 3.41Å; E238-E283 WeakPolarHBondContact CA-OE2 3.49Å; E238-E283 PolarHBondContact N-OE2 3.23Å; E238-T286 WeakPolarHBondContact CB-OG1 3.33Å; E238-T286 HydrophobicContact CG-CG2 4.11Å; E238-H323 VanDerWaalsContact CG-CE1 3.44Å; E238-H323 WeakPolarHBondContact CG-CE1 3.43Å; E238-H323 VanDerWaalsContact CG-ND1 3.25Å; E238-H323 WeakPolarHBondContact CG-ND1 3.29Å; E238-H323 IonicContact OE1-CE1 3.14Å; E238-H323 IonicContact OE1-CG 3.68Å; E238-H323 IonicContact OE1-ND1 2.7Å; E238-H323 PolarHBondContact OE1-ND1 3.49Å
239	P	96	Very high	96.9	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.139	C	C	.	.	P	Polyproline II helix	trans	-61.9	123.8	-178.3	26.7	-35	0	0	0	110.4	Y203 I236 L260 E283 S284 V285	Y203-P239 WeakPolarHBondContact OH-CB 3.29Å; I236-P239 HydrophobicContact CG2-CB 4Å; I236-P239 HydrophobicContact CG2-CG 4.18Å; P239-L260 HydrophobicContact CB-CD1 4.13Å; P239-L260 HydrophobicContact CB-CD2 3.73Å; P239-L260 HydrophobicContact CG-CD1 3.98Å; P239-L260 HydrophobicContact CG-CD2 4.24Å; P239-E283 HydrophobicContact CG-CB 4.14Å; P239-S284 VanDerWaalsContact CG-O 3.31Å; P239-S284 WeakPolarHBondContact CG-O 3.48Å; P239-V285 VanDerWaalsContact O-CA 3.32Å; P239-V285 WeakPolarHBondContact O-CA 3.4Å
240	P	95.6	Very high	96.7	Very high	13 Å²	13	27.5 Å²	27.5	8%	0.084	14%	0.139	C	C	.	.	P	Polyproline II helix	trans	-74	167.7	174.4	32.5	-36.7	0	0	0	110.7	Y190 F199 Y203 E238	Y190-P240 HydrophobicContact CD1-CB 3.76Å; Y190-P240 HydrophobicContact CD1-CG 3.77Å; Y190-P240 HydrophobicContact CE1-CB 4.12Å; Y190-P240 HydrophobicContact CE1-CG 3.83Å; Y190-P240 HydrophobicContact CG-CB 4.5Å; F199-P240 HydrophobicContact CB-CG 4.13Å; F199-P240 HydrophobicContact CD1-CG 3.56Å; F199-P240 HydrophobicContact CD2-CG 3.32Å; F199-P240 VanDerWaalsContact CE1-CD 3.47Å; F199-P240 HydrophobicContact CE1-CG 3.66Å; F199-P240 HydrophobicContact CE2-CG 3.46Å; F199-P240 VanDerWaalsContact CE2-CG 3.46Å; F199-P240 HydrophobicContact CG-CG 3.38Å; F199-P240 HydrophobicContact CZ-CG 3.6Å; Y203-P240 WeakPolarHBondContact CE2-O 3.24Å; Y203-P240 PolarHBondContact OH-O 3.22Å; E238-P240 WeakPolarHBondContact O-CD 3.41Å
241	P	94.6	Very high	96.4	Very high	15 Å²	15	31.4 Å²	31.4	10%	0.097	16%	0.159	C	C	.	.	P	Polyproline II helix	trans	-60.9	162.6	167.1	30.3	-36.8	0	0	0	110.8	F244 L250 L251 A256 V285	P241-F244 HydrophobicContact CG-CD1 4.24Å; P241-L250 VanDerWaalsContact CB-O 3.32Å; P241-L250 WeakPolarHBondContact CB-O 3.43Å; P241-L251 HydrophobicContact CG-CD2 4.29Å; P241-A256 HydrophobicContact CB-CB 4.37Å; P241-V285 HydrophobicContact CB-CG1 4.44Å
242	G	95	Very high	96	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.01	18%	0.179	C	C	.	.	S	Bend	trans	-71	-155.7	171.4	0	0	0	0	0	113.2	E200 F244	E200-G242 WeakPolarHBondContact OE2-CA 3.4Å; G242-F244 VanDerWaalsContact C-N 3.35Å; G242-F244 WeakPolarHBondContact O-CD1 3.05Å; G242-F244 PolarHBondContact O-N 2.99Å
243	N	96.7	Very high	95.4	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.005	18%	0.18	C	C	.	.			trans	-76	83.2	-172.4	-167.7	-27	0	0	0	111.8	A196 E200 Y245 L246 N247	A196-N243 HydrophobicContact CB-CB 4.45Å; A196-N243 PolarHBondContact O-N 3.11Å; E200-N243 HydrophobicContact CB-CB 3.69Å; E200-N243 HydrophobicContact CG-CB 3.87Å; E200-N243 PolarHBondContact OE2-N 2.84Å; N243-Y245 PolarHBondContact O-N 3.29Å; N243-Y245 WeakPolarHBondContact OD1-CB 3.38Å; N243-Y245 PolarHBondContact OD1-N 2.84Å; N243-Y245 VanDerWaalsContact OD1-N 3.17Å; N243-L246 HydrophobicContact CB-CD1 4.48Å; N243-L246 PolarHBondContact O-N 3.35Å; N243-L246 VanDerWaalsContact O-N 3.15Å; N243-L246 PolarHBondContact OD1-N 3.19Å; N243-N247 PolarHBondContact O-N 3.06Å
244	F	96.5	Very high	94.7	Very high	35 Å²	35	38.4 Å²	38.4	15%	0.154	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-12.4	179.5	59.1	-96.9	0	0	0	114.2	A196 P241 G242 N247 P248 L250 L251	A196-F244 HydrophobicContact CB-CD1 4.11Å; A196-F244 HydrophobicContact CB-CE1 3.81Å; A196-F244 HydrophobicContact CB-CZ 4.43Å; P241-F244 HydrophobicContact CG-CD1 4.24Å; G242-F244 VanDerWaalsContact C-N 3.35Å; G242-F244 WeakPolarHBondContact O-CD1 3.05Å; G242-F244 PolarHBondContact O-N 2.99Å; F244-N247 WeakPolarHBondContact CA-O 3.29Å; F244-N247 CarbonylContact O-C 3.32Å; F244-P248 WeakPolarHBondContact O-CA 3.18Å; F244-P248 VanDerWaalsContact O-N 3.09Å; F244-L250 HydrophobicContact CB-CB 4.44Å; F244-L251 HydrophobicContact CB-CD1 4.4Å; F244-L251 HydrophobicContact CB-CD2 3.88Å; F244-L251 HydrophobicContact CB-CG 3.77Å; F244-L251 HydrophobicContact CD1-CD2 4.03Å; F244-L251 HydrophobicContact CD2-CD2 4.38Å; F244-L251 HydrophobicContact CG-CD2 3.84Å; F244-L251 HydrophobicContact CG-CG 4.19Å
245	Y	97.1	Very high	94.1	Very high	74 Å²	74	41.4 Å²	41.4	29%	0.29	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-38.4	170.6	-68.1	-85.8	0	0	0	112	W175 P176 A191 Y193 A196 N243	W175-Y245 AromaticContact CH2-CD1 3.98Å; W175-Y245 HydrophobicContact CH2-CD1 3.98Å; W175-Y245 AromaticContact CH2-CE1 3.77Å; W175-Y245 HydrophobicContact CH2-CE1 3.77Å; W175-Y245 AromaticContact CZ3-CD1 3.82Å; W175-Y245 HydrophobicContact CZ3-CD1 3.82Å; W175-Y245 AromaticContact CZ3-CE1 3.51Å; W175-Y245 HydrophobicContact CZ3-CE1 3.51Å; W175-Y245 HydrophobicContact CZ3-CE2 4.44Å; W175-Y245 HydrophobicContact CZ3-CG 4.41Å; W175-Y245 AromaticContact CZ3-CZ 3.86Å; P176-Y245 WeakPolarHBondContact CD-OH 3.46Å; P176-Y245 VanDerWaalsContact CG-OH 3.29Å; P176-Y245 WeakPolarHBondContact CG-OH 3.38Å; A191-Y245 PolarHBondContact O-OH 2.75Å; Y193-Y245 HydrophobicContact CD2-CD1 4.23Å; Y193-Y245 AromaticContact CD2-CD2 3.58Å; Y193-Y245 HydrophobicContact CD2-CD2 3.58Å; Y193-Y245 HydrophobicContact CD2-CE2 4.32Å; Y193-Y245 AromaticContact CD2-CG 3.53Å; Y193-Y245 HydrophobicContact CD2-CG 3.53Å; Y193-Y245 HydrophobicContact CE2-CD2 4.4Å; Y193-Y245 HydrophobicContact CE2-CG 4.11Å; Y193-Y245 HydrophobicContact CG-CD2 4.17Å; A196-Y245 HydrophobicContact CB-CD2 4.41Å; N243-Y245 PolarHBondContact O-N 3.29Å; N243-Y245 WeakPolarHBondContact OD1-CB 3.38Å; N243-Y245 PolarHBondContact OD1-N 2.84Å; N243-Y245 VanDerWaalsContact OD1-N 3.17Å
246	L	96.1	Very high	93.7	Very high	124 Å²	124	41.5 Å²	41.5	65%	0.649	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-32.2	176.3	-64.8	-178.8	0	0	0	111.8	N243	N243-L246 HydrophobicContact CB-CD1 4.48Å; N243-L246 PolarHBondContact O-N 3.35Å; N243-L246 VanDerWaalsContact O-N 3.15Å; N243-L246 PolarHBondContact OD1-N 3.19Å
247	N	96.1	Very high	93.4	Very high	59 Å²	59	41.5 Å²	41.5	32%	0.316	21%	0.213	S	C	.	.			trans	-140.7	92.8	176.1	-179.6	9.8	0	0	0	111.1	N243 F244 F249 L250	N243-N247 PolarHBondContact O-N 3.06Å; F244-N247 WeakPolarHBondContact CA-O 3.29Å; F244-N247 CarbonylContact O-C 3.32Å; N247-F249 PolarHBondContact O-N 3.5Å; N247-F249 WeakPolarHBondContact OD1-CB 2.84Å; N247-F249 WeakPolarHBondContact OD1-CD2 3.43Å; N247-F249 PolarHBondContact OD1-N 3.32Å; N247-L250 HydrophobicContact CB-CD1 3.96Å; N247-L250 HydrophobicContact CB-CG 4.21Å; N247-L250 WeakPolarHBondContact O-CB 3.45Å; N247-L250 PolarHBondContact O-N 2.95Å
248	P	95.9	Very high	92.9	Very high	84 Å²	84	46.3 Å²	46.3	55%	0.545	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-55.9	-23.9	-179.7	-28.1	35.7	0	0	0	114.5	F244 L250 L251	F244-P248 WeakPolarHBondContact O-CA 3.18Å; F244-P248 VanDerWaalsContact O-N 3.09Å; P248-L250 PolarHBondContact O-N 2.92Å; P248-L251 WeakPolarHBondContact O-CB 3.13Å; P248-L251 PolarHBondContact O-N 2.81Å; P248-L251 VanDerWaalsContact O-N 3.12Å
249	F	93.5	Very high	92.6	Very high	133 Å²	133	46.4 Å²	46.4	58%	0.583	24%	0.237	S	C	*	.	G	3₁₀ helix	trans	-67.6	-13.5	177.2	-61.3	-73	0	0	0	113.7	N247 L251 L252 I255	N247-F249 PolarHBondContact O-N 3.5Å; N247-F249 WeakPolarHBondContact OD1-CB 2.84Å; N247-F249 WeakPolarHBondContact OD1-CD2 3.43Å; N247-F249 PolarHBondContact OD1-N 3.32Å; F249-L251 PolarHBondContact O-N 3.16Å; F249-L252 HydrophobicContact CD1-CD1 4.1Å; F249-L252 VanDerWaalsContact O-CB 3.3Å; F249-L252 WeakPolarHBondContact O-CB 3.42Å; F249-L252 PolarHBondContact O-N 2.83Å; F249-I255 HydrophobicContact CB-CD1 3.47Å; F249-I255 VanDerWaalsContact CB-CD1 3.47Å; F249-I255 HydrophobicContact CG-CD1 4.36Å
250	L	93.8	Very high	92.6	Very high	2 Å²	2	46.4 Å²	46.4	1%	0.01	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-65.5	-15.3	170.4	-73.1	165.9	0	0	0	113.2	E200 P241 F244 N247 P248 L252 I255 A256	E200-L250 WeakPolarHBondContact OE2-CD1 3.13Å; P241-L250 VanDerWaalsContact CB-O 3.32Å; P241-L250 WeakPolarHBondContact CB-O 3.43Å; F244-L250 HydrophobicContact CB-CB 4.44Å; N247-L250 HydrophobicContact CB-CD1 3.96Å; N247-L250 HydrophobicContact CB-CG 4.21Å; N247-L250 WeakPolarHBondContact O-CB 3.45Å; N247-L250 PolarHBondContact O-N 2.95Å; P248-L250 PolarHBondContact O-N 2.92Å; L250-L252 PolarHBondContact O-N 2.78Å; L250-I255 HydrophobicContact CD2-CG2 3.86Å; L250-A256 WeakPolarHBondContact O-CB 3.38Å
251	L	92.7	Very high	92.6	Very high	83 Å²	83	46.2 Å²	46.2	44%	0.435	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-71.9	-16.2	168.8	-64.1	173.9	0	0	0	112.4	P241 F244 P248 F249 P253 Y287	P241-L251 HydrophobicContact CG-CD2 4.29Å; F244-L251 HydrophobicContact CB-CD1 4.4Å; F244-L251 HydrophobicContact CB-CD2 3.88Å; F244-L251 HydrophobicContact CB-CG 3.77Å; F244-L251 HydrophobicContact CD1-CD2 4.03Å; F244-L251 HydrophobicContact CD2-CD2 4.38Å; F244-L251 HydrophobicContact CG-CD2 3.84Å; F244-L251 HydrophobicContact CG-CG 4.19Å; P248-L251 WeakPolarHBondContact O-CB 3.13Å; P248-L251 PolarHBondContact O-N 2.81Å; P248-L251 VanDerWaalsContact O-N 3.12Å; F249-L251 PolarHBondContact O-N 3.16Å; L251-P253 WeakPolarHBondContact O-CD 3.31Å; L251-Y287 WeakPolarHBondContact O-CE2 3.4Å; L251-Y287 PolarHBondContact O-OH 3.14Å
252	L	90.5	Very high	92.7	Very high	83 Å²	83	49.1 Å²	49.1	44%	0.435	25%	0.249	S	C	.	.	S	Bend	trans	-82.9	120.8	170.2	-58.6	176.1	0	0	0	108.1	F249 L250 N254 I255 A256	F249-L252 HydrophobicContact CD1-CD1 4.1Å; F249-L252 VanDerWaalsContact O-CB 3.3Å; F249-L252 WeakPolarHBondContact O-CB 3.42Å; F249-L252 PolarHBondContact O-N 2.83Å; L250-L252 PolarHBondContact O-N 2.78Å; L252-N254 PolarHBondContact O-N 2.9Å; L252-I255 PolarHBondContact O-N 3.42Å; L252-A256 PolarHBondContact O-N 2.87Å
253	P	85.4	Confident	92.8	Very high	3 Å²	3	49 Å²	49	2%	0.019	25%	0.249	C	C	.	.	H	α-helix	trans	-54.1	-28.9	-179.9	-30.9	36.9	0	0	0	114.3	L251 I255 A256 G257 V285 Y287 F291 G299	L251-P253 WeakPolarHBondContact O-CD 3.31Å; P253-I255 PolarHBondContact O-N 2.83Å; P253-A256 PolarHBondContact O-N 3.42Å; P253-G257 WeakPolarHBondContact O-CA 3.43Å; P253-G257 PolarHBondContact O-N 3.02Å; P253-V285 HydrophobicContact CB-CG2 3.92Å; P253-V285 HydrophobicContact CG-CG2 4.14Å; P253-Y287 HydrophobicContact CG-CD2 3.89Å; P253-Y287 HydrophobicContact CG-CE2 3.65Å; P253-F291 HydrophobicContact CG-CB 4.16Å; P253-F291 HydrophobicContact CG-CD1 4.09Å; P253-F291 HydrophobicContact CG-CD2 3.65Å; P253-F291 HydrophobicContact CG-CE1 4.41Å; P253-F291 HydrophobicContact CG-CE2 4.02Å; P253-F291 HydrophobicContact CG-CG 3.69Å; P253-F291 HydrophobicContact CG-CZ 4.37Å; P253-G299 WeakPolarHBondContact CB-O 3.19Å; P253-G299 WeakPolarHBondContact CG-O 3.48Å
254	N	84.5	Confident	92.9	Very high	65 Å²	65	49 Å²	49	35%	0.348	25%	0.248	S	C	.	.	H	α-helix	trans	-56.3	-38	179.4	-162.7	6	0	0	0	112.5	L252 I297 G301	L252-N254 PolarHBondContact O-N 2.9Å; N254-I297 VanDerWaalsContact OD1-CG2 3.29Å; N254-I297 WeakPolarHBondContact OD1-CG2 3.48Å; N254-G301 VanDerWaalsContact CA-CA 3.48Å
255	I	86.7	Confident	93	Very high	63 Å²	63	47.9 Å²	47.9	32%	0.323	24%	0.244	S	C	.	.	H	α-helix	trans	-90	-41	-178.2	-64.3	163.4	0	0	0	110.4	F249 L250 L252 P253 G257 H258	F249-I255 HydrophobicContact CB-CD1 3.47Å; F249-I255 VanDerWaalsContact CB-CD1 3.47Å; F249-I255 HydrophobicContact CG-CD1 4.36Å; L250-I255 HydrophobicContact CD2-CG2 3.86Å; L252-I255 PolarHBondContact O-N 3.42Å; P253-I255 PolarHBondContact O-N 2.83Å; I255-G257 PolarHBondContact O-N 3.36Å; I255-H258 PolarHBondContact O-N 3.1Å
256	A	90.8	Very high	93	Very high	3 Å²	3	47.1 Å²	47.1	3%	0.025	24%	0.241	C	C	.	.	H	α-helix	trans	-62.7	-41.9	176.8	0	0	0	0	0	112.7	P241 L250 L252 P253 H258 N259 L260 V285	P241-A256 HydrophobicContact CB-CB 4.37Å; L250-A256 WeakPolarHBondContact O-CB 3.38Å; L252-A256 PolarHBondContact O-N 2.87Å; P253-A256 PolarHBondContact O-N 3.42Å; A256-H258 VanDerWaalsContact C-N 3.28Å; A256-H258 PolarHBondContact O-N 3.25Å; A256-N259 PolarHBondContact O-N 3.3Å; A256-L260 PolarHBondContact O-N 3.49Å; A256-L260 VanDerWaalsContact O-N 3.12Å; A256-V285 HydrophobicContact CB-CG1 3.59Å
257	G	90.7	Very high	93.1	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-61.1	-34.2	178.9	0	0	0	0	0	113.3	P253 I255 L260 L261 T300	P253-G257 WeakPolarHBondContact O-CA 3.43Å; P253-G257 PolarHBondContact O-N 3.02Å; I255-G257 PolarHBondContact O-N 3.36Å; G257-L260 PolarHBondContact O-N 2.8Å; G257-L261 VanDerWaalsContact O-CB 3.31Å; G257-L261 WeakPolarHBondContact O-CB 3.21Å; G257-L261 PolarHBondContact O-N 3.16Å; G257-T300 WeakPolarHBondContact CA-O 3.17Å
258	H	88.1	Confident	93.3	Very high	101 Å²	101	38.7 Å²	38.7	47%	0.468	20%	0.197	S	C	.	.	H	α-helix	trans	-63.7	-44.9	175.9	-175.2	76.8	0	0	0	112.2	I255 A256 L261 L262	I255-H258 PolarHBondContact O-N 3.1Å; A256-H258 VanDerWaalsContact C-N 3.28Å; A256-H258 PolarHBondContact O-N 3.25Å; H258-L261 PolarHBondContact O-N 3.32Å; H258-L262 PolarHBondContact O-N 2.8Å
259	N	89.1	Confident	93.4	Very high	32 Å²	32	38.7 Å²	38.7	17%	0.171	19%	0.192	C	C	.	.	H	α-helix	trans	-65	-42.3	177.9	-72.6	-7.2	0	0	0	111.7	A256 L261 L262 F263	A256-N259 PolarHBondContact O-N 3.3Å; N259-L261 VanDerWaalsContact C-N 3.33Å; N259-L261 PolarHBondContact O-N 3.09Å; N259-L262 PolarHBondContact O-N 2.79Å; N259-F263 PolarHBondContact O-N 2.91Å
260	L	95.5	Very high	93.6	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.005	17%	0.166	C	C	.	.	H	α-helix	trans	-60.9	-42.1	175.1	-76.1	171.9	0	0	0	112	Y203 P239 A256 G257 L262 F263 Y264 V285 M302	Y203-L260 HydrophobicContact CD1-CD2 3.84Å; Y203-L260 HydrophobicContact CE1-CD2 3.33Å; Y203-L260 HydrophobicContact CE2-CD2 4.13Å; Y203-L260 HydrophobicContact CG-CD2 4.44Å; Y203-L260 VanDerWaalsContact CZ-CD2 3.49Å; P239-L260 HydrophobicContact CB-CD1 4.13Å; P239-L260 HydrophobicContact CB-CD2 3.73Å; P239-L260 HydrophobicContact CG-CD1 3.98Å; P239-L260 HydrophobicContact CG-CD2 4.24Å; A256-L260 PolarHBondContact O-N 3.49Å; A256-L260 VanDerWaalsContact O-N 3.12Å; G257-L260 PolarHBondContact O-N 2.8Å; L260-L262 VanDerWaalsContact C-N 3.34Å; L260-L262 PolarHBondContact O-N 3.43Å; L260-F263 WeakPolarHBondContact O-CB 3.45Å; L260-F263 PolarHBondContact O-N 3.09Å; L260-Y264 HydrophobicContact CB-CE2 4.23Å; L260-Y264 VanDerWaalsContact O-CG 3.26Å; L260-Y264 PolarHBondContact O-N 2.69Å; L260-V285 HydrophobicContact CD1-CG1 3.82Å; L260-M302 HydrophobicContact CB-CE 3.57Å; L260-M302 HydrophobicContact CD1-CE 4.17Å
261	L	96	Very high	93.9	Very high	8 Å²	8	32.4 Å²	32.4	4%	0.042	17%	0.165	C	C	.	.	H	α-helix	trans	-63.2	-38.6	-178.2	-175.4	58.4	0	0	0	112.6	G257 H258 N259 Y264 D265 M302 R304 P306	G257-L261 VanDerWaalsContact O-CB 3.31Å; G257-L261 WeakPolarHBondContact O-CB 3.21Å; G257-L261 PolarHBondContact O-N 3.16Å; H258-L261 PolarHBondContact O-N 3.32Å; N259-L261 VanDerWaalsContact C-N 3.33Å; N259-L261 PolarHBondContact O-N 3.09Å; L261-Y264 PolarHBondContact O-N 3.35Å; L261-D265 VanDerWaalsContact O-CG 3.25Å; L261-D265 PolarHBondContact O-N 3.21Å; L261-M302 HydrophobicContact CB-CG 4.43Å; L261-R304 HydrophobicContact CD2-CG 3.83Å; L261-P306 HydrophobicContact CD1-CB 4.32Å; L261-P306 HydrophobicContact CD1-CG 3.96Å
262	L	95.3	Very high	94.1	Very high	76 Å²	76	29.6 Å²	29.6	40%	0.398	15%	0.149	S	C	.	.	H	α-helix	trans	-64	-41.9	175.2	-68.3	175.7	0	0	0	112.1	W210 H258 N259 L260 D265 Y266	W210-L262 HydrophobicContact CH2-CB 4.33Å; H258-L262 PolarHBondContact O-N 2.8Å; N259-L262 PolarHBondContact O-N 2.79Å; L260-L262 VanDerWaalsContact C-N 3.34Å; L260-L262 PolarHBondContact O-N 3.43Å; L262-D265 PolarHBondContact O-N 3.44Å; L262-Y266 PolarHBondContact O-N 3.48Å
263	F	97.7	Very high	94.5	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-61.4	-45.8	174	169.3	-128.4	0	0	0	111.2	I202 Y203 W210 F213 N259 L260 Y266 L267	I202-F263 HydrophobicContact CG2-CE1 4.48Å; I202-F263 HydrophobicContact CG2-CE2 4.41Å; I202-F263 HydrophobicContact CG2-CZ 4.18Å; Y203-F263 HydrophobicContact CD1-CD1 4.32Å; W210-F263 AromaticContact CD1-CD2 3.51Å; W210-F263 AromaticContact CD1-CE2 3.79Å; W210-F263 HydrophobicContact CD2-CD2 4.22Å; W210-F263 AromaticContact CE2-CD2 3.73Å; W210-F263 HydrophobicContact CG-CD2 4.09Å; W210-F263 HydrophobicContact CG-CE2 4.4Å; W210-F263 VanDerWaalsContact CZ2-CA 3.48Å; W210-F263 HydrophobicContact CZ2-CB 3.86Å; W210-F263 HydrophobicContact CZ2-CD2 4.38Å; W210-F263 AromaticContact NE1-CD2 3.27Å; W210-F263 VanDerWaalsContact NE1-CD2 3.27Å; W210-F263 AromaticContact NE1-CE2 3.99Å; W210-F263 AromaticContact NE1-CG 3.99Å; F213-F263 HydrophobicContact CB-CE2 4.26Å; F213-F263 HydrophobicContact CB-CZ 4.43Å; F213-F263 HydrophobicContact CD1-CE2 4.34Å; F213-F263 AromaticContact CD1-CZ 3.72Å; F213-F263 HydrophobicContact CD1-CZ 3.72Å; F213-F263 HydrophobicContact CD2-CE2 4.15Å; F213-F263 HydrophobicContact CD2-CZ 4.15Å; F213-F263 AromaticContact CE1-CZ 3.86Å; F213-F263 HydrophobicContact CE1-CZ 3.86Å; F213-F263 HydrophobicContact CE2-CZ 4.28Å; F213-F263 HydrophobicContact CG-CE2 4.02Å; F213-F263 AromaticContact CG-CZ 3.87Å; F213-F263 HydrophobicContact CG-CZ 3.87Å; F213-F263 HydrophobicContact CZ-CZ 4.15Å; N259-F263 PolarHBondContact O-N 2.91Å; L260-F263 WeakPolarHBondContact O-CB 3.45Å; L260-F263 PolarHBondContact O-N 3.09Å; F263-Y266 WeakPolarHBondContact O-CB 3.44Å; F263-Y266 PolarHBondContact O-N 3.46Å; F263-L267 HydrophobicContact CD2-CD1 4.3Å; F263-L267 HydrophobicContact CD2-CG 4.15Å; F263-L267 HydrophobicContact CE1-CD1 3.95Å; F263-L267 HydrophobicContact CE2-CD1 3.67Å; F263-L267 HydrophobicContact CE2-CD2 3.93Å; F263-L267 HydrophobicContact CE2-CG 3.8Å; F263-L267 HydrophobicContact CZ-CD1 3.49Å; F263-L267 VanDerWaalsContact CZ-CD1 3.49Å; F263-L267 HydrophobicContact CZ-CD2 4.48Å; F263-L267 HydrophobicContact CZ-CG 4.16Å; F263-L267 WeakPolarHBondContact O-CG 3.16Å; F263-L267 PolarHBondContact O-N 2.85Å; F263-L267 VanDerWaalsContact O-N 3.09Å
264	Y	98.5	Very high	95	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-65.7	-39.6	177.8	-62.5	-23.2	0	0	0	113.2	L235 I236 L260 L261 Y266 L267 V268 Y282 E283 M302 P306	L235-Y264 HydrophobicContact CB-CD1 4.14Å; L235-Y264 HydrophobicContact CB-CE1 4.04Å; L235-Y264 HydrophobicContact CD1-CD1 3.55Å; L235-Y264 HydrophobicContact CD1-CE1 4.22Å; L235-Y264 HydrophobicContact CD1-CG 3.73Å; I236-Y264 HydrophobicContact CG2-CE1 3.74Å; I236-Y264 VanDerWaalsContact CG2-OH 3.27Å; I236-Y264 WeakPolarHBondContact CG2-OH 3.21Å; L260-Y264 HydrophobicContact CB-CE2 4.23Å; L260-Y264 VanDerWaalsContact O-CG 3.26Å; L260-Y264 PolarHBondContact O-N 2.69Å; L261-Y264 PolarHBondContact O-N 3.35Å; Y264-Y266 PolarHBondContact O-N 3.28Å; Y264-L267 PolarHBondContact O-N 3.32Å; Y264-L267 VanDerWaalsContact O-N 3.16Å; Y264-V268 WeakPolarHBondContact O-CB 3.25Å; Y264-V268 VanDerWaalsContact O-CG2 3.32Å; Y264-V268 WeakPolarHBondContact O-CG2 3.37Å; Y264-V268 PolarHBondContact O-N 2.88Å; Y264-Y282 HydrophobicContact CE2-CD2 4.49Å; Y264-E283 WeakPolarHBondContact CE2-O 3.5Å; Y264-E283 PolarHBondContact OH-O 2.79Å; Y264-M302 HydrophobicContact CD2-CE 4.09Å; Y264-M302 HydrophobicContact CE2-CE 3.69Å; Y264-P306 HydrophobicContact CD2-CG 3.98Å; Y264-P306 HydrophobicContact CG-CG 4.28Å
265	D	98.3	Very high	95.7	Very high	12 Å²	12	31.4 Å²	31.4	6%	0.064	16%	0.157	C	C	.	.	H	α-helix	trans	-56.8	-42.3	175.2	-74.3	-27.9	0	0	0	111.6	L261 L262 N269 R304 P306 G307	L261-D265 VanDerWaalsContact O-CG 3.25Å; L261-D265 PolarHBondContact O-N 3.21Å; L262-D265 PolarHBondContact O-N 3.44Å; D265-N269 WeakPolarHBondContact O-CB 3.08Å; D265-N269 PolarHBondContact O-N 3.37Å; D265-R304 IonicContact OD1-CZ 3.24Å; D265-R304 IonicContact OD1-NH1 3.78Å; D265-R304 PolarHBondContact OD1-NH1 2.91Å; D265-R304 IonicContact OD1-NH2 3.77Å; D265-R304 IonicContact OD2-CZ 2.72Å; D265-R304 VanDerWaalsContact OD2-CZ 3.22Å; D265-R304 IonicContact OD2-NH1 3.22Å; D265-R304 PolarHBondContact OD2-NH1 3.48Å; D265-R304 IonicContact OD2-NH2 2.88Å; D265-R304 PolarHBondContact OD2-NH2 2.04Å; D265-P306 WeakPolarHBondContact OD1-CA 3.25Å; D265-G307 PolarHBondContact OD1-N 3.39Å
266	Y	98.2	Very high	96.1	Very high	57 Å²	57	34.2 Å²	34.2	22%	0.224	17%	0.167	C	C	.	.	H	α-helix	trans	-63.2	-47.8	176.1	175.7	-93	0	0	0	111.7	W210 N211 A214 L262 F263 Y264 V268 N269 V270	W210-Y266 HydrophobicContact CB-CD1 3.72Å; W210-Y266 HydrophobicContact CB-CE1 3.48Å; W210-Y266 VanDerWaalsContact CB-CE1 3.48Å; W210-Y266 AromaticContact CD2-CD1 4Å; W210-Y266 HydrophobicContact CD2-CD1 4Å; W210-Y266 HydrophobicContact CD2-CG 4.07Å; W210-Y266 AromaticContact CE3-CD1 3.67Å; W210-Y266 HydrophobicContact CE3-CD1 3.67Å; W210-Y266 AromaticContact CE3-CD2 3.66Å; W210-Y266 HydrophobicContact CE3-CD2 3.66Å; W210-Y266 HydrophobicContact CE3-CE1 4.31Å; W210-Y266 HydrophobicContact CE3-CE2 4.29Å; W210-Y266 AromaticContact CE3-CG 3.3Å; W210-Y266 HydrophobicContact CE3-CG 3.3Å; W210-Y266 HydrophobicContact CG-CD1 4.09Å; W210-Y266 HydrophobicContact CG-CE1 4.34Å; W210-Y266 HydrophobicContact CZ3-CD2 4.07Å; W210-Y266 AromaticContact CZ3-CG 3.79Å; W210-Y266 HydrophobicContact CZ3-CG 3.79Å; W210-Y266 WeakPolarHBondContact O-CE1 3.46Å; N211-Y266 PolarHBondContact OD1-OH 3.4Å; N211-Y266 VanDerWaalsContact OD1-OH 3.08Å; A214-Y266 HydrophobicContact CB-CE1 3.88Å; L262-Y266 PolarHBondContact O-N 3.48Å; F263-Y266 WeakPolarHBondContact O-CB 3.44Å; F263-Y266 PolarHBondContact O-N 3.46Å; Y264-Y266 PolarHBondContact O-N 3.28Å; Y266-V268 PolarHBondContact O-N 3.4Å; Y266-N269 PolarHBondContact O-N 3.37Å; Y266-V270 HydrophobicContact CD1-CG2 4.46Å; Y266-V270 HydrophobicContact CE1-CG2 3.98Å; Y266-V270 WeakPolarHBondContact O-CG2 3.08Å; Y266-V270 PolarHBondContact O-N 3.11Å
267	L	98.7	Very high	96.4	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-63.1	-41.8	178.1	-64.3	-172.2	0	0	0	112.5	F213 L235 F263 Y264 N269 V270 I271	F213-L267 HydrophobicContact CB-CD2 3.64Å; L235-L267 HydrophobicContact CB-CD1 4.45Å; L235-L267 HydrophobicContact CD2-CB 4.27Å; L235-L267 HydrophobicContact CD2-CD1 4.31Å; F263-L267 HydrophobicContact CD2-CD1 4.3Å; F263-L267 HydrophobicContact CD2-CG 4.15Å; F263-L267 HydrophobicContact CE1-CD1 3.95Å; F263-L267 HydrophobicContact CE2-CD1 3.67Å; F263-L267 HydrophobicContact CE2-CD2 3.93Å; F263-L267 HydrophobicContact CE2-CG 3.8Å; F263-L267 HydrophobicContact CZ-CD1 3.49Å; F263-L267 VanDerWaalsContact CZ-CD1 3.49Å; F263-L267 HydrophobicContact CZ-CD2 4.48Å; F263-L267 HydrophobicContact CZ-CG 4.16Å; F263-L267 WeakPolarHBondContact O-CG 3.16Å; F263-L267 PolarHBondContact O-N 2.85Å; F263-L267 VanDerWaalsContact O-N 3.09Å; Y264-L267 PolarHBondContact O-N 3.32Å; Y264-L267 VanDerWaalsContact O-N 3.16Å; L267-N269 PolarHBondContact O-N 2.79Å; L267-V270 WeakPolarHBondContact O-CB 3.33Å; L267-V270 PolarHBondContact O-N 2.55Å; L267-I271 WeakPolarHBondContact O-CG1 3.25Å; L267-I271 PolarHBondContact O-N 2.96Å
268	V	98.7	Very high	96.7	Very high	7 Å²	7	38 Å²	38	4%	0.042	19%	0.187	C	C	.	.	H	α-helix	trans	-62.7	-43.5	176.6	172.3	0	0	0	0	110.7	L235 Y264 Y266 V270 I271 R272 I280 P306	L235-V268 HydrophobicContact CD1-CG2 4.35Å; Y264-V268 WeakPolarHBondContact O-CB 3.25Å; Y264-V268 VanDerWaalsContact O-CG2 3.32Å; Y264-V268 WeakPolarHBondContact O-CG2 3.37Å; Y264-V268 PolarHBondContact O-N 2.88Å; Y266-V268 PolarHBondContact O-N 3.4Å; V268-V270 VanDerWaalsContact C-N 3.27Å; V268-V270 PolarHBondContact O-N 2.91Å; V268-I271 PolarHBondContact O-N 2.82Å; V268-R272 HydrophobicContact CG1-CG 3.92Å; V268-R272 VanDerWaalsContact O-CB 3.28Å; V268-R272 WeakPolarHBondContact O-CB 3.31Å; V268-R272 WeakPolarHBondContact O-CG 3.45Å; V268-R272 PolarHBondContact O-N 2.82Å; V268-I280 HydrophobicContact CG1-CG1 4.41Å; V268-I280 HydrophobicContact CG2-CB 4.31Å; V268-I280 HydrophobicContact CG2-CD1 4.14Å; V268-I280 HydrophobicContact CG2-CG1 3.83Å; V268-I280 HydrophobicContact CG2-CG2 3.72Å; V268-P306 HydrophobicContact CG2-CB 3.77Å
269	N	98.3	Very high	97.2	Very high	84 Å²	84	33.1 Å²	33.1	45%	0.449	16%	0.164	S	C	.	.	H	α-helix	trans	-59.3	-40.3	175.4	-175.6	23.6	0	0	0	111.7	D265 Y266 L267 Q273	D265-N269 WeakPolarHBondContact O-CB 3.08Å; D265-N269 PolarHBondContact O-N 3.37Å; Y266-N269 PolarHBondContact O-N 3.37Å; L267-N269 PolarHBondContact O-N 2.79Å; N269-Q273 WeakPolarHBondContact O-CG 3.38Å; N269-Q273 PolarHBondContact O-N 3.23Å
270	V	98.4	Very high	97.7	Very high	3 Å²	3	31.6 Å²	31.6	2%	0.018	16%	0.156	C	C	.	.	H	α-helix	trans	-64.5	-51.2	174.8	171.2	0	0	0	0	111.6	A214 R218 Y266 L267 V268 R272 Q273	A214-V270 HydrophobicContact CB-CB 4.33Å; A214-V270 HydrophobicContact CB-CG1 3.86Å; A214-V270 HydrophobicContact CB-CG2 3.78Å; R218-V270 HydrophobicContact CG-CG1 3.62Å; Y266-V270 HydrophobicContact CD1-CG2 4.46Å; Y266-V270 HydrophobicContact CE1-CG2 3.98Å; Y266-V270 WeakPolarHBondContact O-CG2 3.08Å; Y266-V270 PolarHBondContact O-N 3.11Å; L267-V270 WeakPolarHBondContact O-CB 3.33Å; L267-V270 PolarHBondContact O-N 2.55Å; V268-V270 VanDerWaalsContact C-N 3.27Å; V268-V270 PolarHBondContact O-N 2.91Å; V270-R272 VanDerWaalsContact C-N 3.25Å; V270-R272 PolarHBondContact O-N 2.97Å; V270-Q273 WeakPolarHBondContact O-CB 3.31Å; V270-Q273 PolarHBondContact O-N 3.33Å
271	I	98.8	Very high	97.9	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-57	-42.8	179.2	-73.8	164.6	0	0	0	110.6	W217 T221 Y233 L235 L267 V268 Q273 T274 D275 I280	W217-I271 HydrophobicContact CB-CD1 4.25Å; W217-I271 HydrophobicContact CB-CG1 3.83Å; W217-I271 HydrophobicContact CD2-CD1 3.98Å; W217-I271 HydrophobicContact CD2-CG1 4.45Å; W217-I271 HydrophobicContact CE3-CD1 4.12Å; W217-I271 HydrophobicContact CG-CD1 4.03Å; W217-I271 HydrophobicContact CG-CG1 4.18Å; T221-I271 HydrophobicContact CG2-CB 4.21Å; T221-I271 HydrophobicContact CG2-CG1 4.03Å; T221-I271 HydrophobicContact CG2-CG2 3.76Å; Y233-I271 HydrophobicContact CD2-CG2 4.01Å; Y233-I271 HydrophobicContact CE2-CG2 4.05Å; L235-I271 HydrophobicContact CD2-CD1 3.58Å; L267-I271 WeakPolarHBondContact O-CG1 3.25Å; L267-I271 PolarHBondContact O-N 2.96Å; V268-I271 PolarHBondContact O-N 2.82Å; I271-Q273 PolarHBondContact O-N 2.92Å; I271-Q273 VanDerWaalsContact O-N 3.1Å; I271-T274 PolarHBondContact O-N 3.48Å; I271-T274 VanDerWaalsContact O-N 3.13Å; I271-T274 PolarHBondContact O-OG1 3.12Å; I271-D275 PolarHBondContact O-N 3.32Å; I271-I280 HydrophobicContact CB-CD1 4.42Å; I271-I280 HydrophobicContact CD1-CD1 3.81Å; I271-I280 HydrophobicContact CG2-CD1 3.86Å
272	R	98.2	Very high	98	Very high	24 Å²	24	31.3 Å²	31.3	9%	0.091	15%	0.154	C	C	.	.	H	α-helix	trans	-68.8	-6.3	-179.3	-65.9	-72.2	172.5	-116.2	4	113.3	V268 V270 D275 K276 T278	V268-R272 HydrophobicContact CG1-CG 3.92Å; V268-R272 VanDerWaalsContact O-CB 3.28Å; V268-R272 WeakPolarHBondContact O-CB 3.31Å; V268-R272 WeakPolarHBondContact O-CG 3.45Å; V268-R272 PolarHBondContact O-N 2.82Å; V270-R272 VanDerWaalsContact C-N 3.25Å; V270-R272 PolarHBondContact O-N 2.97Å; R272-D275 WeakPolarHBondContact CA-O 3.32Å; R272-D275 WeakPolarHBondContact CD-O 3.42Å; R272-D275 PolarHBondContact NH1-O 2.77Å; R272-K276 VanDerWaalsContact O-CD 3.23Å; R272-K276 WeakPolarHBondContact O-CD 3.39Å; R272-K276 WeakPolarHBondContact O-CE 3.46Å; R272-K276 PolarHBondContact O-NZ 3.42Å; R272-T278 PolarHBondContact NH1-O 3.2Å; R272-T278 PolarHBondContact NH2-O 3.22Å
273	Q	97.6	Very high	98.1	Very high	114 Å²	114	27.9 Å²	27.9	53%	0.533	14%	0.136	S	C	.	.	H	α-helix	trans	-74	-30.6	171	-68.9	167.2	8.5	0	0	112.2	N269 V270 I271	N269-Q273 WeakPolarHBondContact O-CG 3.38Å; N269-Q273 PolarHBondContact O-N 3.23Å; V270-Q273 WeakPolarHBondContact O-CB 3.31Å; V270-Q273 PolarHBondContact O-N 3.33Å; I271-Q273 PolarHBondContact O-N 2.92Å; I271-Q273 VanDerWaalsContact O-N 3.1Å
274	T	97.4	Very high	98	Very high	67 Å²	67	28.1 Å²	28.1	41%	0.411	14%	0.138	S	C	.	.	H	α-helix	trans	-114.8	-30.1	-173.7	42	0	0	0	0	112.8	T221 I271	T221-T274 VanDerWaalsContact CB-OG1 3.25Å; T221-T274 WeakPolarHBondContact CB-OG1 3.46Å; T221-T274 PolarHBondContact OG1-OG1 3.46Å; I271-T274 PolarHBondContact O-N 3.48Å; I271-T274 VanDerWaalsContact O-N 3.13Å; I271-T274 PolarHBondContact O-OG1 3.12Å
275	D	97.9	Very high	97.8	Very high	7 Å²	7	28.1 Å²	28.1	4%	0.037	14%	0.138	C	C	.	.			trans	-133.6	112.6	177.8	-173.8	-22.7	0	0	0	111.7	T221 G225 Y233 I271 R272 D277 T278	T221-D275 HydrophobicContact CG2-CB 4.22Å; G225-D275 WeakPolarHBondContact CA-OD2 2.99Å; Y233-D275 HydrophobicContact CE2-CB 4.47Å; Y233-D275 PolarHBondContact OH-OD2 3.06Å; I271-D275 PolarHBondContact O-N 3.32Å; R272-D275 WeakPolarHBondContact CA-O 3.32Å; R272-D275 WeakPolarHBondContact CD-O 3.42Å; R272-D275 PolarHBondContact NH1-O 2.77Å; D275-D277 PolarHBondContact OD1-N 3.07Å; D275-T278 VanDerWaalsContact CG-OG1 3.32Å; D275-T278 PolarHBondContact OD1-N 3.34Å; D275-T278 PolarHBondContact OD1-OG1 3.37Å; D275-T278 WeakPolarHBondContact OD2-CB 3.43Å; D275-T278 PolarHBondContact OD2-OG1 3.24Å
276	K	96	Very high	97.5	Very high	123 Å²	123	29.8 Å²	29.8	54%	0.535	15%	0.149	S	C	.	.	S	Bend	trans	-83.1	-17.8	-175.9	-62.9	-63.6	-179.2	-176.3	0	114.3	R272 K317	R272-K276 VanDerWaalsContact O-CD 3.23Å; R272-K276 WeakPolarHBondContact O-CD 3.39Å; R272-K276 WeakPolarHBondContact O-CE 3.46Å; R272-K276 PolarHBondContact O-NZ 3.42Å; K276-K317 WeakPolarHBondContact O-CD 3.25Å; K276-K317 PolarHBondContact O-NZ 3.33Å
277	D	96.2	Very high	97.2	Very high	80 Å²	80	30.4 Å²	30.4	43%	0.428	15%	0.151	S	C	.	.	S	Bend	trans	-129.6	-30.7	-156.4	-60.9	-48.2	0	0	0	114.3	K45 D275 L279 K317	K45-D277 HydrophobicContact CB-CB 4.19Å; K45-D277 HydrophobicContact CG-CB 3.91Å; D275-D277 PolarHBondContact OD1-N 3.07Å; D277-L279 PolarHBondContact O-N 3.43Å; D277-K317 IonicContact OD1-NZ 3.45Å; D277-K317 PolarHBondContact OD1-NZ 2.97Å
278	T	98.4	Very high	97	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.006	15%	0.151	C	C	.	.	S	Bend	trans	-59.7	139.4	178.2	-60.2	0	0	0	0	111.3	K45 V230 Y233 R272 D275	K45-T278 VanDerWaalsContact CE-OG1 3.29Å; K45-T278 WeakPolarHBondContact CE-OG1 3.35Å; K45-T278 PolarHBondContact NZ-OG1 2.9Å; V230-T278 HydrophobicContact CG1-CG2 3.94Å; Y233-T278 HydrophobicContact CD1-CG2 4.5Å; Y233-T278 HydrophobicContact CD2-CG2 3.79Å; Y233-T278 HydrophobicContact CE1-CG2 4.18Å; Y233-T278 HydrophobicContact CE2-CG2 3.41Å; Y233-T278 VanDerWaalsContact CE2-CG2 3.41Å; Y233-T278 HydrophobicContact CG-CG2 4.32Å; R272-T278 PolarHBondContact NH1-O 3.2Å; R272-T278 PolarHBondContact NH2-O 3.22Å; D275-T278 VanDerWaalsContact CG-OG1 3.32Å; D275-T278 PolarHBondContact OD1-N 3.34Å; D275-T278 PolarHBondContact OD1-OG1 3.37Å; D275-T278 WeakPolarHBondContact OD2-CB 3.43Å; D275-T278 PolarHBondContact OD2-OG1 3.24Å
279	L	98.8	Very high	96.8	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65	145.6	-175.6	-56.3	176.5	0	0	0	111.8	V46 I48 F55 L231 G232 Y233 D277 F281 K317 V319	V46-L279 HydrophobicContact CG1-CD1 4.35Å; V46-L279 WeakPolarHBondContact O-CD2 3.24Å; I48-L279 HydrophobicContact CD1-CD1 4.22Å; I48-L279 HydrophobicContact CD1-CD2 4.45Å; I48-L279 HydrophobicContact CG1-CD2 4.06Å; F55-L279 HydrophobicContact CD1-CD1 3.8Å; F55-L279 HydrophobicContact CE1-CD1 3.74Å; L231-L279 HydrophobicContact CD1-CD1 3.82Å; L231-L279 HydrophobicContact CG-CD1 4.28Å; L231-L279 VanDerWaalsContact O-CB 3.25Å; L231-L279 WeakPolarHBondContact O-CB 3.34Å; L231-L279 WeakPolarHBondContact O-CG 3.36Å; L231-L279 PolarHBondContact O-N 3.22Å; G232-L279 CarbonylContact C-O 3.59Å; G232-L279 WeakPolarHBondContact CA-O 3.19Å; Y233-L279 PolarHBondContact N-O 3.4Å; D277-L279 PolarHBondContact O-N 3.43Å; L279-F281 HydrophobicContact CB-CD2 4.26Å; L279-F281 HydrophobicContact CB-CE2 3.92Å; L279-F281 HydrophobicContact CD1-CE2 4.25Å; L279-K317 CarbonylContact C-O 3.56Å; L279-K317 WeakPolarHBondContact CA-O 3.45Å; L279-V319 HydrophobicContact CB-CG2 4.28Å; L279-V319 HydrophobicContact CD1-CG2 4.01Å
280	I	98.9	Very high	96.6	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	116.1	170.3	-57.1	-61.8	0	0	0	108.2	Y233 L235 V268 I271 K317 S318 V319	Y233-I280 HydrophobicContact CD2-CD1 4.24Å; L235-I280 HydrophobicContact CD1-CG2 3.69Å; L235-I280 HydrophobicContact CD2-CG2 4.22Å; L235-I280 HydrophobicContact CG-CG2 3.86Å; V268-I280 HydrophobicContact CG1-CG1 4.41Å; V268-I280 HydrophobicContact CG2-CB 4.31Å; V268-I280 HydrophobicContact CG2-CD1 4.14Å; V268-I280 HydrophobicContact CG2-CG1 3.83Å; V268-I280 HydrophobicContact CG2-CG2 3.72Å; I271-I280 HydrophobicContact CB-CD1 4.42Å; I271-I280 HydrophobicContact CD1-CD1 3.81Å; I271-I280 HydrophobicContact CG2-CD1 3.86Å; I280-K317 PolarHBondContact N-O 3.16Å; I280-S318 CarbonylContact O-C 3.43Å; I280-S318 VanDerWaalsContact O-CA 3.32Å; I280-S318 WeakPolarHBondContact O-CA 3.48Å; I280-V319 PolarHBondContact O-N 3.37Å
281	F	98.9	Very high	96.4	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	124.1	169	-75.8	-114.8	0	0	0	107.7	F55 I138 L231 Y233 N234 L235 L279 V319 F370 T372	F55-F281 HydrophobicContact CE1-CZ 4.21Å; F55-F281 HydrophobicContact CZ-CZ 4.49Å; I138-F281 HydrophobicContact CD1-CD1 4.35Å; I138-F281 HydrophobicContact CD1-CE1 3.66Å; I138-F281 HydrophobicContact CD1-CZ 3.8Å; I138-F281 HydrophobicContact CG1-CE1 4.27Å; I138-F281 HydrophobicContact CG1-CE2 4.34Å; I138-F281 HydrophobicContact CG1-CZ 4.01Å; I138-F281 HydrophobicContact CG2-CD1 4.4Å; I138-F281 HydrophobicContact CG2-CD2 4.39Å; I138-F281 HydrophobicContact CG2-CG 4.28Å; L231-F281 HydrophobicContact CD2-CZ 4.07Å; L231-F281 HydrophobicContact CG-CE2 4.24Å; L231-F281 HydrophobicContact CG-CZ 4.19Å; Y233-F281 WeakPolarHBondContact O-CA 3.22Å; Y233-F281 PolarHBondContact O-N 3.48Å; Y233-F281 VanDerWaalsContact O-O 3.1Å; N234-F281 WeakPolarHBondContact CA-O 3.19Å; N234-F281 HydrophobicContact CB-CB 3.91Å; N234-F281 PolarHBondContact OD1-O 3.34Å; L235-F281 PolarHBondContact N-O 2.81Å; L279-F281 HydrophobicContact CB-CD2 4.26Å; L279-F281 HydrophobicContact CB-CE2 3.92Å; L279-F281 HydrophobicContact CD1-CE2 4.25Å; F281-V319 WeakPolarHBondContact CA-O 3.41Å; F281-V319 HydrophobicContact CD1-CB 4.01Å; F281-V319 HydrophobicContact CD1-CG1 3.82Å; F281-V319 HydrophobicContact CD2-CB 4.2Å; F281-V319 HydrophobicContact CD2-CG2 4.35Å; F281-V319 HydrophobicContact CE1-CB 4.08Å; F281-V319 HydrophobicContact CE1-CG1 3.64Å; F281-V319 HydrophobicContact CE1-CG2 4.46Å; F281-V319 HydrophobicContact CE2-CB 4.24Å; F281-V319 HydrophobicContact CE2-CG2 4.03Å; F281-V319 HydrophobicContact CG-CB 4.07Å; F281-V319 HydrophobicContact CG-CG1 4.4Å; F281-V319 HydrophobicContact CZ-CB 4.19Å; F281-V319 HydrophobicContact CZ-CG1 4.06Å; F281-V319 HydrophobicContact CZ-CG2 4.09Å; F281-F370 HydrophobicContact CD1-CB 4.33Å; F281-F370 HydrophobicContact CE1-CB 3.68Å; F281-F370 HydrophobicContact CE1-CD1 4.49Å; F281-F370 AromaticContact CE1-CD2 3.68Å; F281-F370 HydrophobicContact CE1-CD2 3.68Å; F281-F370 HydrophobicContact CE1-CE2 4.44Å; F281-F370 AromaticContact CE1-CG 3.72Å; F281-F370 HydrophobicContact CE1-CG 3.72Å; F281-F370 HydrophobicContact CZ-CD2 4.03Å; F281-T372 HydrophobicContact CD1-CG2 4.07Å; F281-T372 HydrophobicContact CE1-CG2 4.35Å
282	Y	98.5	Very high	96	Very high	2 Å²	2	35.1 Å²	35.1	1%	0.008	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	143.4	-178.7	70.7	-85.1	0	0	0	110.3	Y264 M302 V305 P306 V319 L320 S321	Y264-Y282 HydrophobicContact CE2-CD2 4.49Å; Y282-M302 HydrophobicContact CD2-SD 3.76Å; Y282-M302 HydrophobicContact CE2-SD 3.76Å; Y282-V305 HydrophobicContact CE1-CB 4.37Å; Y282-V305 HydrophobicContact CE1-CG1 4.19Å; Y282-P306 HydrophobicContact CD1-CG 3.96Å; Y282-P306 HydrophobicContact CD2-CG 4.05Å; Y282-P306 HydrophobicContact CG-CG 3.69Å; Y282-V319 WeakPolarHBondContact CD1-O 3.49Å; Y282-V319 WeakPolarHBondContact CE1-O 3.32Å; Y282-V319 PolarHBondContact N-O 2.89Å; Y282-L320 HydrophobicContact CD2-CD1 4.35Å; Y282-L320 HydrophobicContact CE2-CD1 3.84Å; Y282-S321 WeakPolarHBondContact O-CB 3.45Å; Y282-S321 PolarHBondContact O-N 3.17Å
283	E	97.7	Very high	95.7	Very high	4 Å²	4	37 Å²	37	2%	0.019	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	140.1	-178.6	-64.2	-176.6	-153.1	0	0	110.2	R100 N234 E238 P239 Y264 S321 H323	R100-E283 IonicContact NH2-OE1 3.71Å; R100-E283 PolarHBondContact NH2-OE1 3.41Å; N234-E283 PolarHBondContact ND2-OE1 3.3Å; N234-E283 PolarHBondContact OD1-OE1 2.89Å; E238-E283 WeakPolarHBondContact CA-OE2 3.49Å; E238-E283 PolarHBondContact N-OE2 3.23Å; P239-E283 HydrophobicContact CG-CB 4.14Å; Y264-E283 WeakPolarHBondContact CE2-O 3.5Å; Y264-E283 PolarHBondContact OH-O 2.79Å; E283-S321 VanDerWaalsContact CG-CB 3.44Å; E283-S321 WeakPolarHBondContact CG-OG 3.47Å; E283-S321 PolarHBondContact OE1-OG 3.42Å; E283-S321 VanDerWaalsContact OE1-OG 3.11Å; E283-H323 IonicContact OE1-NE2 3.8Å; E283-H323 IonicContact OE2-CE1 2.54Å; E283-H323 IonicContact OE2-NE2 2.73Å
284	S	96	Very high	95.3	Very high	6 Å²	6	35.4 Å²	35.4	4%	0.042	18%	0.18	C	C	.	.			trans	-72.8	179.3	161.8	67.3	0	0	0	0	110.2	P239 T286	P239-S284 VanDerWaalsContact CG-O 3.31Å; P239-S284 WeakPolarHBondContact CG-O 3.48Å; S284-T286 PolarHBondContact O-N 3.04Å
285	V	94.8	Very high	94.8	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.202	C	C	.	.			trans	-50.2	138	158.7	-66.6	0	0	0	0	109.5	P239 P241 P253 A256 L260 Y287 G288	P239-V285 VanDerWaalsContact O-CA 3.32Å; P239-V285 WeakPolarHBondContact O-CA 3.4Å; P241-V285 HydrophobicContact CB-CG1 4.44Å; P253-V285 HydrophobicContact CB-CG2 3.92Å; P253-V285 HydrophobicContact CG-CG2 4.14Å; A256-V285 HydrophobicContact CB-CG1 3.59Å; L260-V285 HydrophobicContact CD1-CG1 3.82Å; V285-Y287 HydrophobicContact CB-CE1 4.28Å; V285-Y287 HydrophobicContact CG2-CD2 4.3Å; V285-Y287 HydrophobicContact CG2-CE1 4.43Å; V285-Y287 HydrophobicContact CG2-CE2 3.95Å; V285-Y287 PolarHBondContact O-N 3.37Å; V285-G288 WeakPolarHBondContact O-CA 3.44Å; V285-G288 PolarHBondContact O-N 2.79Å
286	T	91.4	Very high	94.3	Very high	47 Å²	47	42.3 Å²	42.3	29%	0.288	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.9	-38.6	-165.8	-46.1	0	0	0	0	113.1	E238 S284	E238-T286 WeakPolarHBondContact CB-OG1 3.33Å; E238-T286 HydrophobicContact CG-CG2 4.11Å; S284-T286 PolarHBondContact O-N 3.04Å
287	Y	92.3	Very high	94	Very high	69 Å²	69	38.2 Å²	38.2	27%	0.271	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-4.3	180	55.5	-95.4	0	0	0	114.8	L251 P253 V285 I289 Y290 F291	L251-Y287 WeakPolarHBondContact O-CE2 3.4Å; L251-Y287 PolarHBondContact O-OH 3.14Å; P253-Y287 HydrophobicContact CG-CD2 3.89Å; P253-Y287 HydrophobicContact CG-CE2 3.65Å; V285-Y287 HydrophobicContact CB-CE1 4.28Å; V285-Y287 HydrophobicContact CG2-CD2 4.3Å; V285-Y287 HydrophobicContact CG2-CE1 4.43Å; V285-Y287 HydrophobicContact CG2-CE2 3.95Å; V285-Y287 PolarHBondContact O-N 3.37Å; Y287-I289 VanDerWaalsContact C-N 3.28Å; Y287-I289 PolarHBondContact O-N 2.05Å; Y287-Y290 WeakPolarHBondContact O-CB 3.44Å; Y287-Y290 PolarHBondContact O-N 2.97Å; Y287-F291 HydrophobicContact CD2-CD2 4.11Å; Y287-F291 AromaticContact CD2-CE2 3.61Å; Y287-F291 HydrophobicContact CD2-CE2 3.61Å; Y287-F291 HydrophobicContact CD2-CZ 4.45Å; Y287-F291 HydrophobicContact CE2-CE2 4.2Å
288	G	93.8	Very high	93.8	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-61.3	-32.4	-174	0	0	0	0	0	113.8	V285 Y290 F291 G299	V285-G288 WeakPolarHBondContact O-CA 3.44Å; V285-G288 PolarHBondContact O-N 2.79Å; G288-Y290 PolarHBondContact O-N 3.47Å; G288-Y290 VanDerWaalsContact O-N 3.16Å; G288-F291 PolarHBondContact O-N 3.46Å; G288-F291 VanDerWaalsContact O-N 3.13Å; G288-G299 CarbonylContact O-C 3.49Å; G288-G299 VanDerWaalsContact O-C 3.22Å
289	I	94.5	Very high	93.3	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.01	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-65.9	-16	176.7	67	167.5	0	0	0	113.5	Y287 T300 Y322 H323 N357 V358	Y287-I289 VanDerWaalsContact C-N 3.28Å; Y287-I289 PolarHBondContact O-N 2.05Å; I289-T300 HydrophobicContact CG2-CG2 4.49Å; I289-Y322 HydrophobicContact CD1-CD2 3.63Å; I289-Y322 HydrophobicContact CD1-CE2 4.48Å; I289-Y322 HydrophobicContact CD1-CG 4.34Å; I289-H323 WeakPolarHBondContact CD1-O 3.21Å; I289-N357 PolarHBondContact O-ND2 3.04Å; I289-V358 HydrophobicContact CB-CG2 4.02Å; I289-V358 HydrophobicContact CD1-CG2 4.41Å; I289-V358 HydrophobicContact CG2-CG2 3.96Å
290	Y	94	Very high	93.1	Very high	42 Å²	42	34.8 Å²	34.8	17%	0.165	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-91.5	-8.4	178.4	-59.1	-75.8	0	0	0	112.6	Y287 G288 Y324 W327 L350 Y353 A354	Y287-Y290 WeakPolarHBondContact O-CB 3.44Å; Y287-Y290 PolarHBondContact O-N 2.97Å; G288-Y290 PolarHBondContact O-N 3.47Å; G288-Y290 VanDerWaalsContact O-N 3.16Å; Y290-Y324 HydrophobicContact CE1-CD2 4.42Å; Y290-Y324 WeakPolarHBondContact OH-CD2 3.03Å; Y290-W327 HydrophobicContact CE1-CZ3 4.45Å; Y290-L350 HydrophobicContact CD1-CD1 3.53Å; Y290-L350 HydrophobicContact CD1-CG 4.48Å; Y290-L350 HydrophobicContact CE1-CD1 3.47Å; Y290-L350 VanDerWaalsContact CE1-CD1 3.47Å; Y290-L350 HydrophobicContact CE1-CG 3.95Å; Y290-Y353 WeakPolarHBondContact O-CE1 3.43Å; Y290-Y353 PolarHBondContact O-OH 3.41Å; Y290-A354 HydrophobicContact CD1-CB 4.35Å; Y290-A354 HydrophobicContact CE1-CB 3.84Å
291	F	93.5	Very high	92.8	Very high	79 Å²	79	35 Å²	35	35%	0.346	20%	0.197	S	C	.	.	S	Bend	trans	-87.2	142	178	-83.3	-108.9	0	0	0	111.7	P253 Y287 G288 G299 N357	P253-F291 HydrophobicContact CG-CB 4.16Å; P253-F291 HydrophobicContact CG-CD1 4.09Å; P253-F291 HydrophobicContact CG-CD2 3.65Å; P253-F291 HydrophobicContact CG-CE1 4.41Å; P253-F291 HydrophobicContact CG-CE2 4.02Å; P253-F291 HydrophobicContact CG-CG 3.69Å; P253-F291 HydrophobicContact CG-CZ 4.37Å; Y287-F291 HydrophobicContact CD2-CD2 4.11Å; Y287-F291 AromaticContact CD2-CE2 3.61Å; Y287-F291 HydrophobicContact CD2-CE2 3.61Å; Y287-F291 HydrophobicContact CD2-CZ 4.45Å; Y287-F291 HydrophobicContact CE2-CE2 4.2Å; G288-F291 PolarHBondContact O-N 3.46Å; G288-F291 VanDerWaalsContact O-N 3.13Å; F291-G299 WeakPolarHBondContact O-CA 3.43Å; F291-N357 PolarHBondContact O-ND2 2.75Å
292	P	92	Very high	92.6	Very high	70 Å²	70	35 Å²	35	46%	0.455	20%	0.197	S	C	.	.	P	Polyproline II helix	trans	-74.2	167.9	178.2	32.8	-36.4	0	0	0	111.2	G299 Y353	P292-G299 WeakPolarHBondContact O-CA 3.36Å; P292-Y353 WeakPolarHBondContact CA-OH 3.3Å
293	F	91.2	Very high	92.4	Very high	64 Å²	64	40.5 Å²	40.5	28%	0.281	22%	0.223	S	C	.	.	P	Polyproline II helix	trans	-66.3	136.5	167.2	-77.3	-114.3	0	0	0	110.6	I297 P298 S360 I361	F293-I297 CarbonylContact C-O 3.59Å; F293-I297 WeakPolarHBondContact CA-O 3.33Å; F293-P298 HydrophobicContact CD1-CB 4.47Å; F293-P298 HydrophobicContact CD1-CG 4.33Å; F293-P298 HydrophobicContact CE1-CB 3.95Å; F293-P298 HydrophobicContact CE1-CG 3.64Å; F293-P298 HydrophobicContact CZ-CB 3.98Å; F293-P298 HydrophobicContact CZ-CG 4.02Å; F293-S360 WeakPolarHBondContact CE2-OG 3.32Å; F293-S360 WeakPolarHBondContact CZ-O 3.46Å; F293-I361 HydrophobicContact CE2-CG1 4Å; F293-I361 HydrophobicContact CZ-CG1 4.19Å
294	V	88.3	Confident	92.3	Very high	80 Å²	80	42.1 Å²	42.1	49%	0.485	23%	0.229	S	C	.	.	B	Isolated β-bridge	trans	-125.6	120.7	174.5	-178.2	0	0	0	0	108.4	G296 I297	V294-G296 PolarHBondContact O-N 3.13Å; V294-I297 PolarHBondContact N-O 3Å; V294-I297 WeakPolarHBondContact O-CB 3.48Å; V294-I297 PolarHBondContact O-N 3.04Å
295	N	87.7	Confident	92.4	Very high	161 Å²	161	41.9 Å²	41.9	86%	0.861	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.9	39.8	-177.2	-59	-29	0	0	0	113.4	I297	N295-I297 PolarHBondContact O-N 3.37Å
296	G	87.3	Confident	92.5	Very high	58 Å²	58	41.9 Å²	41.9	60%	0.598	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.2	-3.1	-178.4	0	0	0	0	0	115	V294	V294-G296 PolarHBondContact O-N 3.13Å
297	I	89.3	Confident	92.8	Very high	37 Å²	37	39.8 Å²	39.8	19%	0.19	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-86.9	127.8	177.7	-51.7	-176.2	0	0	0	109.3	N254 F293 V294 N295 Q303	N254-I297 VanDerWaalsContact OD1-CG2 3.29Å; N254-I297 WeakPolarHBondContact OD1-CG2 3.48Å; F293-I297 CarbonylContact C-O 3.59Å; F293-I297 WeakPolarHBondContact CA-O 3.33Å; V294-I297 PolarHBondContact N-O 3Å; V294-I297 WeakPolarHBondContact O-CB 3.48Å; V294-I297 PolarHBondContact O-N 3.04Å; N295-I297 PolarHBondContact O-N 3.37Å; I297-Q303 HydrophobicContact CG2-CG 3.84Å
298	P	91.8	Very high	93.1	Very high	2 Å²	2	38.3 Å²	38.3	1%	0.013	21%	0.212	C	C	.	.			trans	-55.2	146.9	174.9	-26.1	35.6	0	0	0	112.4	F293 T300 G301 M302 I361 T365	F293-P298 HydrophobicContact CD1-CB 4.47Å; F293-P298 HydrophobicContact CD1-CG 4.33Å; F293-P298 HydrophobicContact CE1-CB 3.95Å; F293-P298 HydrophobicContact CE1-CG 3.64Å; F293-P298 HydrophobicContact CZ-CB 3.98Å; F293-P298 HydrophobicContact CZ-CG 4.02Å; P298-T300 PolarHBondContact O-N 3.45Å; P298-G301 PolarHBondContact O-N 2.96Å; P298-M302 WeakPolarHBondContact CG-O 3.45Å; P298-I361 HydrophobicContact CB-CG1 4.1Å; P298-I361 HydrophobicContact CB-CG2 4.16Å; P298-T365 HydrophobicContact CG-CG2 4.25Å
299	G	89.6	Confident	93.2	Very high	6 Å²	6	44 Å²	44	6%	0.062	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-7.8	176.7	0	0	0	0	0	114.6	P253 G288 F291 P292 G301	P253-G299 WeakPolarHBondContact CB-O 3.19Å; P253-G299 WeakPolarHBondContact CG-O 3.48Å; G288-G299 CarbonylContact O-C 3.49Å; G288-G299 VanDerWaalsContact O-C 3.22Å; F291-G299 WeakPolarHBondContact O-CA 3.43Å; P292-G299 WeakPolarHBondContact O-CA 3.36Å; G299-G301 VanDerWaalsContact C-N 3.35Å
300	T	94.1	Very high	93.3	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.006	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-14.4	170.8	56.5	0	0	0	0	113.4	G257 I289 P298 M302 I361	G257-T300 WeakPolarHBondContact CA-O 3.17Å; I289-T300 HydrophobicContact CG2-CG2 4.49Å; P298-T300 PolarHBondContact O-N 3.45Å; T300-M302 PolarHBondContact O-N 3.26Å; T300-M302 PolarHBondContact OG1-N 2.91Å; T300-I361 HydrophobicContact CG2-CD1 3.71Å; T300-I361 HydrophobicContact CG2-CG1 4.36Å; T300-I361 HydrophobicContact CG2-CG2 4.12Å
301	G	93	Very high	93.4	Very high	4 Å²	4	50.3 Å²	50.3	4%	0.041	27%	0.274	C	S	.	.	S	Bend	trans	73	-3.5	-168.6	0	0	0	0	0	115.5	N254 P298 G299	N254-G301 VanDerWaalsContact CA-CA 3.48Å; P298-G301 PolarHBondContact O-N 2.96Å; G299-G301 VanDerWaalsContact C-N 3.35Å
302	M	94	Very high	93.5	Very high	1 Å²	1	54.9 Å²	54.9	1%	0.005	30%	0.297	C	S	.	.			trans	-95.5	115.6	178.8	-62.8	176.6	179	0	0	109.1	L260 L261 Y264 Y282 P298 T300 T365	L260-M302 HydrophobicContact CB-CE 3.57Å; L260-M302 HydrophobicContact CD1-CE 4.17Å; L261-M302 HydrophobicContact CB-CG 4.43Å; Y264-M302 HydrophobicContact CD2-CE 4.09Å; Y264-M302 HydrophobicContact CE2-CE 3.69Å; Y282-M302 HydrophobicContact CD2-SD 3.76Å; Y282-M302 HydrophobicContact CE2-SD 3.76Å; P298-M302 WeakPolarHBondContact CG-O 3.45Å; T300-M302 PolarHBondContact O-N 3.26Å; T300-M302 PolarHBondContact OG1-N 2.91Å; M302-T365 WeakPolarHBondContact O-CG2 3.33Å
303	Q	93.4	Very high	93.7	Very high	118 Å²	118	55.8 Å²	55.8	55%	0.551	30%	0.296	S	S	*	.	S	Bend	trans	-91.2	-4.5	-179.3	-64.9	176	-62.8	0	0	113.4	I297	I297-Q303 HydrophobicContact CG2-CG 3.84Å
304	R	95.7	Very high	94	Very high	38 Å²	38	53 Å²	53	14%	0.143	29%	0.285	C	S	.	.	S	Bend	trans	-155.6	163	-177.8	55.4	174.9	176	79.2	0.6	109.6	L261 D265 L308 L309	L261-R304 HydrophobicContact CD2-CG 3.83Å; D265-R304 IonicContact OD1-CZ 3.24Å; D265-R304 IonicContact OD1-NH1 3.78Å; D265-R304 PolarHBondContact OD1-NH1 2.91Å; D265-R304 IonicContact OD1-NH2 3.77Å; D265-R304 IonicContact OD2-CZ 2.72Å; D265-R304 VanDerWaalsContact OD2-CZ 3.22Å; D265-R304 IonicContact OD2-NH1 3.22Å; D265-R304 PolarHBondContact OD2-NH1 3.48Å; D265-R304 IonicContact OD2-NH2 2.88Å; D265-R304 PolarHBondContact OD2-NH2 2.04Å; R304-L308 HydrophobicContact CB-CB 4.4Å; R304-L308 HydrophobicContact CB-CD2 3.69Å; R304-L309 VanDerWaalsContact NH2-CD1 3.29Å
305	V	97.7	Very high	94.4	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	28%	0.277	C	S	.	.			trans	-68.4	152.3	166.8	-58.4	0	0	0	0	111.1	Y282 L308 A314 R315 G366	Y282-V305 HydrophobicContact CE1-CB 4.37Å; Y282-V305 HydrophobicContact CE1-CG1 4.19Å; V305-L308 HydrophobicContact CG2-CB 3.94Å; V305-L308 HydrophobicContact CG2-CD1 4.47Å; V305-L308 WeakPolarHBondContact O-CB 3.32Å; V305-L308 PolarHBondContact O-N 3.12Å; V305-A314 HydrophobicContact CG2-CB 3.86Å; V305-R315 HydrophobicContact CG1-CG 4.49Å; V305-R315 HydrophobicContact CG2-CG 3.87Å; V305-G366 VanDerWaalsContact CG1-O 3.25Å; V305-G366 WeakPolarHBondContact CG1-O 3.47Å
306	P	98.2	Very high	94.9	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	141.9	170.3	-25.3	36	0	0	0	112.7	L261 Y264 D265 V268 Y282 L308	L261-P306 HydrophobicContact CD1-CB 4.32Å; L261-P306 HydrophobicContact CD1-CG 3.96Å; Y264-P306 HydrophobicContact CD2-CG 3.98Å; Y264-P306 HydrophobicContact CG-CG 4.28Å; D265-P306 WeakPolarHBondContact OD1-CA 3.25Å; V268-P306 HydrophobicContact CG2-CB 3.77Å; Y282-P306 HydrophobicContact CD1-CG 3.96Å; Y282-P306 HydrophobicContact CD2-CG 4.05Å; Y282-P306 HydrophobicContact CG-CG 3.69Å; P306-L308 VanDerWaalsContact C-N 3.28Å; P306-L308 PolarHBondContact O-N 3.34Å
307	G	97.9	Very high	95.4	Very high	4 Å²	4	48 Å²	48	4%	0.041	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.6	-7.5	179.3	0	0	0	0	0	115.5	D265 L309 Q310 D311	D265-G307 PolarHBondContact OD1-N 3.39Å; G307-L309 PolarHBondContact O-N 3.09Å; G307-L309 VanDerWaalsContact O-N 3.14Å; G307-Q310 PolarHBondContact O-N 2.97Å; G307-Q310 PolarHBondContact O-OE1 2.85Å; G307-D311 PolarHBondContact O-N 3.08Å
308	L	97.6	Very high	95.9	Very high	37 Å²	37	46.3 Å²	46.3	19%	0.194	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-27.1	-177.4	-172.5	62.9	0	0	0	113.7	R304 V305 P306 Q310 A314 R315	R304-L308 HydrophobicContact CB-CB 4.4Å; R304-L308 HydrophobicContact CB-CD2 3.69Å; V305-L308 HydrophobicContact CG2-CB 3.94Å; V305-L308 HydrophobicContact CG2-CD1 4.47Å; V305-L308 WeakPolarHBondContact O-CB 3.32Å; V305-L308 PolarHBondContact O-N 3.12Å; P306-L308 VanDerWaalsContact C-N 3.28Å; P306-L308 PolarHBondContact O-N 3.34Å; L308-Q310 PolarHBondContact O-N 2.93Å; L308-A314 HydrophobicContact CB-CB 4.31Å; L308-A314 HydrophobicContact CD1-CB 4.29Å; L308-R315 HydrophobicContact CD1-CG 4.07Å
309	L	96.4	Very high	96.2	Very high	119 Å²	119	46.2 Å²	46.2	62%	0.623	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-18.3	177.8	-63.3	-178.1	0	0	0	113	R304 G307	R304-L309 VanDerWaalsContact NH2-CD1 3.29Å; G307-L309 PolarHBondContact O-N 3.09Å; G307-L309 VanDerWaalsContact O-N 3.14Å
310	Q	96.6	Very high	96.6	Very high	120 Å²	120	45.9 Å²	45.9	56%	0.561	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-111.2	-28.1	-178.2	-65.9	78	25.7	0	0	112.7	G307 L308	G307-Q310 PolarHBondContact O-N 2.97Å; G307-Q310 PolarHBondContact O-OE1 2.85Å; L308-Q310 PolarHBondContact O-N 2.93Å
311	D	96.6	Very high	96.8	Very high	57 Å²	57	45.9 Å²	45.9	31%	0.305	22%	0.218	S	C	.	.			trans	-139.7	113	-177.9	-177.7	7.5	0	0	0	110.4	G307 M313 A314	G307-D311 PolarHBondContact O-N 3.08Å; D311-M313 PolarHBondContact O-N 3.49Å; D311-M313 VanDerWaalsContact O-N 3.17Å; D311-M313 VanDerWaalsContact OD1-CB 3.29Å; D311-M313 WeakPolarHBondContact OD1-CB 3.2Å; D311-M313 PolarHBondContact OD1-N 2.72Å; D311-A314 WeakPolarHBondContact O-CB 3.32Å; D311-A314 PolarHBondContact O-N 3.4Å
312	E	94.4	Very high	97.1	Very high	176 Å²	176	46 Å²	46	82%	0.822	22%	0.217	S	C	*	.	G	3₁₀ helix	trans	-60.6	-24.3	176	-66.1	-175	167.8	0	0	112.2	A314	E312-A314 PolarHBondContact O-N 3.2Å
313	M	96	Very high	97.2	Very high	88 Å²	88	46.2 Å²	46.2	43%	0.433	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-80	0.2	176.9	-61	-68.7	-75.1	0	0	113.1	D311 R315 K316	D311-M313 PolarHBondContact O-N 3.49Å; D311-M313 VanDerWaalsContact O-N 3.17Å; D311-M313 VanDerWaalsContact OD1-CB 3.29Å; D311-M313 WeakPolarHBondContact OD1-CB 3.2Å; D311-M313 PolarHBondContact OD1-N 2.72Å; M313-R315 PolarHBondContact O-N 3.14Å; M313-K316 HydrophobicContact CE-CD 3.58Å; M313-K316 PolarHBondContact O-N 2.7Å; M313-K316 HydrophobicContact SD-CD 4.09Å
314	A	97.9	Very high	97.4	Very high	5 Å²	5	40.7 Å²	40.7	4%	0.041	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-56.5	-35.3	179.1	0	0	0	0	0	112.4	V305 L308 D311 E312 K316 K317 S318	V305-A314 HydrophobicContact CG2-CB 3.86Å; L308-A314 HydrophobicContact CB-CB 4.31Å; L308-A314 HydrophobicContact CD1-CB 4.29Å; D311-A314 WeakPolarHBondContact O-CB 3.32Å; D311-A314 PolarHBondContact O-N 3.4Å; E312-A314 PolarHBondContact O-N 3.2Å; A314-K316 PolarHBondContact O-N 3.37Å; A314-K317 CarbonylContact O-C 3.5Å; A314-K317 VanDerWaalsContact O-C 3.32Å; A314-K317 WeakPolarHBondContact O-CA 3.39Å; A314-K317 PolarHBondContact O-N 3.39Å; A314-S318 WeakPolarHBondContact O-CB 3.39Å; A314-S318 PolarHBondContact O-N 2.83Å; A314-S318 VanDerWaalsContact O-N 3.09Å; A314-S318 PolarHBondContact O-OG 3.17Å; A314-S318 VanDerWaalsContact O-OG 3.05Å
315	R	97.6	Very high	97.4	Very high	86 Å²	86	40.8 Å²	40.8	33%	0.325	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	-60.5	-32.4	176.5	-69.6	179	169.2	173.4	-0.3	113.1	D50 V305 L308 M313 K317 T365 G367	D50-R315 WeakPolarHBondContact OD1-CB 3.31Å; D50-R315 VanDerWaalsContact OD1-CD 3.32Å; D50-R315 WeakPolarHBondContact OD1-CD 3.38Å; V305-R315 HydrophobicContact CG1-CG 4.49Å; V305-R315 HydrophobicContact CG2-CG 3.87Å; L308-R315 HydrophobicContact CD1-CG 4.07Å; M313-R315 PolarHBondContact O-N 3.14Å; R315-K317 PolarHBondContact O-N 3.4Å; R315-T365 PolarHBondContact NE-O 3.35Å; R315-T365 VanDerWaalsContact NE-O 3.07Å; R315-G367 VanDerWaalsContact O-CA 3.28Å; R315-G367 WeakPolarHBondContact O-CA 3.46Å
316	K	98.1	Very high	97.2	Very high	78 Å²	78	41 Å²	41	34%	0.339	19%	0.194	S	C	.	.	G	3₁₀ helix	trans	-77.9	-0.4	175.9	-62.9	-177.3	176.8	177.8	0	113.2	I48 D50 M313 A314	I48-K316 PolarHBondContact N-O 2.92Å; I48-K316 WeakPolarHBondContact O-CA 3.28Å; I48-K316 WeakPolarHBondContact O-CB 3.21Å; I48-K316 WeakPolarHBondContact O-CG 3.29Å; D50-K316 HydrophobicContact CB-CG 3.99Å; M313-K316 HydrophobicContact CE-CD 3.58Å; M313-K316 PolarHBondContact O-N 2.7Å; M313-K316 HydrophobicContact SD-CD 4.09Å; A314-K316 PolarHBondContact O-N 3.37Å
317	K	97.8	Very high	96.8	Very high	30 Å²	30	47.4 Å²	47.4	13%	0.13	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-137.4	16.5	-170.6	-56.4	179	-179.4	-178.1	0	113.1	K276 D277 L279 I280 A314 R315	K276-K317 WeakPolarHBondContact O-CD 3.25Å; K276-K317 PolarHBondContact O-NZ 3.33Å; D277-K317 IonicContact OD1-NZ 3.45Å; D277-K317 PolarHBondContact OD1-NZ 2.97Å; L279-K317 CarbonylContact C-O 3.56Å; L279-K317 WeakPolarHBondContact CA-O 3.45Å; I280-K317 PolarHBondContact N-O 3.16Å; A314-K317 CarbonylContact O-C 3.5Å; A314-K317 VanDerWaalsContact O-C 3.32Å; A314-K317 WeakPolarHBondContact O-CA 3.39Å; A314-K317 PolarHBondContact O-N 3.39Å; R315-K317 PolarHBondContact O-N 3.4Å
318	S	98.6	Very high	96.6	Very high	2 Å²	2	49.4 Å²	49.4	1%	0.014	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	140.9	-176.5	-68.6	0	0	0	0	111.1	I280 A314 G367 G368	I280-S318 CarbonylContact O-C 3.43Å; I280-S318 VanDerWaalsContact O-CA 3.32Å; I280-S318 WeakPolarHBondContact O-CA 3.48Å; A314-S318 WeakPolarHBondContact O-CB 3.39Å; A314-S318 PolarHBondContact O-N 2.83Å; A314-S318 VanDerWaalsContact O-N 3.09Å; A314-S318 PolarHBondContact O-OG 3.17Å; A314-S318 VanDerWaalsContact O-OG 3.05Å; S318-G367 CarbonylContact O-C 3.47Å; S318-G367 VanDerWaalsContact O-CA 3.24Å; S318-G367 WeakPolarHBondContact O-CA 3.45Å; S318-G368 PolarHBondContact O-N 3.36Å
319	V	98.8	Very high	96.3	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	124.1	-175.2	-177.5	0	0	0	0	108.3	I48 F55 L279 I280 F281 Y282 S321 G368 F370	I48-V319 HydrophobicContact CD1-CG2 3.91Å; I48-V319 HydrophobicContact CG1-CG2 4.2Å; F55-V319 HydrophobicContact CE1-CG1 4.36Å; F55-V319 HydrophobicContact CE1-CG2 3.72Å; F55-V319 HydrophobicContact CZ-CG1 3.86Å; F55-V319 HydrophobicContact CZ-CG2 4.04Å; L279-V319 HydrophobicContact CB-CG2 4.28Å; L279-V319 HydrophobicContact CD1-CG2 4.01Å; I280-V319 PolarHBondContact O-N 3.37Å; F281-V319 WeakPolarHBondContact CA-O 3.41Å; F281-V319 HydrophobicContact CD1-CB 4.01Å; F281-V319 HydrophobicContact CD1-CG1 3.82Å; F281-V319 HydrophobicContact CD2-CB 4.2Å; F281-V319 HydrophobicContact CD2-CG2 4.35Å; F281-V319 HydrophobicContact CE1-CB 4.08Å; F281-V319 HydrophobicContact CE1-CG1 3.64Å; F281-V319 HydrophobicContact CE1-CG2 4.46Å; F281-V319 HydrophobicContact CE2-CB 4.24Å; F281-V319 HydrophobicContact CE2-CG2 4.03Å; F281-V319 HydrophobicContact CG-CB 4.07Å; F281-V319 HydrophobicContact CG-CG1 4.4Å; F281-V319 HydrophobicContact CZ-CB 4.19Å; F281-V319 HydrophobicContact CZ-CG1 4.06Å; F281-V319 HydrophobicContact CZ-CG2 4.09Å; Y282-V319 WeakPolarHBondContact CD1-O 3.49Å; Y282-V319 WeakPolarHBondContact CE1-O 3.32Å; Y282-V319 PolarHBondContact N-O 2.89Å; V319-S321 PolarHBondContact O-N 2.68Å; V319-S321 VanDerWaalsContact O-N 3.11Å; V319-G368 WeakPolarHBondContact CA-O 3.38Å; V319-F370 HydrophobicContact CG1-CB 3.69Å
320	L	98.4	Very high	95.9	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	105.8	167	178.8	62.2	0	0	0	108.5	Y282 V358 I361 V362 G368 R369 F370	Y282-L320 HydrophobicContact CD2-CD1 4.35Å; Y282-L320 HydrophobicContact CE2-CD1 3.84Å; L320-V358 HydrophobicContact CD2-CG1 4.21Å; L320-I361 HydrophobicContact CD2-CB 4.24Å; L320-I361 HydrophobicContact CD2-CG2 3.71Å; L320-V362 HydrophobicContact CB-CG2 3.93Å; L320-V362 HydrophobicContact CD2-CG2 3.96Å; L320-G368 PolarHBondContact N-O 3.47Å; L320-R369 WeakPolarHBondContact O-CA 3.41Å; L320-F370 PolarHBondContact O-N 2.96Å
321	S	98.6	Very high	95.3	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.007	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	131	169	179.1	0	0	0	0	107.8	N234 Y282 E283 V319 T372	N234-S321 PolarHBondContact OD1-OG 3.19Å; Y282-S321 WeakPolarHBondContact O-CB 3.45Å; Y282-S321 PolarHBondContact O-N 3.17Å; E283-S321 VanDerWaalsContact CG-CB 3.44Å; E283-S321 WeakPolarHBondContact CG-OG 3.47Å; E283-S321 PolarHBondContact OE1-OG 3.42Å; E283-S321 VanDerWaalsContact OE1-OG 3.11Å; V319-S321 PolarHBondContact O-N 2.68Å; V319-S321 VanDerWaalsContact O-N 3.11Å; S321-T372 WeakPolarHBondContact OG-CB 3.47Å; S321-T372 WeakPolarHBondContact OG-CG2 3.3Å; S321-T372 PolarHBondContact OG-OG1 2.94Å
322	Y	98.2	Very high	94.8	Very high	5 Å²	5	45.2 Å²	45.2	2%	0.02	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	153.2	179.9	76.4	-83.1	0	0	0	112.2	I289 F355 V358 R369 F370 L371 T372 E403	I289-Y322 HydrophobicContact CD1-CD2 3.63Å; I289-Y322 HydrophobicContact CD1-CE2 4.48Å; I289-Y322 HydrophobicContact CD1-CG 4.34Å; Y322-F355 WeakPolarHBondContact OH-CE1 3.49Å; Y322-V358 HydrophobicContact CD1-CG1 3.82Å; Y322-V358 HydrophobicContact CD1-CG2 4.08Å; Y322-V358 HydrophobicContact CD2-CG2 3.84Å; Y322-V358 HydrophobicContact CE1-CB 4.39Å; Y322-V358 HydrophobicContact CE1-CG1 3.6Å; Y322-V358 HydrophobicContact CE1-CG2 4.2Å; Y322-V358 HydrophobicContact CE2-CG2 3.93Å; Y322-V358 HydrophobicContact CG-CG1 4.47Å; Y322-V358 HydrophobicContact CG-CG2 3.89Å; Y322-R369 HydrophobicContact CE1-CB 4.39Å; Y322-F370 WeakPolarHBondContact CD1-O 3.33Å; Y322-F370 VanDerWaalsContact CE1-C 3.49Å; Y322-F370 PolarHBondContact N-O 3.21Å; Y322-F370 VanDerWaalsContact N-O 3.16Å; Y322-L371 HydrophobicContact CD2-CD1 3.95Å; Y322-L371 HydrophobicContact CE1-CB 4.14Å; Y322-L371 HydrophobicContact CE2-CB 4.21Å; Y322-L371 HydrophobicContact CE2-CD1 3.56Å; Y322-L371 HydrophobicContact CE2-CG 4.44Å; Y322-L371 CarbonylContact O-C 3.45Å; Y322-L371 WeakPolarHBondContact O-CA 3.27Å; Y322-T372 PolarHBondContact N-OG1 3.28Å; Y322-T372 PolarHBondContact O-N 3.26Å; Y322-T372 PolarHBondContact O-OG1 2.98Å; Y322-E403 VanDerWaalsContact OH-CD 3.26Å; Y322-E403 WeakPolarHBondContact OH-CG 3.43Å; Y322-E403 PolarHBondContact OH-OE2 3.21Å
323	H	97.3	Very high	94.6	Very high	7 Å²	7	40.2 Å²	40.2	3%	0.032	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	154.3	-177.7	-57.7	177.3	0	0	0	111.6	N237 E238 E283 I289 Y325 T372 E373	N237-H323 PolarHBondContact OD1-CE1 3.03Å; E238-H323 VanDerWaalsContact CG-CE1 3.44Å; E238-H323 WeakPolarHBondContact CG-CE1 3.43Å; E238-H323 VanDerWaalsContact CG-ND1 3.25Å; E238-H323 WeakPolarHBondContact CG-ND1 3.29Å; E238-H323 IonicContact OE1-CE1 3.14Å; E238-H323 IonicContact OE1-CG 3.68Å; E238-H323 IonicContact OE1-ND1 2.7Å; E238-H323 PolarHBondContact OE1-ND1 3.49Å; E283-H323 IonicContact OE1-NE2 3.8Å; E283-H323 IonicContact OE2-CE1 2.54Å; E283-H323 IonicContact OE2-NE2 2.73Å; I289-H323 WeakPolarHBondContact CD1-O 3.21Å; H323-Y325 HydrophobicContact CB-CD2 4.47Å; H323-Y325 HydrophobicContact CB-CE2 4.15Å; H323-T372 PolarHBondContact CD2-OG1 2.91Å; H323-T372 PolarHBondContact NE2-OG1 2.83Å; H323-T372 VanDerWaalsContact NE2-OG1 3.07Å; H323-E373 CarbonylContact C-O 3.57Å; H323-E373 WeakPolarHBondContact CA-O 3.25Å; H323-E373 HydrophobicContact CB-CB 4.12Å; H323-E373 VanDerWaalsContact CD2-CB 3.46Å; H323-E373 WeakPolarHBondContact CD2-CB 3.35Å; H323-E373 PolarHBondContact CD2-N 3.47Å; H323-E373 VanDerWaalsContact CD2-N 3.34Å; H323-E373 VanDerWaalsContact CE1-CG 3.46Å; H323-E373 WeakPolarHBondContact CE1-CG 3.09Å; H323-E373 IonicContact CE1-OE1 3.29Å; H323-E373 PolarHBondContact CE1-OE1 3.27Å; H323-E373 VanDerWaalsContact CE1-OE1 3.28Å; H323-E373 IonicContact CE1-OE2 2.74Å; H323-E373 PolarHBondContact CE1-OE2 3.16Å; H323-E373 IonicContact ND1-OE2 2.91Å; H323-E373 PolarHBondContact ND1-OE2 2.85Å; H323-E373 VanDerWaalsContact NE2-CG 3.33Å; H323-E373 WeakPolarHBondContact NE2-CG 3.38Å; H323-E373 IonicContact NE2-OE1 2.71Å
324	Y	97.2	Very high	94.4	Very high	1 Å²	1	37.4 Å²	37.4	0%	0.004	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	123.2	173.6	174.8	-87.7	0	0	0	111.1	Y290 L350 L351 A354 E373 F374 E390 V394	Y290-Y324 HydrophobicContact CE1-CD2 4.42Å; Y290-Y324 WeakPolarHBondContact OH-CD2 3.03Å; Y324-L350 HydrophobicContact CE2-CD2 4.24Å; Y324-L350 HydrophobicContact CE2-CG 4.01Å; Y324-L351 HydrophobicContact CD1-CD1 3.97Å; Y324-L351 HydrophobicContact CD2-CD1 4.05Å; Y324-L351 HydrophobicContact CE1-CD1 3.67Å; Y324-L351 HydrophobicContact CE2-CB 3.99Å; Y324-L351 HydrophobicContact CE2-CD1 3.73Å; Y324-L351 HydrophobicContact CE2-CG 4.5Å; Y324-L351 HydrophobicContact CG-CD1 4.17Å; Y324-A354 HydrophobicContact CD2-CB 4.04Å; Y324-A354 HydrophobicContact CE2-CB 4.47Å; Y324-E373 PolarHBondContact N-O 3.44Å; Y324-F374 VanDerWaalsContact O-CA 3.29Å; Y324-F374 WeakPolarHBondContact O-CA 3.49Å; Y324-F374 WeakPolarHBondContact O-CB 3.23Å; Y324-E390 VanDerWaalsContact CE1-OE1 3.29Å; Y324-E390 WeakPolarHBondContact CE1-OE1 3.13Å; Y324-V394 HydrophobicContact CD1-CG1 4.43Å; Y324-V394 HydrophobicContact CD1-CG2 3.74Å; Y324-V394 HydrophobicContact CE1-CG2 3.54Å
325	Y	94.6	Very high	94.1	Very high	40 Å²	40	41.6 Å²	41.6	16%	0.157	21%	0.214	C	C	.	.			trans	-137.2	133	168.9	-62.9	-84.2	0	0	0	108.8	H323 W327 E373 G375 L376 W408	H323-Y325 HydrophobicContact CB-CD2 4.47Å; H323-Y325 HydrophobicContact CB-CE2 4.15Å; Y325-W327 PolarHBondContact O-N 3.24Å; Y325-E373 HydrophobicContact CE2-CB 4.42Å; Y325-E373 PolarHBondContact OH-OE2 3.22Å; Y325-E373 VanDerWaalsContact OH-OE2 3.08Å; Y325-G375 VanDerWaalsContact CE1-N 3.28Å; Y325-L376 HydrophobicContact CD1-CB 4.5Å; Y325-L376 HydrophobicContact CD1-CD1 3.79Å; Y325-L376 HydrophobicContact CD1-CG 3.79Å; Y325-L376 HydrophobicContact CE1-CD1 4.5Å; Y325-L376 HydrophobicContact CE1-CG 4.1Å; Y325-L376 HydrophobicContact CG-CD1 4.45Å; Y325-W408 VanDerWaalsContact OH-CB 3.31Å; Y325-W408 WeakPolarHBondContact OH-CB 3.49Å
326	C	94.9	Very high	94	Very high	4 Å²	4	42.3 Å²	42.3	3%	0.027	22%	0.221	C	C	.	.			trans	-82.4	97.3	169.2	-166.9	0	0	0	0	110.2	L328 L329 C346 L350	C326-L328 PolarHBondContact O-N 3.44Å; C326-L329 HydrophobicContact CB-CD1 3.81Å; C326-L329 HydrophobicContact CB-CG 3.96Å; C326-L329 WeakPolarHBondContact O-CB 3.28Å; C326-L329 PolarHBondContact O-N 2.85Å; C326-C346 HydrophobicContact CB-CB 3.79Å; C326-C346 WeakPolarHBondContact CB-SG 3.25Å; C326-C346 WeakPolarHBondContact SG-CB 3.42Å; C326-C346 CovalentContact SG-SG 2.04Å; C326-C346 PolarHBondContact SG-SG 2.88Å; C326-L350 HydrophobicContact CB-CD2 4.31Å
327	W	90.3	Very high	93.9	Very high	136 Å²	136	43.9 Å²	43.9	52%	0.515	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-20	-178.3	61.6	77.7	0	0	0	114.4	Y290 Y325 L329 E330 L350	Y290-W327 HydrophobicContact CE1-CZ3 4.45Å; Y325-W327 PolarHBondContact O-N 3.24Å; W327-L329 PolarHBondContact O-N 3.47Å; W327-E330 PolarHBondContact O-N 3.47Å; W327-L350 HydrophobicContact CD2-CD2 4.41Å; W327-L350 HydrophobicContact CE3-CD2 3.95Å; W327-L350 HydrophobicContact CH2-CD1 3.39Å; W327-L350 HydrophobicContact CH2-CD2 3.95Å; W327-L350 HydrophobicContact CH2-CG 4.32Å; W327-L350 HydrophobicContact CZ2-CD1 4.25Å; W327-L350 HydrophobicContact CZ2-CD2 4.38Å; W327-L350 HydrophobicContact CZ3-CD1 3.63Å; W327-L350 HydrophobicContact CZ3-CD2 3.71Å; W327-L350 HydrophobicContact CZ3-CG 4.31Å
328	L	92.2	Very high	93.9	Very high	45 Å²	45	42.8 Å²	42.8	24%	0.236	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-20.8	174.5	-62.4	176.5	0	0	0	112.6	C326 S331 K342 L345	C326-L328 PolarHBondContact O-N 3.44Å; L328-S331 PolarHBondContact O-OG 3.29Å; L328-K342 WeakPolarHBondContact O-CE 3.3Å; L328-K342 PolarHBondContact O-NZ 2.95Å; L328-L345 HydrophobicContact CD1-CB 3.58Å; L328-L345 HydrophobicContact CD1-CD1 3.65Å; L328-L345 HydrophobicContact CD1-CG 4.27Å
329	L	92.1	Very high	93.7	Very high	10 Å²	10	44.4 Å²	44.4	5%	0.052	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-23.3	-177	-54.9	179.6	0	0	0	112.8	C326 W327 S331 T332 M338 K342 I386 E390	C326-L329 HydrophobicContact CB-CD1 3.81Å; C326-L329 HydrophobicContact CB-CG 3.96Å; C326-L329 WeakPolarHBondContact O-CB 3.28Å; C326-L329 PolarHBondContact O-N 2.85Å; W327-L329 PolarHBondContact O-N 3.47Å; L329-S331 PolarHBondContact O-N 2.96Å; L329-T332 PolarHBondContact O-N 3.48Å; L329-M338 HydrophobicContact CD1-CE 3.91Å; L329-M338 HydrophobicContact CD2-CE 3.76Å; L329-M338 HydrophobicContact CD2-SD 3.6Å; L329-M338 VanDerWaalsContact CD2-SD 3.6Å; L329-K342 HydrophobicContact CD2-CB 4.29Å; L329-K342 HydrophobicContact CD2-CD 4.09Å; L329-I386 HydrophobicContact CB-CG2 4.21Å; L329-I386 HydrophobicContact CD1-CG2 3.97Å; L329-I386 HydrophobicContact CD2-CG2 4.05Å; L329-I386 HydrophobicContact CG-CG2 4.29Å; L329-E390 HydrophobicContact CD1-CB 3.86Å; L329-E390 VanDerWaalsContact CD1-CD 3.42Å; L329-E390 HydrophobicContact CD1-CG 3.58Å; L329-E390 WeakPolarHBondContact CD1-OE2 3.44Å
330	E	86.8	Confident	93.6	Very high	109 Å²	109	49 Å²	49	51%	0.509	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-25.2	-178.7	-73	174.5	-146	0	0	114.1	W327 L376	W327-E330 PolarHBondContact O-N 3.47Å; E330-L376 HydrophobicContact CG-CD1 3.59Å
331	S	84.5	Confident	93.5	Very high	98 Å²	98	56.2 Å²	56.2	69%	0.685	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-1.9	-179.4	58.3	0	0	0	0	114.4	L328 L329	L328-S331 PolarHBondContact O-OG 3.29Å; L329-S331 PolarHBondContact O-N 2.96Å
332	T	87.1	Confident	93.3	Very high	29 Å²	29	56.7 Å²	56.7	18%	0.178	30%	0.297	C	S	.	.	S	Bend	trans	-129.5	133.7	-176	-58.1	0	0	0	0	109.8	L329 A334 E336 K342 I386	L329-T332 PolarHBondContact O-N 3.48Å; T332-A334 PolarHBondContact O-N 3.05Å; T332-E336 HydrophobicContact CG2-CB 4.17Å; T332-E336 WeakPolarHBondContact CG2-OE2 3.45Å; T332-K342 PolarHBondContact OG1-NZ 3.43Å; T332-I386 HydrophobicContact CG2-CD1 3.5Å
333	P	90.5	Very high	93.2	Very high	71 Å²	71	62.6 Å²	62.6	46%	0.461	32%	0.319	S	S	.	.			trans	-53.9	128.2	174.6	-24.5	33.9	0	0	0	111.1	T335 E336	P333-T335 PolarHBondContact O-N 3.15Å; P333-T335 VanDerWaalsContact O-N 3.08Å; P333-E336 HydrophobicContact CB-CG 4.2Å; P333-E336 WeakPolarHBondContact CD-OE1 3.29Å; P333-E336 HydrophobicContact CG-CG 4.5Å; P333-E336 WeakPolarHBondContact CG-OE1 3.13Å; P333-E336 WeakPolarHBondContact O-CB 3.5Å; P333-E336 PolarHBondContact O-N 3.47Å
334	A	90.6	Very high	93.2	Very high	28 Å²	28	68.7 Å²	68.7	23%	0.231	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-16.5	-172	0	0	0	0	0	113.9	T332 E336 I386 N387	T332-A334 PolarHBondContact O-N 3.05Å; A334-E336 VanDerWaalsContact C-N 3.3Å; A334-I386 HydrophobicContact CB-CG2 4.35Å; A334-I386 WeakPolarHBondContact O-CB 3.45Å; A334-I386 PolarHBondContact O-N 2.86Å; A334-N387 WeakPolarHBondContact CB-OD1 3.25Å; A334-N387 WeakPolarHBondContact O-CB 3.44Å; A334-N387 PolarHBondContact O-N 2.93Å; A334-N387 PolarHBondContact O-ND2 3.28Å
335	T	92.7	Very high	93.2	Very high	93 Å²	93	71.6 Å²	71.6	57%	0.571	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-14.1	174.3	54.1	0	0	0	0	113.6	P333	P333-T335 PolarHBondContact O-N 3.15Å; P333-T335 VanDerWaalsContact O-N 3.08Å
336	E	95.1	Very high	93.4	Very high	101 Å²	101	69.7 Å²	69.7	47%	0.472	35%	0.351	S	S	.	.	S	Bend	trans	-75.5	159.4	178.4	-70.7	-176.7	-161.6	0	0	112	T332 P333 A334 M338 S385 I386	T332-E336 HydrophobicContact CG2-CB 4.17Å; T332-E336 WeakPolarHBondContact CG2-OE2 3.45Å; P333-E336 HydrophobicContact CB-CG 4.2Å; P333-E336 WeakPolarHBondContact CD-OE1 3.29Å; P333-E336 HydrophobicContact CG-CG 4.5Å; P333-E336 WeakPolarHBondContact CG-OE1 3.13Å; P333-E336 WeakPolarHBondContact O-CB 3.5Å; P333-E336 PolarHBondContact O-N 3.47Å; A334-E336 VanDerWaalsContact C-N 3.3Å; E336-M338 PolarHBondContact O-N 2.88Å; E336-S385 CarbonylContact O-C 3.55Å; E336-S385 VanDerWaalsContact O-CA 3.3Å; E336-S385 WeakPolarHBondContact O-CA 3.44Å; E336-I386 PolarHBondContact O-N 2.69Å
337	H	96.5	Very high	93.4	Very high	112 Å²	112	70 Å²	70	52%	0.519	35%	0.352	S	S	.	.	B	Isolated β-bridge	trans	-60.3	129.5	175.6	172.2	-73	0	0	0	111.2	P339 D384	H337-P339 WeakPolarHBondContact O-CD 3.43Å; H337-D384 CarbonylContact C-O 3.27Å; H337-D384 WeakPolarHBondContact CA-O 3.41Å
338	M	96.2	Very high	93.7	Very high	6 Å²	6	68.5 Å²	68.5	3%	0.03	35%	0.351	C	S	.	.			trans	-64.7	110.5	176.7	178.1	69.4	88.5	0	0	111.3	L329 E336 S340 K342 R343 D384 I386 V389 E390	L329-M338 HydrophobicContact CD1-CE 3.91Å; L329-M338 HydrophobicContact CD2-CE 3.76Å; L329-M338 HydrophobicContact CD2-SD 3.6Å; L329-M338 VanDerWaalsContact CD2-SD 3.6Å; E336-M338 PolarHBondContact O-N 2.88Å; M338-S340 PolarHBondContact O-N 3.23Å; M338-K342 HydrophobicContact SD-CB 4.06Å; M338-R343 HydrophobicContact CG-CB 3.7Å; M338-R343 HydrophobicContact CG-CG 4.28Å; M338-R343 HydrophobicContact SD-CB 4.4Å; M338-D384 PolarHBondContact N-O 2.78Å; M338-I386 HydrophobicContact CB-CG1 3.99Å; M338-I386 HydrophobicContact CE-CB 4.33Å; M338-I386 HydrophobicContact CE-CG1 4.23Å; M338-I386 HydrophobicContact CE-CG2 4.09Å; M338-I386 HydrophobicContact SD-CG1 3.88Å; M338-V389 HydrophobicContact CB-CB 4.09Å; M338-V389 HydrophobicContact CB-CG1 4.23Å; M338-V389 HydrophobicContact CB-CG2 4.08Å; M338-V389 HydrophobicContact CE-CB 4.17Å; M338-V389 HydrophobicContact CE-CG1 3.98Å; M338-V389 HydrophobicContact CG-CB 4.28Å; M338-V389 HydrophobicContact CG-CG1 3.92Å; M338-E390 HydrophobicContact CE-CB 4.1Å
339	P	95.3	Very high	93.9	Very high	37 Å²	37	70.3 Å²	70.3	24%	0.24	36%	0.36	C	S	.	.			trans	-62.2	135.6	178	-20.7	34	0	0	0	111.1	H337 W341 K342 R343	H337-P339 WeakPolarHBondContact O-CD 3.43Å; P339-W341 PolarHBondContact O-N 3.14Å; P339-W341 VanDerWaalsContact O-N 3.08Å; P339-K342 HydrophobicContact CB-CB 4.41Å; P339-K342 HydrophobicContact CB-CG 4.27Å; P339-K342 HydrophobicContact CG-CD 4.15Å; P339-K342 HydrophobicContact CG-CG 4.26Å; P339-K342 PolarHBondContact O-N 3.12Å; P339-R343 PolarHBondContact O-N 2.95Å
340	S	95.9	Very high	94.1	Very high	97 Å²	97	71 Å²	71	68%	0.678	36%	0.364	S	S	*	.	H	α-helix	trans	-55.8	-34.4	-174.5	-48.2	0	0	0	0	113.7	M338 Y344	M338-S340 PolarHBondContact O-N 3.23Å; S340-Y344 WeakPolarHBondContact O-CB 3.21Å; S340-Y344 PolarHBondContact O-N 3.24Å
341	W	96	Very high	94.6	Very high	150 Å²	150	65.8 Å²	65.8	57%	0.568	34%	0.34	S	S	*	.	H	α-helix	trans	-71.2	-38.4	176.9	72.1	-93.8	0	0	0	112.3	P339 Y344 L345	P339-W341 PolarHBondContact O-N 3.14Å; P339-W341 VanDerWaalsContact O-N 3.08Å; W341-Y344 PolarHBondContact O-N 3Å; W341-L345 HydrophobicContact CE3-CD1 3.69Å; W341-L345 HydrophobicContact CZ3-CD1 3.82Å; W341-L345 WeakPolarHBondContact O-CG 3.37Å; W341-L345 PolarHBondContact O-N 3.25Å; W341-L345 VanDerWaalsContact O-N 3.12Å
342	K	95.7	Very high	95.2	Very high	12 Å²	12	63.8 Å²	63.8	5%	0.052	32%	0.321	C	S	.	.	H	α-helix	trans	-65.3	-46.8	174.2	-70.8	-163.8	179.4	-166.6	0	110.2	L328 L329 T332 M338 P339 Y344 L345 C346	L328-K342 WeakPolarHBondContact O-CE 3.3Å; L328-K342 PolarHBondContact O-NZ 2.95Å; L329-K342 HydrophobicContact CD2-CB 4.29Å; L329-K342 HydrophobicContact CD2-CD 4.09Å; T332-K342 PolarHBondContact OG1-NZ 3.43Å; M338-K342 HydrophobicContact SD-CB 4.06Å; P339-K342 HydrophobicContact CB-CB 4.41Å; P339-K342 HydrophobicContact CB-CG 4.27Å; P339-K342 HydrophobicContact CG-CD 4.15Å; P339-K342 HydrophobicContact CG-CG 4.26Å; P339-K342 PolarHBondContact O-N 3.12Å; K342-Y344 VanDerWaalsContact C-N 3.31Å; K342-Y344 PolarHBondContact O-N 3.27Å; K342-L345 PolarHBondContact O-N 3.08Å; K342-L345 VanDerWaalsContact O-N 3.12Å; K342-C346 PolarHBondContact O-N 3.33Å; K342-C346 PolarHBondContact O-SG 2.85Å; K342-C346 VanDerWaalsContact O-SG 3.39Å
343	R	96.6	Very high	95.6	Very high	128 Å²	128	66.4 Å²	66.4	48%	0.483	33%	0.328	S	S	.	.	H	α-helix	trans	-52.8	-48.2	174.9	-171.6	177	176.6	174	-1.8	112.1	M338 P339 L345 D347 V389	M338-R343 HydrophobicContact CG-CB 3.7Å; M338-R343 HydrophobicContact CG-CG 4.28Å; M338-R343 HydrophobicContact SD-CB 4.4Å; P339-R343 PolarHBondContact O-N 2.95Å; R343-L345 PolarHBondContact O-N 3Å; R343-D347 WeakPolarHBondContact CG-OD2 3.26Å; R343-D347 IonicContact NE-OD2 2.78Å; R343-D347 PolarHBondContact NE-OD2 3.4Å; R343-D347 WeakPolarHBondContact O-CB 3.27Å; R343-D347 VanDerWaalsContact O-CG 3.24Å; R343-D347 PolarHBondContact O-N 2.81Å; R343-V389 HydrophobicContact CG-CG1 4.13Å
344	Y	97.3	Very high	95.9	Very high	135 Å²	135	63 Å²	63	53%	0.529	31%	0.306	S	S	.	.	I	π-helix	trans	-61	-45.6	178.3	179.5	-95	0	0	0	112	S340 W341 K342 Q348 L349	S340-Y344 WeakPolarHBondContact O-CB 3.21Å; S340-Y344 PolarHBondContact O-N 3.24Å; W341-Y344 PolarHBondContact O-N 3Å; K342-Y344 VanDerWaalsContact C-N 3.31Å; K342-Y344 PolarHBondContact O-N 3.27Å; Y344-Q348 HydrophobicContact CD2-CB 3.97Å; Y344-Q348 HydrophobicContact CD2-CG 3.86Å; Y344-Q348 HydrophobicContact CE2-CB 3.98Å; Y344-Q348 HydrophobicContact CE2-CG 4.17Å; Y344-Q348 WeakPolarHBondContact O-CA 3.08Å; Y344-Q348 VanDerWaalsContact O-CB 3.27Å; Y344-Q348 WeakPolarHBondContact O-CB 3.43Å; Y344-Q348 PolarHBondContact O-N 2.78Å; Y344-L349 HydrophobicContact CD1-CD1 4.48Å; Y344-L349 HydrophobicContact CD1-CG 4.5Å; Y344-L349 HydrophobicContact CE1-CD1 4Å; Y344-L349 HydrophobicContact CE1-CD2 4.26Å; Y344-L349 HydrophobicContact CE1-CG 4.03Å; Y344-L349 PolarHBondContact O-N 2.74Å
345	L	97.2	Very high	96.3	Very high	62 Å²	62	61.8 Å²	61.8	33%	0.325	30%	0.296	S	S	.	.	I	π-helix	trans	-67	-42.8	-179.8	-65.9	178.8	0	0	0	112.6	L328 W341 K342 R343 L349 L350	L328-L345 HydrophobicContact CD1-CB 3.58Å; L328-L345 HydrophobicContact CD1-CD1 3.65Å; L328-L345 HydrophobicContact CD1-CG 4.27Å; W341-L345 HydrophobicContact CE3-CD1 3.69Å; W341-L345 HydrophobicContact CZ3-CD1 3.82Å; W341-L345 WeakPolarHBondContact O-CG 3.37Å; W341-L345 PolarHBondContact O-N 3.25Å; W341-L345 VanDerWaalsContact O-N 3.12Å; K342-L345 PolarHBondContact O-N 3.08Å; K342-L345 VanDerWaalsContact O-N 3.12Å; R343-L345 PolarHBondContact O-N 3Å; L345-L349 HydrophobicContact CD2-CD1 3.57Å; L345-L349 WeakPolarHBondContact O-CB 3.09Å; L345-L350 WeakPolarHBondContact O-CB 3.32Å; L345-L350 PolarHBondContact O-N 2.74Å
346	C	97	Very high	96.5	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	30%	0.301	C	S	.	.	I	π-helix	trans	-69	-60	177	-60.8	0	0	0	0	110.6	C326 K342 L350 L351	C326-C346 HydrophobicContact CB-CB 3.79Å; C326-C346 WeakPolarHBondContact CB-SG 3.25Å; C326-C346 WeakPolarHBondContact SG-CB 3.42Å; C326-C346 CovalentContact SG-SG 2.04Å; C326-C346 PolarHBondContact SG-SG 2.88Å; K342-C346 PolarHBondContact O-N 3.33Å; K342-C346 PolarHBondContact O-SG 2.85Å; K342-C346 VanDerWaalsContact O-SG 3.39Å; C346-L350 PolarHBondContact O-N 3.36Å; C346-L351 WeakPolarHBondContact O-CB 3.19Å; C346-L351 PolarHBondContact O-N 2.94Å
347	D	96.5	Very high	96.5	Very high	12 Å²	12	60.7 Å²	60.7	6%	0.064	28%	0.282	C	S	.	.	I	π-helix	trans	-71.7	-48.2	-170.2	-58.7	2.7	0	0	0	112.7	R343 N352 A393	R343-D347 WeakPolarHBondContact CG-OD2 3.26Å; R343-D347 IonicContact NE-OD2 2.78Å; R343-D347 PolarHBondContact NE-OD2 3.4Å; R343-D347 WeakPolarHBondContact O-CB 3.27Å; R343-D347 VanDerWaalsContact O-CG 3.24Å; R343-D347 PolarHBondContact O-N 2.81Å; D347-N352 PolarHBondContact O-ND2 2.73Å; D347-A393 WeakPolarHBondContact OD1-CB 3.38Å
348	Q	95.6	Very high	96.6	Very high	104 Å²	104	55.3 Å²	55.3	49%	0.486	26%	0.257	S	S	.	.	I	π-helix	trans	-89.7	-31.6	-167.4	-57.5	-56.9	-44.8	0	0	112.5	Y344 N352	Y344-Q348 HydrophobicContact CD2-CB 3.97Å; Y344-Q348 HydrophobicContact CD2-CG 3.86Å; Y344-Q348 HydrophobicContact CE2-CB 3.98Å; Y344-Q348 HydrophobicContact CE2-CG 4.17Å; Y344-Q348 WeakPolarHBondContact O-CA 3.08Å; Y344-Q348 VanDerWaalsContact O-CB 3.27Å; Y344-Q348 WeakPolarHBondContact O-CB 3.43Å; Y344-Q348 PolarHBondContact O-N 2.78Å; Q348-N352 PolarHBondContact O-ND2 3Å
349	L	96.2	Very high	96.5	Very high	83 Å²	83	59 Å²	59	44%	0.435	27%	0.271	S	S	.	.	I	π-helix	trans	-101.1	-69	-179.8	-55.3	-174.7	0	0	0	111.7	Y344 L345 Y353	Y344-L349 HydrophobicContact CD1-CD1 4.48Å; Y344-L349 HydrophobicContact CD1-CG 4.5Å; Y344-L349 HydrophobicContact CE1-CD1 4Å; Y344-L349 HydrophobicContact CE1-CD2 4.26Å; Y344-L349 HydrophobicContact CE1-CG 4.03Å; Y344-L349 PolarHBondContact O-N 2.74Å; L345-L349 HydrophobicContact CD2-CD1 3.57Å; L345-L349 WeakPolarHBondContact O-CB 3.09Å; L349-Y353 WeakPolarHBondContact O-CB 2.99Å; L349-Y353 PolarHBondContact O-N 2.92Å
350	L	96.5	Very high	96.6	Very high	23 Å²	23	59.6 Å²	59.6	12%	0.12	28%	0.276	C	S	.	.	I	π-helix	trans	-65.8	-51.8	-167.4	-173.9	63.8	0	0	0	112.4	Y290 Y324 C326 W327 L345 C346 Y353 A354	Y290-L350 HydrophobicContact CD1-CD1 3.53Å; Y290-L350 HydrophobicContact CD1-CG 4.48Å; Y290-L350 HydrophobicContact CE1-CD1 3.47Å; Y290-L350 VanDerWaalsContact CE1-CD1 3.47Å; Y290-L350 HydrophobicContact CE1-CG 3.95Å; Y324-L350 HydrophobicContact CE2-CD2 4.24Å; Y324-L350 HydrophobicContact CE2-CG 4.01Å; C326-L350 HydrophobicContact CB-CD2 4.31Å; W327-L350 HydrophobicContact CD2-CD2 4.41Å; W327-L350 HydrophobicContact CE3-CD2 3.95Å; W327-L350 HydrophobicContact CH2-CD1 3.39Å; W327-L350 HydrophobicContact CH2-CD2 3.95Å; W327-L350 HydrophobicContact CH2-CG 4.32Å; W327-L350 HydrophobicContact CZ2-CD1 4.25Å; W327-L350 HydrophobicContact CZ2-CD2 4.38Å; W327-L350 HydrophobicContact CZ3-CD1 3.63Å; W327-L350 HydrophobicContact CZ3-CD2 3.71Å; W327-L350 HydrophobicContact CZ3-CG 4.31Å; L345-L350 WeakPolarHBondContact O-CB 3.32Å; L345-L350 PolarHBondContact O-N 2.74Å; C346-L350 PolarHBondContact O-N 3.36Å; L350-Y353 PolarHBondContact O-N 3.47Å; L350-A354 WeakPolarHBondContact O-CB 3.47Å; L350-A354 PolarHBondContact O-N 2.78Å
351	L	97.3	Very high	96.5	Very high	1 Å²	1	55 Å²	55	1%	0.005	24%	0.244	C	C	.	.	I	π-helix	trans	-61.1	-53.5	-179.3	-176.4	64.5	0	0	0	111.5	Y324 C346 Y353 A354 F355 A393 V394 A397	Y324-L351 HydrophobicContact CD1-CD1 3.97Å; Y324-L351 HydrophobicContact CD2-CD1 4.05Å; Y324-L351 HydrophobicContact CE1-CD1 3.67Å; Y324-L351 HydrophobicContact CE2-CB 3.99Å; Y324-L351 HydrophobicContact CE2-CD1 3.73Å; Y324-L351 HydrophobicContact CE2-CG 4.5Å; Y324-L351 HydrophobicContact CG-CD1 4.17Å; C346-L351 WeakPolarHBondContact O-CB 3.19Å; C346-L351 PolarHBondContact O-N 2.94Å; L351-Y353 VanDerWaalsContact C-N 3.26Å; L351-Y353 PolarHBondContact O-N 3.43Å; L351-A354 PolarHBondContact O-N 3.27Å; L351-F355 HydrophobicContact CD1-CD2 3.78Å; L351-F355 HydrophobicContact CD1-CE2 3.46Å; L351-F355 VanDerWaalsContact CD1-CE2 3.46Å; L351-F355 HydrophobicContact CG-CD2 4.26Å; L351-F355 HydrophobicContact CG-CE2 4.3Å; L351-F355 WeakPolarHBondContact O-CD2 3.28Å; L351-F355 PolarHBondContact O-N 2.82Å; L351-F355 VanDerWaalsContact O-N 3.09Å; L351-A393 HydrophobicContact CD2-CB 4.17Å; L351-A393 WeakPolarHBondContact CD2-O 3.36Å; L351-V394 HydrophobicContact CD1-CG2 4.1Å; L351-A397 HydrophobicContact CD1-CB 4.12Å; L351-A397 HydrophobicContact CD2-CB 3.63Å; L351-A397 HydrophobicContact CG-CB 3.8Å
352	N	96.7	Very high	96.5	Very high	55 Å²	55	48.4 Å²	48.4	29%	0.294	22%	0.22	S	C	.	.	H	α-helix	trans	-60.5	-37.9	178.4	-74.9	-27.9	0	0	0	112	D347 Q348 K356 R400	D347-N352 PolarHBondContact O-ND2 2.73Å; Q348-N352 PolarHBondContact O-ND2 3Å; N352-K356 WeakPolarHBondContact O-CB 3.41Å; N352-K356 PolarHBondContact O-N 3.08Å; N352-K356 VanDerWaalsContact O-N 3.08Å; N352-R400 PolarHBondContact OD1-NH2 3.12Å
353	Y	96.8	Very high	96.5	Very high	85 Å²	85	57.3 Å²	57.3	33%	0.333	25%	0.253	S	S	.	.	H	α-helix	trans	-64.5	-49.2	175.3	-179.7	-89.1	0	0	0	111.5	Y290 P292 L349 L350 L351 F355 K356 N357	Y290-Y353 WeakPolarHBondContact O-CE1 3.43Å; Y290-Y353 PolarHBondContact O-OH 3.41Å; P292-Y353 WeakPolarHBondContact CA-OH 3.3Å; L349-Y353 WeakPolarHBondContact O-CB 2.99Å; L349-Y353 PolarHBondContact O-N 2.92Å; L350-Y353 PolarHBondContact O-N 3.47Å; L351-Y353 VanDerWaalsContact C-N 3.26Å; L351-Y353 PolarHBondContact O-N 3.43Å; Y353-F355 PolarHBondContact O-N 3.3Å; Y353-K356 PolarHBondContact O-N 2.88Å; Y353-N357 HydrophobicContact CD1-CB 4.41Å; Y353-N357 HydrophobicContact CE1-CB 4.06Å; Y353-N357 VanDerWaalsContact O-CB 3.24Å; Y353-N357 WeakPolarHBondContact O-CB 3.49Å; Y353-N357 PolarHBondContact O-N 3.23Å
354	A	97.1	Very high	96.3	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-56	-53.2	-179.4	0	0	0	0	0	111.4	Y290 Y324 L350 L351 K356 N357 V358	Y290-A354 HydrophobicContact CD1-CB 4.35Å; Y290-A354 HydrophobicContact CE1-CB 3.84Å; Y324-A354 HydrophobicContact CD2-CB 4.04Å; Y324-A354 HydrophobicContact CE2-CB 4.47Å; L350-A354 WeakPolarHBondContact O-CB 3.47Å; L350-A354 PolarHBondContact O-N 2.78Å; L351-A354 PolarHBondContact O-N 3.27Å; A354-K356 PolarHBondContact O-N 2.67Å; A354-N357 PolarHBondContact O-N 2.66Å; A354-V358 WeakPolarHBondContact O-CB 3.33Å; A354-V358 WeakPolarHBondContact O-CG2 3.35Å; A354-V358 PolarHBondContact O-N 3.41Å
355	F	97.6	Very high	96.2	Very high	1 Å²	1	47.2 Å²	47.2	0%	0.004	22%	0.222	C	C	.	.	H	α-helix	trans	-61.7	-42.4	178.9	-86.3	-92.6	0	0	0	113	Y322 L351 Y353 N357 R359 L371 A397 A398 N401 E403	Y322-F355 WeakPolarHBondContact OH-CE1 3.49Å; L351-F355 HydrophobicContact CD1-CD2 3.78Å; L351-F355 HydrophobicContact CD1-CE2 3.46Å; L351-F355 VanDerWaalsContact CD1-CE2 3.46Å; L351-F355 HydrophobicContact CG-CD2 4.26Å; L351-F355 HydrophobicContact CG-CE2 4.3Å; L351-F355 WeakPolarHBondContact O-CD2 3.28Å; L351-F355 PolarHBondContact O-N 2.82Å; L351-F355 VanDerWaalsContact O-N 3.09Å; Y353-F355 PolarHBondContact O-N 3.3Å; F355-N357 VanDerWaalsContact C-N 3.34Å; F355-R359 WeakPolarHBondContact O-CB 3.48Å; F355-R359 PolarHBondContact O-N 3.45Å; F355-R359 VanDerWaalsContact O-N 3.14Å; F355-L371 HydrophobicContact CZ-CD2 4.01Å; F355-A397 HydrophobicContact CD2-CB 4.19Å; F355-A397 HydrophobicContact CE2-CB 3.92Å; F355-A397 HydrophobicContact CZ-CB 4.18Å; F355-A398 HydrophobicContact CE1-CB 4.42Å; F355-A398 HydrophobicContact CZ-CB 4.27Å; F355-N401 HydrophobicContact CD1-CB 3.49Å; F355-N401 VanDerWaalsContact CD1-CB 3.49Å; F355-N401 WeakPolarHBondContact CD1-ND2 3.48Å; F355-N401 HydrophobicContact CE1-CB 3.94Å; F355-N401 HydrophobicContact CG-CB 4.45Å; F355-E403 HydrophobicContact CD1-CB 4.34Å; F355-E403 HydrophobicContact CD1-CG 4.41Å; F355-E403 HydrophobicContact CE1-CB 3.62Å; F355-E403 HydrophobicContact CE1-CG 3.68Å; F355-E403 HydrophobicContact CZ-CG 4.48Å
356	K	96.7	Very high	96.2	Very high	159 Å²	159	44.7 Å²	44.7	69%	0.691	21%	0.211	S	C	*	.	H	α-helix	trans	-63.9	-42.3	176.6	-178	-179.2	177.6	-177.2	0	111.2	N352 Y353 A354 R359 S360	N352-K356 WeakPolarHBondContact O-CB 3.41Å; N352-K356 PolarHBondContact O-N 3.08Å; N352-K356 VanDerWaalsContact O-N 3.08Å; Y353-K356 PolarHBondContact O-N 2.88Å; A354-K356 PolarHBondContact O-N 2.67Å; K356-R359 PolarHBondContact O-N 3.08Å; K356-S360 PolarHBondContact O-N 3.12Å
357	N	96.6	Very high	96.2	Very high	12 Å²	12	44.7 Å²	44.7	6%	0.064	21%	0.211	C	C	.	.	H	α-helix	trans	-72.2	-44.3	-176.3	-160	39.6	0	0	0	111.2	I289 F291 Y353 A354 F355 R359 S360 I361	I289-N357 PolarHBondContact O-ND2 3.04Å; F291-N357 PolarHBondContact O-ND2 2.75Å; Y353-N357 HydrophobicContact CD1-CB 4.41Å; Y353-N357 HydrophobicContact CE1-CB 4.06Å; Y353-N357 VanDerWaalsContact O-CB 3.24Å; Y353-N357 WeakPolarHBondContact O-CB 3.49Å; Y353-N357 PolarHBondContact O-N 3.23Å; A354-N357 PolarHBondContact O-N 2.66Å; F355-N357 VanDerWaalsContact C-N 3.34Å; N357-R359 VanDerWaalsContact C-N 3.29Å; N357-R359 PolarHBondContact O-N 2.91Å; N357-S360 CarbonylContact O-C 3.44Å; N357-S360 WeakPolarHBondContact O-CA 3.32Å; N357-S360 WeakPolarHBondContact O-CB 3.32Å; N357-S360 PolarHBondContact O-N 3.17Å; N357-I361 WeakPolarHBondContact O-CD1 3.17Å; N357-I361 VanDerWaalsContact O-CG1 3.23Å; N357-I361 WeakPolarHBondContact O-CG1 3.48Å; N357-I361 PolarHBondContact O-N 2.78Å
358	V	97	Very high	96.3	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-54.3	-45.8	172.3	168.7	0	0	0	0	111	I289 L320 Y322 A354 S360 I361 V362 R369	I289-V358 HydrophobicContact CB-CG2 4.02Å; I289-V358 HydrophobicContact CD1-CG2 4.41Å; I289-V358 HydrophobicContact CG2-CG2 3.96Å; L320-V358 HydrophobicContact CD2-CG1 4.21Å; Y322-V358 HydrophobicContact CD1-CG1 3.82Å; Y322-V358 HydrophobicContact CD1-CG2 4.08Å; Y322-V358 HydrophobicContact CD2-CG2 3.84Å; Y322-V358 HydrophobicContact CE1-CB 4.39Å; Y322-V358 HydrophobicContact CE1-CG1 3.6Å; Y322-V358 HydrophobicContact CE1-CG2 4.2Å; Y322-V358 HydrophobicContact CE2-CG2 3.93Å; Y322-V358 HydrophobicContact CG-CG1 4.47Å; Y322-V358 HydrophobicContact CG-CG2 3.89Å; A354-V358 WeakPolarHBondContact O-CB 3.33Å; A354-V358 WeakPolarHBondContact O-CG2 3.35Å; A354-V358 PolarHBondContact O-N 3.41Å; V358-S360 VanDerWaalsContact C-N 3.3Å; V358-S360 PolarHBondContact O-N 2.78Å; V358-I361 WeakPolarHBondContact O-CB 3.31Å; V358-I361 PolarHBondContact O-N 3.29Å; V358-V362 PolarHBondContact O-N 2.79Å; V358-R369 HydrophobicContact CG1-CB 3.8Å; V358-R369 HydrophobicContact CG1-CG 4.43Å
359	R	95.7	Very high	96.4	Very high	83 Å²	83	40.4 Å²	40.4	31%	0.313	19%	0.19	S	C	.	.	H	α-helix	trans	-60.1	-40.8	175.2	-166.3	-168.5	-56.4	-157.9	2.8	112.2	F355 K356 N357 R363 N401	F355-R359 WeakPolarHBondContact O-CB 3.48Å; F355-R359 PolarHBondContact O-N 3.45Å; F355-R359 VanDerWaalsContact O-N 3.14Å; K356-R359 PolarHBondContact O-N 3.08Å; N357-R359 VanDerWaalsContact C-N 3.29Å; N357-R359 PolarHBondContact O-N 2.91Å; R359-R363 WeakPolarHBondContact O-CB 3.34Å; R359-R363 VanDerWaalsContact O-CG 3.25Å; R359-R363 WeakPolarHBondContact O-CG 3.24Å; R359-R363 PolarHBondContact O-N 3.04Å; R359-R363 VanDerWaalsContact O-N 3.08Å; R359-N401 PolarHBondContact NH2-OD1 3.28Å
360	S	95.8	Very high	96.5	Very high	49 Å²	49	36.5 Å²	36.5	34%	0.343	17%	0.169	S	C	.	.	H	α-helix	trans	-66.8	-39.8	176.4	-167.1	0	0	0	0	112.1	F293 K356 N357 V358 R363 S364	F293-S360 WeakPolarHBondContact CE2-OG 3.32Å; F293-S360 WeakPolarHBondContact CZ-O 3.46Å; K356-S360 PolarHBondContact O-N 3.12Å; N357-S360 CarbonylContact O-C 3.44Å; N357-S360 WeakPolarHBondContact O-CA 3.32Å; N357-S360 WeakPolarHBondContact O-CB 3.32Å; N357-S360 PolarHBondContact O-N 3.17Å; V358-S360 VanDerWaalsContact C-N 3.3Å; V358-S360 PolarHBondContact O-N 2.78Å; S360-R363 PolarHBondContact O-N 2.64Å; S360-S364 PolarHBondContact O-N 3.03Å
361	I	95.4	Very high	96.6	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.005	16%	0.163	C	C	.	.	H	α-helix	trans	-58.8	-54.8	176.2	-66.9	157.4	0	0	0	109.3	F293 P298 T300 L320 N357 V358 R363 S364 T365	F293-I361 HydrophobicContact CE2-CG1 4Å; F293-I361 HydrophobicContact CZ-CG1 4.19Å; P298-I361 HydrophobicContact CB-CG1 4.1Å; P298-I361 HydrophobicContact CB-CG2 4.16Å; T300-I361 HydrophobicContact CG2-CD1 3.71Å; T300-I361 HydrophobicContact CG2-CG1 4.36Å; T300-I361 HydrophobicContact CG2-CG2 4.12Å; L320-I361 HydrophobicContact CD2-CB 4.24Å; L320-I361 HydrophobicContact CD2-CG2 3.71Å; N357-I361 WeakPolarHBondContact O-CD1 3.17Å; N357-I361 VanDerWaalsContact O-CG1 3.23Å; N357-I361 WeakPolarHBondContact O-CG1 3.48Å; N357-I361 PolarHBondContact O-N 2.78Å; V358-I361 WeakPolarHBondContact O-CB 3.31Å; V358-I361 PolarHBondContact O-N 3.29Å; I361-R363 VanDerWaalsContact C-N 3.33Å; I361-R363 PolarHBondContact O-N 3.07Å; I361-S364 WeakPolarHBondContact O-CA 3.39Å; I361-S364 WeakPolarHBondContact O-CB 3.42Å; I361-S364 PolarHBondContact O-N 3.13Å; I361-T365 HydrophobicContact CG2-CG2 4.32Å; I361-T365 PolarHBondContact O-N 3.32Å; I361-T365 PolarHBondContact O-OG1 2.9Å
362	V	95.8	Very high	96.7	Very high	12 Å²	12	35.3 Å²	35.3	7%	0.073	16%	0.163	C	C	.	.	H	α-helix	trans	-64.3	-36.1	-177.8	174	0	0	0	0	112.6	L320 V358 S364 T365 G366 G367 R369	L320-V362 HydrophobicContact CB-CG2 3.93Å; L320-V362 HydrophobicContact CD2-CG2 3.96Å; V358-V362 PolarHBondContact O-N 2.79Å; V362-S364 PolarHBondContact O-N 3.49Å; V362-T365 PolarHBondContact O-N 3.31Å; V362-G366 CarbonylContact O-C 3.56Å; V362-G366 VanDerWaalsContact O-CA 3.22Å; V362-G366 WeakPolarHBondContact O-CA 3.38Å; V362-G366 PolarHBondContact O-N 3.17Å; V362-G367 WeakPolarHBondContact CG1-O 3.36Å; V362-R369 HydrophobicContact CG2-CB 4.01Å
363	R	94.4	Very high	96.7	Very high	198 Å²	198	33 Å²	33	75%	0.747	15%	0.15	S	C	*	.	H	α-helix	trans	-60	-29.7	171.1	-77.1	172.7	177.5	-175.7	-3.5	113.5	R359 S360 I361	R359-R363 WeakPolarHBondContact O-CB 3.34Å; R359-R363 VanDerWaalsContact O-CG 3.25Å; R359-R363 WeakPolarHBondContact O-CG 3.24Å; R359-R363 PolarHBondContact O-N 3.04Å; R359-R363 VanDerWaalsContact O-N 3.08Å; S360-R363 PolarHBondContact O-N 2.64Å; I361-R363 VanDerWaalsContact C-N 3.33Å; I361-R363 PolarHBondContact O-N 3.07Å
364	S	94.3	Very high	96.7	Very high	51 Å²	51	29 Å²	29	36%	0.357	14%	0.135	S	C	.	.	H	α-helix	trans	-83.1	-46.3	178	-174.6	0	0	0	0	111.7	S360 I361 V362	S360-S364 PolarHBondContact O-N 3.03Å; I361-S364 WeakPolarHBondContact O-CA 3.39Å; I361-S364 WeakPolarHBondContact O-CB 3.42Å; I361-S364 PolarHBondContact O-N 3.13Å; V362-S364 PolarHBondContact O-N 3.49Å
365	T	94.7	Very high	96.4	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-80.9	-25.5	-175.1	57.1	0	0	0	0	113.6	P298 M302 R315 I361 V362	P298-T365 HydrophobicContact CG-CG2 4.25Å; M302-T365 WeakPolarHBondContact O-CG2 3.33Å; R315-T365 PolarHBondContact NE-O 3.35Å; R315-T365 VanDerWaalsContact NE-O 3.07Å; I361-T365 HydrophobicContact CG2-CG2 4.32Å; I361-T365 PolarHBondContact O-N 3.32Å; I361-T365 PolarHBondContact O-OG1 2.9Å; V362-T365 PolarHBondContact O-N 3.31Å
366	G	95.8	Very high	95.8	Very high	9 Å²	9	33.5 Å²	33.5	9%	0.093	16%	0.16	C	C	.	.			trans	76.4	177.8	-156.4	0	0	0	0	0	111.4	V305 V362	V305-G366 VanDerWaalsContact CG1-O 3.25Å; V305-G366 WeakPolarHBondContact CG1-O 3.47Å; V362-G366 CarbonylContact O-C 3.56Å; V362-G366 VanDerWaalsContact O-CA 3.22Å; V362-G366 WeakPolarHBondContact O-CA 3.38Å; V362-G366 PolarHBondContact O-N 3.17Å
367	G	97.7	Very high	95.5	Very high	1 Å²	1	26 Å²	26	1%	0.01	13%	0.128	C	C	.	.	S	Bend	trans	99	-176.8	-178.5	0	0	0	0	0	114.4	G53 R315 S318 V362	G53-G367 VanDerWaalsContact CA-O 3.24Å; G53-G367 WeakPolarHBondContact CA-O 3.22Å; R315-G367 VanDerWaalsContact O-CA 3.28Å; R315-G367 WeakPolarHBondContact O-CA 3.46Å; S318-G367 CarbonylContact O-C 3.47Å; S318-G367 VanDerWaalsContact O-CA 3.24Å; S318-G367 WeakPolarHBondContact O-CA 3.45Å; V362-G367 WeakPolarHBondContact CG1-O 3.36Å
368	G	98.2	Very high	95.1	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	-179.4	171	0	0	0	0	0	111.6	G53 S318 V319 L320	G53-G368 WeakPolarHBondContact O-CA 3.11Å; S318-G368 PolarHBondContact O-N 3.36Å; V319-G368 WeakPolarHBondContact CA-O 3.38Å; L320-G368 PolarHBondContact N-O 3.47Å
369	R	98.1	Very high	94.8	Very high	26 Å²	26	27.2 Å²	27.2	10%	0.098	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	149.5	172.1	48.8	-176.3	179.3	127.6	9.9	110.2	F55 L320 Y322 V358 V362 N401 E403	F55-R369 WeakPolarHBondContact CE2-O 3.44Å; L320-R369 WeakPolarHBondContact O-CA 3.41Å; Y322-R369 HydrophobicContact CE1-CB 4.39Å; V358-R369 HydrophobicContact CG1-CB 3.8Å; V358-R369 HydrophobicContact CG1-CG 4.43Å; V362-R369 HydrophobicContact CG2-CB 4.01Å; R369-N401 PolarHBondContact NH2-O 2.72Å; R369-E403 WeakPolarHBondContact CD-OE2 3.41Å; R369-E403 WeakPolarHBondContact CG-OE1 3.44Å; R369-E403 WeakPolarHBondContact CG-OE2 3.44Å; R369-E403 IonicContact CZ-OE2 3.46Å; R369-E403 IonicContact NE-OE2 2.59Å; R369-E403 PolarHBondContact NE-OE2 3.39Å; R369-E403 IonicContact NH1-OE2 2.97Å; R369-E403 PolarHBondContact NH1-OE2 3.43Å; R369-E403 IonicContact NH2-OE2 3.82Å
370	F	98.8	Very high	94.5	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	125.8	177.3	-160.5	-63.7	0	0	0	109.7	F55 F65 V98 I138 L231 F281 V319 L320 Y322 T372 E403 S404 W405 T406	F55-F370 HydrophobicContact CE1-CD2 4.44Å; F55-F370 HydrophobicContact CE2-CD2 4.08Å; F55-F370 HydrophobicContact CZ-CB 4.28Å; F55-F370 AromaticContact CZ-CD2 3.67Å; F55-F370 HydrophobicContact CZ-CD2 3.67Å; F55-F370 HydrophobicContact CZ-CG 4.46Å; F65-F370 HydrophobicContact CB-CE2 3.78Å; F65-F370 HydrophobicContact CB-CZ 4.09Å; F65-F370 HydrophobicContact CD2-CE2 4.28Å; F65-F370 HydrophobicContact CG-CE2 4.34Å; V98-F370 HydrophobicContact CG1-CZ 3.96Å; I138-F370 HydrophobicContact CD1-CD2 4.39Å; I138-F370 HydrophobicContact CD1-CE1 4.22Å; I138-F370 HydrophobicContact CD1-CE2 3.95Å; I138-F370 HydrophobicContact CD1-CZ 3.89Å; L231-F370 HydrophobicContact CD2-CE2 4.29Å; F281-F370 HydrophobicContact CD1-CB 4.33Å; F281-F370 HydrophobicContact CE1-CB 3.68Å; F281-F370 HydrophobicContact CE1-CD1 4.49Å; F281-F370 AromaticContact CE1-CD2 3.68Å; F281-F370 HydrophobicContact CE1-CD2 3.68Å; F281-F370 HydrophobicContact CE1-CE2 4.44Å; F281-F370 AromaticContact CE1-CG 3.72Å; F281-F370 HydrophobicContact CE1-CG 3.72Å; F281-F370 HydrophobicContact CZ-CD2 4.03Å; V319-F370 HydrophobicContact CG1-CB 3.69Å; L320-F370 PolarHBondContact O-N 2.96Å; Y322-F370 WeakPolarHBondContact CD1-O 3.33Å; Y322-F370 VanDerWaalsContact CE1-C 3.49Å; Y322-F370 PolarHBondContact N-O 3.21Å; Y322-F370 VanDerWaalsContact N-O 3.16Å; F370-T372 VanDerWaalsContact C-N 3.32Å; F370-T372 HydrophobicContact CB-CG2 4.21Å; F370-T372 HydrophobicContact CD1-CG2 3.55Å; F370-T372 HydrophobicContact CE1-CG2 4.25Å; F370-T372 HydrophobicContact CG-CG2 4.15Å; F370-T372 PolarHBondContact O-N 3.01Å; F370-E403 VanDerWaalsContact CA-OE1 3.27Å; F370-E403 WeakPolarHBondContact CA-OE1 3.38Å; F370-E403 PolarHBondContact N-OE1 3.21Å; F370-S404 VanDerWaalsContact CD2-CB 3.49Å; F370-S404 VanDerWaalsContact CE2-CB 3.41Å; F370-W405 VanDerWaalsContact CE1-C 3.49Å; F370-T406 HydrophobicContact CE1-CG2 3.94Å; F370-T406 HydrophobicContact CZ-CG2 4.1Å
371	L	98.7	Very high	94.1	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	82.3	171.1	176.6	61.7	0	0	0	109.6	Y322 F355 E373 F374 V394 E403 S404 W405 T406	Y322-L371 HydrophobicContact CD2-CD1 3.95Å; Y322-L371 HydrophobicContact CE1-CB 4.14Å; Y322-L371 HydrophobicContact CE2-CB 4.21Å; Y322-L371 HydrophobicContact CE2-CD1 3.56Å; Y322-L371 HydrophobicContact CE2-CG 4.44Å; Y322-L371 CarbonylContact O-C 3.45Å; Y322-L371 WeakPolarHBondContact O-CA 3.27Å; F355-L371 HydrophobicContact CZ-CD2 4.01Å; L371-E373 VanDerWaalsContact C-N 3.27Å; L371-E373 VanDerWaalsContact CD1-O 3.28Å; L371-E373 WeakPolarHBondContact CD1-O 3.38Å; L371-E373 PolarHBondContact O-N 3.31Å; L371-F374 HydrophobicContact CD1-CB 4.43Å; L371-F374 HydrophobicContact CD2-CB 4.25Å; L371-F374 HydrophobicContact CD2-CD1 3.86Å; L371-F374 HydrophobicContact CD2-CG 4.23Å; L371-F374 HydrophobicContact CG-CB 4.48Å; L371-F374 HydrophobicContact CG-CD1 4.17Å; L371-V394 HydrophobicContact CD2-CG1 3.91Å; L371-E403 HydrophobicContact CB-CG 4.05Å; L371-E403 PolarHBondContact N-OE1 3.23Å; L371-S404 PolarHBondContact N-O 3.48Å; L371-W405 HydrophobicContact CB-CB 4.03Å; L371-W405 HydrophobicContact CD2-CB 4.12Å; L371-W405 HydrophobicContact CG-CB 4.25Å; L371-W405 CarbonylContact O-C 3.51Å; L371-W405 WeakPolarHBondContact O-CA 3.37Å; L371-T406 PolarHBondContact O-N 3.48Å
372	T	98.4	Very high	94	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	-19.7	-170.9	43.4	0	0	0	0	113.4	N69 F281 S321 Y322 H323 F370 T406	N69-T372 PolarHBondContact ND2-O 3.12Å; F281-T372 HydrophobicContact CD1-CG2 4.07Å; F281-T372 HydrophobicContact CE1-CG2 4.35Å; S321-T372 WeakPolarHBondContact OG-CB 3.47Å; S321-T372 WeakPolarHBondContact OG-CG2 3.3Å; S321-T372 PolarHBondContact OG-OG1 2.94Å; Y322-T372 PolarHBondContact N-OG1 3.28Å; Y322-T372 PolarHBondContact O-N 3.26Å; Y322-T372 PolarHBondContact O-OG1 2.98Å; H323-T372 PolarHBondContact CD2-OG1 2.91Å; H323-T372 PolarHBondContact NE2-OG1 2.83Å; H323-T372 VanDerWaalsContact NE2-OG1 3.07Å; F370-T372 VanDerWaalsContact C-N 3.32Å; F370-T372 HydrophobicContact CB-CG2 4.21Å; F370-T372 HydrophobicContact CD1-CG2 3.55Å; F370-T372 HydrophobicContact CE1-CG2 4.25Å; F370-T372 HydrophobicContact CG-CG2 4.15Å; F370-T372 PolarHBondContact O-N 3.01Å; T372-T406 CarbonylContact C-O 3.52Å; T372-T406 VanDerWaalsContact CA-OG1 3.25Å; T372-T406 WeakPolarHBondContact CA-OG1 3.33Å; T372-T406 PolarHBondContact O-OG1 2.91Å
373	E	97.1	Very high	93.9	Very high	5 Å²	5	31.9 Å²	31.9	2%	0.023	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	137.9	169.3	-60.9	-178.3	-167.6	0	0	112.3	R100 H142 N237 H323 Y324 Y325 L371 T406 W408	R100-E373 IonicContact CZ-OE1 2.75Å; R100-E373 IonicContact NH1-OE1 2.72Å; R100-E373 PolarHBondContact NH1-OE1 2.86Å; R100-E373 IonicContact NH2-OE1 3.36Å; H142-E373 IonicContact CE1-OE1 3.4Å; H142-E373 PolarHBondContact CE1-OE1 2.9Å; N237-E373 PolarHBondContact OD1-OE1 3.23Å; N237-E373 VanDerWaalsContact OD1-OE1 3.12Å; H323-E373 CarbonylContact C-O 3.57Å; H323-E373 WeakPolarHBondContact CA-O 3.25Å; H323-E373 HydrophobicContact CB-CB 4.12Å; H323-E373 VanDerWaalsContact CD2-CB 3.46Å; H323-E373 WeakPolarHBondContact CD2-CB 3.35Å; H323-E373 PolarHBondContact CD2-N 3.47Å; H323-E373 VanDerWaalsContact CD2-N 3.34Å; H323-E373 VanDerWaalsContact CE1-CG 3.46Å; H323-E373 WeakPolarHBondContact CE1-CG 3.09Å; H323-E373 IonicContact CE1-OE1 3.29Å; H323-E373 PolarHBondContact CE1-OE1 3.27Å; H323-E373 VanDerWaalsContact CE1-OE1 3.28Å; H323-E373 IonicContact CE1-OE2 2.74Å; H323-E373 PolarHBondContact CE1-OE2 3.16Å; H323-E373 IonicContact ND1-OE2 2.91Å; H323-E373 PolarHBondContact ND1-OE2 2.85Å; H323-E373 VanDerWaalsContact NE2-CG 3.33Å; H323-E373 WeakPolarHBondContact NE2-CG 3.38Å; H323-E373 IonicContact NE2-OE1 2.71Å; Y324-E373 PolarHBondContact N-O 3.44Å; Y325-E373 HydrophobicContact CE2-CB 4.42Å; Y325-E373 PolarHBondContact OH-OE2 3.22Å; Y325-E373 VanDerWaalsContact OH-OE2 3.08Å; L371-E373 VanDerWaalsContact C-N 3.27Å; L371-E373 VanDerWaalsContact CD1-O 3.28Å; L371-E373 WeakPolarHBondContact CD1-O 3.38Å; L371-E373 PolarHBondContact O-N 3.31Å; E373-T406 WeakPolarHBondContact CA-O 3.34Å; E373-W408 HydrophobicContact CB-CB 4.35Å; E373-W408 HydrophobicContact CG-CE3 4.1Å
374	F	96	Very high	93.9	Very high	1 Å²	1	26.5 Å²	26.5	0%	0.004	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	153.8	157.9	72.2	-77.7	0	0	0	107.1	Y324 L371 V394 L395 W405 Y407 W408 F427	Y324-F374 VanDerWaalsContact O-CA 3.29Å; Y324-F374 WeakPolarHBondContact O-CA 3.49Å; Y324-F374 WeakPolarHBondContact O-CB 3.23Å; L371-F374 HydrophobicContact CD1-CB 4.43Å; L371-F374 HydrophobicContact CD2-CB 4.25Å; L371-F374 HydrophobicContact CD2-CD1 3.86Å; L371-F374 HydrophobicContact CD2-CG 4.23Å; L371-F374 HydrophobicContact CG-CB 4.48Å; L371-F374 HydrophobicContact CG-CD1 4.17Å; F374-V394 HydrophobicContact CB-CG1 4.07Å; F374-V394 HydrophobicContact CD1-CG1 4.34Å; F374-V394 HydrophobicContact CD2-CB 4.03Å; F374-V394 HydrophobicContact CD2-CG1 3.57Å; F374-V394 HydrophobicContact CD2-CG2 4.44Å; F374-V394 HydrophobicContact CE2-CB 4.36Å; F374-V394 HydrophobicContact CE2-CG1 4.07Å; F374-V394 HydrophobicContact CG-CG1 3.72Å; F374-L395 HydrophobicContact CE1-CD2 4.5Å; F374-L395 HydrophobicContact CE2-CD2 4.35Å; F374-L395 HydrophobicContact CE2-CG 4.38Å; F374-L395 HydrophobicContact CZ-CD2 3.72Å; F374-L395 HydrophobicContact CZ-CG 4.23Å; F374-W405 HydrophobicContact CD1-CB 4.42Å; F374-W405 HydrophobicContact CE1-CB 4.03Å; F374-W405 AromaticContact CE1-CD2 3.99Å; F374-W405 HydrophobicContact CE1-CD2 3.99Å; F374-W405 AromaticContact CE1-CE3 3.65Å; F374-W405 HydrophobicContact CE1-CE3 3.65Å; F374-W405 HydrophobicContact CE1-CG 4.19Å; F374-W405 HydrophobicContact CE1-CZ3 4.44Å; F374-W405 HydrophobicContact CZ-CD2 4.42Å; F374-W405 HydrophobicContact CZ-CE3 4.05Å; F374-W405 HydrophobicContact CZ-CZ3 4.46Å; F374-Y407 HydrophobicContact CD2-CD2 4.19Å; F374-Y407 HydrophobicContact CE1-CD2 4.42Å; F374-Y407 AromaticContact CE2-CD2 3.7Å; F374-Y407 HydrophobicContact CE2-CD2 3.7Å; F374-Y407 HydrophobicContact CE2-CE2 4.49Å; F374-Y407 AromaticContact CZ-CD2 3.83Å; F374-Y407 HydrophobicContact CZ-CD2 3.83Å; F374-Y407 HydrophobicContact CZ-CG 4.35Å; F374-Y407 WeakPolarHBondContact O-CD2 3.48Å; F374-W408 PolarHBondContact O-N 2.98Å; F374-F427 HydrophobicContact CE2-CE1 4.23Å; F374-F427 HydrophobicContact CZ-CE1 4.06Å
375	G	91.8	Very high	94	Very high	6 Å²	6	24 Å²	24	6%	0.062	14%	0.143	C	C	.	.			trans	-177.5	-148.1	-176.9	0	0	0	0	0	112.1	Y325 C377	Y325-G375 VanDerWaalsContact CE1-N 3.28Å; G375-C377 PolarHBondContact O-N 2.85Å
376	L	85.1	Confident	94	Very high	90 Å²	90	24.1 Å²	24.1	47%	0.471	14%	0.144	S	C	.	.	S	Bend	trans	60.2	23.2	-170.2	-54.4	175.4	0	0	0	113.3	Y325 E330	Y325-L376 HydrophobicContact CD1-CB 4.5Å; Y325-L376 HydrophobicContact CD1-CD1 3.79Å; Y325-L376 HydrophobicContact CD1-CG 3.79Å; Y325-L376 HydrophobicContact CE1-CD1 4.5Å; Y325-L376 HydrophobicContact CE1-CG 4.1Å; Y325-L376 HydrophobicContact CG-CD1 4.45Å; E330-L376 HydrophobicContact CG-CD1 3.59Å
377	C	89.8	Confident	93.9	Very high	3 Å²	3	24.5 Å²	24.5	2%	0.02	14%	0.143	C	C	.	.			trans	-146.9	131.9	175.7	66.4	0	0	0	0	108.4	G375 N387 E390 C391 Y407	G375-C377 PolarHBondContact O-N 2.85Å; C377-N387 WeakPolarHBondContact CB-O 3.46Å; C377-E390 HydrophobicContact CB-CB 3.99Å; C377-E390 HydrophobicContact CB-CG 4.16Å; C377-C391 HydrophobicContact CB-CB 3.94Å; C377-C391 WeakPolarHBondContact CB-SG 3.36Å; C377-C391 PolarHBondContact O-SG 3.07Å; C377-C391 WeakPolarHBondContact SG-CA 3.32Å; C377-C391 WeakPolarHBondContact SG-CB 3.42Å; C377-C391 PolarHBondContact SG-N 3.05Å; C377-C391 VanDerWaalsContact SG-N 3.37Å; C377-C391 CovalentContact SG-SG 2.05Å; C377-C391 PolarHBondContact SG-SG 3.34Å; C377-Y407 VanDerWaalsContact O-CE2 3.26Å; C377-Y407 WeakPolarHBondContact O-CE2 3.41Å; C377-Y407 PolarHBondContact O-OH 3.22Å
378	L	89.7	Confident	93.7	Very high	33 Å²	33	25.1 Å²	25.1	17%	0.173	15%	0.147	C	C	.	.			trans	-137.5	106.3	172.1	-179.9	65.5	0	0	0	107.7	D380 N387 F427	L378-D380 PolarHBondContact O-N 2.96Å; L378-N387 PolarHBondContact N-OD1 3.25Å; L378-N387 WeakPolarHBondContact O-CB 3.36Å; L378-N387 PolarHBondContact O-ND2 2.64Å; L378-N387 PolarHBondContact O-OD1 3.26Å; L378-F427 HydrophobicContact CD1-CE2 4.17Å
379	P	90	Very high	93.6	Very high	3 Å²	3	25.7 Å²	25.7	2%	0.019	15%	0.151	C	C	.	.			trans	-54.4	126	-172.6	-21.2	28.4	0	0	0	111.2	T388 C391 S423 S426 F427	P379-T388 HydrophobicContact CB-CG2 4.41Å; P379-C391 HydrophobicContact CG-CB 3.86Å; P379-S423 VanDerWaalsContact O-CA 3.26Å; P379-S423 WeakPolarHBondContact O-CA 3.46Å; P379-S423 VanDerWaalsContact O-CB 3.31Å; P379-S423 WeakPolarHBondContact O-CB 3.18Å; P379-S423 PolarHBondContact O-N 3.34Å; P379-S423 PolarHBondContact O-OG 2.79Å; P379-S426 VanDerWaalsContact CG-OG 3.28Å; P379-S426 WeakPolarHBondContact CG-OG 3.22Å; P379-F427 HydrophobicContact CG-CE2 4.39Å
380	D	89.2	Confident	93.5	Very high	55 Å²	55	24.7 Å²	24.7	29%	0.294	15%	0.147	S	C	.	.			trans	-112.5	9.3	-168.1	55.8	13.8	0	0	0	112.6	L378 N382 S385 N387 T388	L378-D380 PolarHBondContact O-N 2.96Å; D380-N382 VanDerWaalsContact C-N 3.26Å; D380-N382 PolarHBondContact O-N 3.14Å; D380-N382 WeakPolarHBondContact OD1-CB 3.24Å; D380-N382 PolarHBondContact OD1-N 3.25Å; D380-N382 VanDerWaalsContact OD1-N 3.13Å; D380-S385 VanDerWaalsContact CG-OG 3.29Å; D380-S385 WeakPolarHBondContact OD1-CB 3.33Å; D380-S385 PolarHBondContact OD1-OG 2.85Å; D380-S385 PolarHBondContact OD2-OG 3.42Å; D380-N387 PolarHBondContact OD2-ND2 3.22Å; D380-T388 PolarHBondContact N-OG1 3.13Å; D380-T388 PolarHBondContact OD1-OG1 3.26Å
381	G	87.3	Confident	93.3	Very high	37 Å²	37	24.7 Å²	24.7	38%	0.381	15%	0.147	S	C	.	.	S	Bend	trans	84.7	-9.2	-178.8	0	0	0	0	0	114.8	P383	G381-P383 WeakPolarHBondContact O-CD 3.47Å
382	N	93	Very high	93.2	Very high	67 Å²	67	25.6 Å²	25.6	36%	0.358	15%	0.152	S	C	.	.			trans	-86.2	113.2	168.2	178.7	4	0	0	0	108.9	D380 D384 S385 T388	D380-N382 VanDerWaalsContact C-N 3.26Å; D380-N382 PolarHBondContact O-N 3.14Å; D380-N382 WeakPolarHBondContact OD1-CB 3.24Å; D380-N382 PolarHBondContact OD1-N 3.25Å; D380-N382 VanDerWaalsContact OD1-N 3.13Å; N382-D384 PolarHBondContact O-N 3.44Å; N382-D384 VanDerWaalsContact O-N 3.14Å; N382-D384 PolarHBondContact OD1-N 3.39Å; N382-D384 VanDerWaalsContact OD1-N 3.09Å; N382-S385 PolarHBondContact O-N 3.26Å; N382-S385 PolarHBondContact O-OG 2.72Å; N382-T388 WeakPolarHBondContact O-CB 3.31Å; N382-T388 PolarHBondContact O-OG1 3.38Å
383	P	93.1	Very high	93.1	Very high	84 Å²	84	26.1 Å²	26.1	55%	0.545	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-18.7	-177.8	27.9	-35.9	0	0	0	113.6	G381 V389	G381-P383 WeakPolarHBondContact O-CD 3.47Å; P383-V389 VanDerWaalsContact O-CG2 3.27Å; P383-V389 WeakPolarHBondContact O-CG2 3.44Å
384	D	95.1	Very high	93.2	Very high	85 Å²	85	26 Å²	26	46%	0.455	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.9	-4.8	-177.3	-59.1	-45.8	0	0	0	113.2	H337 M338 N382	H337-D384 CarbonylContact C-O 3.27Å; H337-D384 WeakPolarHBondContact CA-O 3.41Å; M338-D384 PolarHBondContact N-O 2.78Å; N382-D384 PolarHBondContact O-N 3.44Å; N382-D384 VanDerWaalsContact O-N 3.14Å; N382-D384 PolarHBondContact OD1-N 3.39Å; N382-D384 VanDerWaalsContact OD1-N 3.09Å
385	S	95.7	Very high	93.3	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	16%	0.155	C	C	.	.	B	Isolated β-bridge	trans	-69.3	151.5	178.4	66.3	0	0	0	0	111.7	E336 D380 N382 N387 T388 V389	E336-S385 CarbonylContact O-C 3.55Å; E336-S385 VanDerWaalsContact O-CA 3.3Å; E336-S385 WeakPolarHBondContact O-CA 3.44Å; D380-S385 VanDerWaalsContact CG-OG 3.29Å; D380-S385 WeakPolarHBondContact OD1-CB 3.33Å; D380-S385 PolarHBondContact OD1-OG 2.85Å; D380-S385 PolarHBondContact OD2-OG 3.42Å; N382-S385 PolarHBondContact O-N 3.26Å; N382-S385 PolarHBondContact O-OG 2.72Å; S385-N387 PolarHBondContact O-N 3.44Å; S385-T388 PolarHBondContact O-N 3.46Å; S385-T388 PolarHBondContact OG-N 3Å; S385-T388 VanDerWaalsContact OG-N 3.16Å; S385-T388 PolarHBondContact OG-OG1 2.87Å; S385-V389 WeakPolarHBondContact O-CB 3.26Å; S385-V389 VanDerWaalsContact O-CG2 3.26Å; S385-V389 WeakPolarHBondContact O-CG2 3.31Å; S385-V389 PolarHBondContact O-N 3.28Å
386	I	95.3	Very high	93.6	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.005	17%	0.166	C	C	.	.	H	α-helix	trans	-54.1	-43.4	172.3	-70.1	168.4	0	0	0	110.3	L329 T332 A334 E336 M338 T388 V389 E390	L329-I386 HydrophobicContact CB-CG2 4.21Å; L329-I386 HydrophobicContact CD1-CG2 3.97Å; L329-I386 HydrophobicContact CD2-CG2 4.05Å; L329-I386 HydrophobicContact CG-CG2 4.29Å; T332-I386 HydrophobicContact CG2-CD1 3.5Å; A334-I386 HydrophobicContact CB-CG2 4.35Å; A334-I386 WeakPolarHBondContact O-CB 3.45Å; A334-I386 PolarHBondContact O-N 2.86Å; E336-I386 PolarHBondContact O-N 2.69Å; M338-I386 HydrophobicContact CB-CG1 3.99Å; M338-I386 HydrophobicContact CE-CB 4.33Å; M338-I386 HydrophobicContact CE-CG1 4.23Å; M338-I386 HydrophobicContact CE-CG2 4.09Å; M338-I386 HydrophobicContact SD-CG1 3.88Å; I386-T388 PolarHBondContact O-N 2.69Å; I386-V389 PolarHBondContact O-N 3.22Å; I386-E390 WeakPolarHBondContact O-CB 3.26Å; I386-E390 PolarHBondContact O-N 3.03Å
387	N	93.2	Very high	94.2	Very high	17 Å²	17	23.9 Å²	23.9	9%	0.091	14%	0.143	C	C	.	.	H	α-helix	trans	-46.6	-58.1	173.2	-92.1	-28	0	0	0	112.9	A334 C377 L378 D380 S385 C391	A334-N387 WeakPolarHBondContact CB-OD1 3.25Å; A334-N387 WeakPolarHBondContact O-CB 3.44Å; A334-N387 PolarHBondContact O-N 2.93Å; A334-N387 PolarHBondContact O-ND2 3.28Å; C377-N387 WeakPolarHBondContact CB-O 3.46Å; L378-N387 PolarHBondContact N-OD1 3.25Å; L378-N387 WeakPolarHBondContact O-CB 3.36Å; L378-N387 PolarHBondContact O-ND2 2.64Å; L378-N387 PolarHBondContact O-OD1 3.26Å; D380-N387 PolarHBondContact OD2-ND2 3.22Å; S385-N387 PolarHBondContact O-N 3.44Å; N387-C391 WeakPolarHBondContact O-CB 3.19Å; N387-C391 PolarHBondContact O-N 2.84Å
388	T	94.2	Very high	94.6	Very high	14 Å²	14	23.8 Å²	23.8	9%	0.086	14%	0.143	C	C	.	.	H	α-helix	trans	-76.6	-40.3	-175	-57.8	0	0	0	0	111.7	P379 D380 N382 S385 I386 N392	P379-T388 HydrophobicContact CB-CG2 4.41Å; D380-T388 PolarHBondContact N-OG1 3.13Å; D380-T388 PolarHBondContact OD1-OG1 3.26Å; N382-T388 WeakPolarHBondContact O-CB 3.31Å; N382-T388 PolarHBondContact O-OG1 3.38Å; S385-T388 PolarHBondContact O-N 3.46Å; S385-T388 PolarHBondContact OG-N 3Å; S385-T388 VanDerWaalsContact OG-N 3.16Å; S385-T388 PolarHBondContact OG-OG1 2.87Å; I386-T388 PolarHBondContact O-N 2.69Å; T388-N392 WeakPolarHBondContact CG2-ND2 3.36Å; T388-N392 VanDerWaalsContact O-CB 3.29Å; T388-N392 WeakPolarHBondContact O-CB 3.36Å; T388-N392 PolarHBondContact O-N 3.4Å; T388-N392 VanDerWaalsContact O-N 3.14Å; T388-N392 PolarHBondContact O-ND2 3.44Å; T388-N392 VanDerWaalsContact O-ND2 3.13Å
389	V	96	Very high	95	Very high	13 Å²	13	22.3 Å²	22.3	8%	0.079	14%	0.135	C	C	.	.	H	α-helix	trans	-65.9	-49.6	-177.2	175.3	0	0	0	0	111.3	M338 R343 P383 S385 I386 A393	M338-V389 HydrophobicContact CB-CB 4.09Å; M338-V389 HydrophobicContact CB-CG1 4.23Å; M338-V389 HydrophobicContact CB-CG2 4.08Å; M338-V389 HydrophobicContact CE-CB 4.17Å; M338-V389 HydrophobicContact CE-CG1 3.98Å; M338-V389 HydrophobicContact CG-CB 4.28Å; M338-V389 HydrophobicContact CG-CG1 3.92Å; R343-V389 HydrophobicContact CG-CG1 4.13Å; P383-V389 VanDerWaalsContact O-CG2 3.27Å; P383-V389 WeakPolarHBondContact O-CG2 3.44Å; S385-V389 WeakPolarHBondContact O-CB 3.26Å; S385-V389 VanDerWaalsContact O-CG2 3.26Å; S385-V389 WeakPolarHBondContact O-CG2 3.31Å; S385-V389 PolarHBondContact O-N 3.28Å; I386-V389 PolarHBondContact O-N 3.22Å; V389-A393 VanDerWaalsContact O-CB 3.31Å; V389-A393 WeakPolarHBondContact O-CB 3.32Å; V389-A393 PolarHBondContact O-N 2.96Å
390	E	96	Very high	95.4	Very high	5 Å²	5	28.7 Å²	28.7	2%	0.023	16%	0.159	C	C	.	.	H	α-helix	trans	-65.7	-48.8	-177	-180	65.6	-178.1	0	0	111.3	Y324 L329 M338 C377 I386 N392 A393 V394	Y324-E390 VanDerWaalsContact CE1-OE1 3.29Å; Y324-E390 WeakPolarHBondContact CE1-OE1 3.13Å; L329-E390 HydrophobicContact CD1-CB 3.86Å; L329-E390 VanDerWaalsContact CD1-CD 3.42Å; L329-E390 HydrophobicContact CD1-CG 3.58Å; L329-E390 WeakPolarHBondContact CD1-OE2 3.44Å; M338-E390 HydrophobicContact CE-CB 4.1Å; C377-E390 HydrophobicContact CB-CB 3.99Å; C377-E390 HydrophobicContact CB-CG 4.16Å; I386-E390 WeakPolarHBondContact O-CB 3.26Å; I386-E390 PolarHBondContact O-N 3.03Å; E390-N392 VanDerWaalsContact C-N 3.34Å; E390-N392 PolarHBondContact O-N 3.24Å; E390-A393 WeakPolarHBondContact O-CB 3.48Å; E390-A393 PolarHBondContact O-N 3.47Å; E390-V394 HydrophobicContact CG-CG2 4.49Å; E390-V394 WeakPolarHBondContact O-CG2 3.44Å; E390-V394 PolarHBondContact O-N 2.97Å
391	C	94.7	Very high	95.8	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-60	-44.6	-179.7	-94.3	0	0	0	0	111.9	C377 P379 N387 A393 V394 L395	C377-C391 HydrophobicContact CB-CB 3.94Å; C377-C391 WeakPolarHBondContact CB-SG 3.36Å; C377-C391 PolarHBondContact O-SG 3.07Å; C377-C391 WeakPolarHBondContact SG-CA 3.32Å; C377-C391 WeakPolarHBondContact SG-CB 3.42Å; C377-C391 PolarHBondContact SG-N 3.05Å; C377-C391 VanDerWaalsContact SG-N 3.37Å; C377-C391 CovalentContact SG-SG 2.05Å; C377-C391 PolarHBondContact SG-SG 3.34Å; P379-C391 HydrophobicContact CG-CB 3.86Å; N387-C391 WeakPolarHBondContact O-CB 3.19Å; N387-C391 PolarHBondContact O-N 2.84Å; C391-A393 VanDerWaalsContact C-N 3.33Å; C391-A393 PolarHBondContact O-N 3.15Å; C391-V394 PolarHBondContact O-N 3.34Å; C391-L395 WeakPolarHBondContact O-CB 3.47Å; C391-L395 WeakPolarHBondContact O-CD1 3.44Å; C391-L395 WeakPolarHBondContact O-CG 3.3Å; C391-L395 PolarHBondContact O-N 3.03Å
392	N	96	Very high	96.3	Very high	19 Å²	19	26 Å²	26	10%	0.102	14%	0.135	C	C	.	.	H	α-helix	trans	-66.1	-35.8	175.5	-76.8	-35.6	0	0	0	112.1	T388 E390 N396 S426	T388-N392 WeakPolarHBondContact CG2-ND2 3.36Å; T388-N392 VanDerWaalsContact O-CB 3.29Å; T388-N392 WeakPolarHBondContact O-CB 3.36Å; T388-N392 PolarHBondContact O-N 3.4Å; T388-N392 VanDerWaalsContact O-N 3.14Å; T388-N392 PolarHBondContact O-ND2 3.44Å; T388-N392 VanDerWaalsContact O-ND2 3.13Å; E390-N392 VanDerWaalsContact C-N 3.34Å; E390-N392 PolarHBondContact O-N 3.24Å; N392-N396 WeakPolarHBondContact O-CB 3.17Å; N392-N396 PolarHBondContact O-N 2.61Å; N392-N396 PolarHBondContact O-ND2 2.68Å; N392-S426 WeakPolarHBondContact OD1-CB 3.47Å; N392-S426 PolarHBondContact OD1-OG 3.33Å
393	A	97.2	Very high	96.5	Very high	11 Å²	11	22.9 Å²	22.9	9%	0.091	12%	0.118	C	C	.	.	H	α-helix	trans	-62	-49.5	176.2	0	0	0	0	0	111.5	D347 L351 V389 E390 C391 N396 A397	D347-A393 WeakPolarHBondContact OD1-CB 3.38Å; L351-A393 HydrophobicContact CD2-CB 4.17Å; L351-A393 WeakPolarHBondContact CD2-O 3.36Å; V389-A393 VanDerWaalsContact O-CB 3.31Å; V389-A393 WeakPolarHBondContact O-CB 3.32Å; V389-A393 PolarHBondContact O-N 2.96Å; E390-A393 WeakPolarHBondContact O-CB 3.48Å; E390-A393 PolarHBondContact O-N 3.47Å; C391-A393 VanDerWaalsContact C-N 3.33Å; C391-A393 PolarHBondContact O-N 3.15Å; A393-N396 PolarHBondContact O-N 2.84Å; A393-A397 WeakPolarHBondContact O-CB 3.45Å; A393-A397 PolarHBondContact O-N 3.2Å
394	V	98.1	Very high	96.8	Very high	1 Å²	1	19 Å²	19	1%	0.006	9%	0.093	C	C	.	.	H	α-helix	trans	-62.4	-47.8	178.8	179.8	0	0	0	0	111.2	Y324 L351 L371 F374 E390 C391 A397 A398	Y324-V394 HydrophobicContact CD1-CG1 4.43Å; Y324-V394 HydrophobicContact CD1-CG2 3.74Å; Y324-V394 HydrophobicContact CE1-CG2 3.54Å; L351-V394 HydrophobicContact CD1-CG2 4.1Å; L371-V394 HydrophobicContact CD2-CG1 3.91Å; F374-V394 HydrophobicContact CB-CG1 4.07Å; F374-V394 HydrophobicContact CD1-CG1 4.34Å; F374-V394 HydrophobicContact CD2-CB 4.03Å; F374-V394 HydrophobicContact CD2-CG1 3.57Å; F374-V394 HydrophobicContact CD2-CG2 4.44Å; F374-V394 HydrophobicContact CE2-CB 4.36Å; F374-V394 HydrophobicContact CE2-CG1 4.07Å; F374-V394 HydrophobicContact CG-CG1 3.72Å; E390-V394 HydrophobicContact CG-CG2 4.49Å; E390-V394 WeakPolarHBondContact O-CG2 3.44Å; E390-V394 PolarHBondContact O-N 2.97Å; C391-V394 PolarHBondContact O-N 3.34Å; V394-A397 CarbonylContact O-C 3.59Å; V394-A397 WeakPolarHBondContact O-CB 3.45Å; V394-A397 PolarHBondContact O-N 2.96Å; V394-A397 VanDerWaalsContact O-N 3.12Å; V394-A398 PolarHBondContact O-N 3.1Å
395	L	97.8	Very high	96.9	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-65.7	-40.7	-179.9	-69.2	170.3	0	0	0	112.3	F374 C391 A397 A398 D399 W405 S426 F427	F374-L395 HydrophobicContact CE1-CD2 4.5Å; F374-L395 HydrophobicContact CE2-CD2 4.35Å; F374-L395 HydrophobicContact CE2-CG 4.38Å; F374-L395 HydrophobicContact CZ-CD2 3.72Å; F374-L395 HydrophobicContact CZ-CG 4.23Å; C391-L395 WeakPolarHBondContact O-CB 3.47Å; C391-L395 WeakPolarHBondContact O-CD1 3.44Å; C391-L395 WeakPolarHBondContact O-CG 3.3Å; C391-L395 PolarHBondContact O-N 3.03Å; L395-A397 VanDerWaalsContact C-N 3.28Å; L395-A397 PolarHBondContact O-N 3.36Å; L395-A398 PolarHBondContact O-N 3.17Å; L395-D399 PolarHBondContact O-N 3.23Å; L395-W405 HydrophobicContact CD2-CD2 3.96Å; L395-W405 VanDerWaalsContact CD2-CE2 3.5Å; L395-W405 HydrophobicContact CD2-CE3 4.38Å; L395-W405 HydrophobicContact CD2-CH2 4.01Å; L395-W405 HydrophobicContact CD2-CZ2 3.54Å; L395-W405 HydrophobicContact CD2-CZ3 4.4Å; L395-S426 VanDerWaalsContact CD1-O 3.29Å; L395-S426 WeakPolarHBondContact CD1-O 3.39Å; L395-F427 HydrophobicContact CD1-CD1 3.91Å; L395-F427 HydrophobicContact CD1-CE1 4.19Å
396	N	98	Very high	97	Very high	53 Å²	53	15 Å²	15	28%	0.283	7%	0.072	S	C	.	.	H	α-helix	trans	-64.3	-35	172.8	-72.4	-30.5	0	0	0	111.5	N392 A393 R400 R429	N392-N396 WeakPolarHBondContact O-CB 3.17Å; N392-N396 PolarHBondContact O-N 2.61Å; N392-N396 PolarHBondContact O-ND2 2.68Å; A393-N396 PolarHBondContact O-N 2.84Å; N396-R400 VanDerWaalsContact O-CG 3.29Å; N396-R400 WeakPolarHBondContact O-CG 3.33Å; N396-R400 PolarHBondContact O-N 2.96Å; N396-R400 VanDerWaalsContact O-N 3.08Å; N396-R400 PolarHBondContact O-NH1 2.99Å; N396-R400 VanDerWaalsContact O-NH1 3.1Å; N396-R429 PolarHBondContact OD1-NH2 3.04Å
397	A	98.2	Very high	97	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-68.7	-40.7	174.5	0	0	0	0	0	111.4	L351 F355 A393 V394 L395 R400 N401	L351-A397 HydrophobicContact CD1-CB 4.12Å; L351-A397 HydrophobicContact CD2-CB 3.63Å; L351-A397 HydrophobicContact CG-CB 3.8Å; F355-A397 HydrophobicContact CD2-CB 4.19Å; F355-A397 HydrophobicContact CE2-CB 3.92Å; F355-A397 HydrophobicContact CZ-CB 4.18Å; A393-A397 WeakPolarHBondContact O-CB 3.45Å; A393-A397 PolarHBondContact O-N 3.2Å; V394-A397 CarbonylContact O-C 3.59Å; V394-A397 WeakPolarHBondContact O-CB 3.45Å; V394-A397 PolarHBondContact O-N 2.96Å; V394-A397 VanDerWaalsContact O-N 3.12Å; L395-A397 VanDerWaalsContact C-N 3.28Å; L395-A397 PolarHBondContact O-N 3.36Å; A397-R400 PolarHBondContact O-N 3.47Å; A397-N401 WeakPolarHBondContact O-CB 3.12Å; A397-N401 PolarHBondContact O-N 3.18Å; A397-N401 PolarHBondContact O-ND2 3.2Å
398	A	98.5	Very high	97	Very high	1 Å²	1	16.3 Å²	16.3	1%	0.008	8%	0.076	C	C	.	.	H	α-helix	trans	-58.5	-48	174.1	0	0	0	0	0	111.4	F355 V394 L395 R400 N401 F402 E403	F355-A398 HydrophobicContact CE1-CB 4.42Å; F355-A398 HydrophobicContact CZ-CB 4.27Å; V394-A398 PolarHBondContact O-N 3.1Å; L395-A398 PolarHBondContact O-N 3.17Å; A398-R400 PolarHBondContact O-N 2.88Å; A398-N401 CarbonylContact O-C 3.22Å; A398-N401 PolarHBondContact O-N 3.11Å; A398-N401 VanDerWaalsContact O-N 3.11Å; A398-F402 PolarHBondContact O-N 2.92Å; A398-E403 HydrophobicContact CB-CB 4.25Å; A398-E403 PolarHBondContact O-N 3.01Å
399	D	98.4	Very high	96.1	Very high	3 Å²	3	17.5 Å²	17.5	2%	0.016	8%	0.081	C	C	.	.	H	α-helix	trans	-56.3	-52.2	174.7	-73.7	-15.8	0	0	0	111.8	L395 N401 F402 R429 L442	L395-D399 PolarHBondContact O-N 3.23Å; D399-N401 PolarHBondContact O-N 3.36Å; D399-N401 VanDerWaalsContact O-N 3.12Å; D399-F402 PolarHBondContact O-N 3.29Å; D399-R429 IonicContact OD1-NE 3.68Å; D399-R429 IonicContact OD2-CZ 3.73Å; D399-R429 VanDerWaalsContact OD2-CZ 3.24Å; D399-R429 IonicContact OD2-NE 3.28Å; D399-R429 PolarHBondContact OD2-NE 3.26Å; D399-R429 IonicContact OD2-NH2 3.23Å; D399-R429 PolarHBondContact OD2-NH2 3.33Å; D399-L442 HydrophobicContact CB-CD2 4.24Å; D399-L442 HydrophobicContact CB-CG 4.08Å
400	R	97.6	Very high	94.4	Very high	136 Å²	136	16.9 Å²	16.9	51%	0.513	8%	0.077	S	C	.	.	H	α-helix	trans	-58.9	-27.8	179	-74.7	-169.3	-49	-86.5	9.5	113.1	N352 N396 A397 A398	N352-R400 PolarHBondContact OD1-NH2 3.12Å; N396-R400 VanDerWaalsContact O-CG 3.29Å; N396-R400 WeakPolarHBondContact O-CG 3.33Å; N396-R400 PolarHBondContact O-N 2.96Å; N396-R400 VanDerWaalsContact O-N 3.08Å; N396-R400 PolarHBondContact O-NH1 2.99Å; N396-R400 VanDerWaalsContact O-NH1 3.1Å; A397-R400 PolarHBondContact O-N 3.47Å; A398-R400 PolarHBondContact O-N 2.88Å
401	N	97.4	Very high	92.9	Very high	18 Å²	18	21 Å²	21	10%	0.096	9%	0.093	C	C	.	.	H	α-helix	trans	-98.5	-2.7	-178.4	-75.8	-88.1	0	0	0	113.1	F355 R359 R369 A397 A398 D399 E403	F355-N401 HydrophobicContact CD1-CB 3.49Å; F355-N401 VanDerWaalsContact CD1-CB 3.49Å; F355-N401 WeakPolarHBondContact CD1-ND2 3.48Å; F355-N401 HydrophobicContact CE1-CB 3.94Å; F355-N401 HydrophobicContact CG-CB 4.45Å; R359-N401 PolarHBondContact NH2-OD1 3.28Å; R369-N401 PolarHBondContact NH2-O 2.72Å; A397-N401 WeakPolarHBondContact O-CB 3.12Å; A397-N401 PolarHBondContact O-N 3.18Å; A397-N401 PolarHBondContact O-ND2 3.2Å; A398-N401 CarbonylContact O-C 3.22Å; A398-N401 PolarHBondContact O-N 3.11Å; A398-N401 VanDerWaalsContact O-N 3.11Å; D399-N401 PolarHBondContact O-N 3.36Å; D399-N401 VanDerWaalsContact O-N 3.12Å; N401-E403 HydrophobicContact CB-CB 4.26Å; N401-E403 PolarHBondContact O-N 2.74Å
402	F	97.6	Very high	91.1	Very high	18 Å²	18	25.2 Å²	25.2	8%	0.079	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.6	49.4	-170	-154.6	-93.5	0	0	0	111.2	Y54 I62 L64 A398 D399 P432 P439 L442 Y453	Y54-F402 AromaticContact CD1-CD1 3.98Å; Y54-F402 HydrophobicContact CD1-CD1 3.98Å; Y54-F402 HydrophobicContact CD1-CE1 4.47Å; Y54-F402 HydrophobicContact CE1-CB 4.3Å; Y54-F402 AromaticContact CE1-CD1 3.68Å; Y54-F402 HydrophobicContact CE1-CD1 3.68Å; Y54-F402 HydrophobicContact CE1-CG 4.35Å; I62-F402 HydrophobicContact CG2-CE1 3.57Å; I62-F402 HydrophobicContact CG2-CZ 4.08Å; L64-F402 HydrophobicContact CB-CE1 4.09Å; L64-F402 HydrophobicContact CB-CZ 4Å; L64-F402 HydrophobicContact CD1-CD1 4.04Å; L64-F402 HydrophobicContact CD1-CE1 4.1Å; L64-F402 HydrophobicContact CD1-CG 4.4Å; L64-F402 HydrophobicContact CD2-CD2 4.25Å; L64-F402 HydrophobicContact CD2-CE2 4.02Å; L64-F402 HydrophobicContact CD2-CZ 4.17Å; L64-F402 HydrophobicContact CG-CE1 4.48Å; L64-F402 HydrophobicContact CG-CZ 4.48Å; A398-F402 PolarHBondContact O-N 2.92Å; D399-F402 PolarHBondContact O-N 3.29Å; F402-P432 HydrophobicContact CE2-CG 3.85Å; F402-P432 HydrophobicContact CZ-CG 4.32Å; F402-P439 HydrophobicContact CD1-CB 4.28Å; F402-P439 HydrophobicContact CD1-CG 3.82Å; F402-P439 HydrophobicContact CD2-CB 3.63Å; F402-P439 HydrophobicContact CD2-CG 3.91Å; F402-P439 HydrophobicContact CE1-CB 4.34Å; F402-P439 HydrophobicContact CE1-CG 3.54Å; F402-P439 HydrophobicContact CE2-CB 3.68Å; F402-P439 HydrophobicContact CE2-CG 3.62Å; F402-P439 HydrophobicContact CG-CB 3.93Å; F402-P439 HydrophobicContact CG-CG 4Å; F402-P439 HydrophobicContact CZ-CB 4.05Å; F402-P439 HydrophobicContact CZ-CG 3.42Å; F402-P439 VanDerWaalsContact CZ-CG 3.42Å; F402-L442 HydrophobicContact CD2-CB 4.29Å; F402-L442 HydrophobicContact CD2-CD2 3.98Å; F402-L442 HydrophobicContact CE2-CD2 4.27Å; F402-Y453 HydrophobicContact CD2-CE2 4.43Å; F402-Y453 AromaticContact CE2-CE2 3.81Å; F402-Y453 HydrophobicContact CE2-CE2 3.81Å
403	E	98.3	Very high	89.3	Confident	1 Å²	1	24.9 Å²	24.9	1%	0.005	11%	0.111	C	C	.	.			trans	-101.9	130.9	-174.4	-172	71.3	-134.8	0	0	110.6	Y322 F355 R369 F370 L371 A398 N401	Y322-E403 VanDerWaalsContact OH-CD 3.26Å; Y322-E403 WeakPolarHBondContact OH-CG 3.43Å; Y322-E403 PolarHBondContact OH-OE2 3.21Å; F355-E403 HydrophobicContact CD1-CB 4.34Å; F355-E403 HydrophobicContact CD1-CG 4.41Å; F355-E403 HydrophobicContact CE1-CB 3.62Å; F355-E403 HydrophobicContact CE1-CG 3.68Å; F355-E403 HydrophobicContact CZ-CG 4.48Å; R369-E403 WeakPolarHBondContact CD-OE2 3.41Å; R369-E403 WeakPolarHBondContact CG-OE1 3.44Å; R369-E403 WeakPolarHBondContact CG-OE2 3.44Å; R369-E403 IonicContact CZ-OE2 3.46Å; R369-E403 IonicContact NE-OE2 2.59Å; R369-E403 PolarHBondContact NE-OE2 3.39Å; R369-E403 IonicContact NH1-OE2 2.97Å; R369-E403 PolarHBondContact NH1-OE2 3.43Å; R369-E403 IonicContact NH2-OE2 3.82Å; F370-E403 VanDerWaalsContact CA-OE1 3.27Å; F370-E403 WeakPolarHBondContact CA-OE1 3.38Å; F370-E403 PolarHBondContact N-OE1 3.21Å; L371-E403 HydrophobicContact CB-CG 4.05Å; L371-E403 PolarHBondContact N-OE1 3.23Å; A398-E403 HydrophobicContact CB-CB 4.25Å; A398-E403 PolarHBondContact O-N 3.01Å; N401-E403 HydrophobicContact CB-CB 4.26Å; N401-E403 PolarHBondContact O-N 2.74Å
404	S	98.8	Very high	87.5	Confident	3 Å²	3	24.7 Å²	24.7	2%	0.021	11%	0.109	C	C	.	.			trans	-75.5	145.2	170.6	-63.8	0	0	0	0	110.5	F65 F370 L371	F65-S404 PolarHBondContact N-OG 2.9Å; F65-S404 CarbonylContact O-C 3.54Å; F65-S404 WeakPolarHBondContact O-CA 3.35Å; F65-S404 VanDerWaalsContact O-CB 3.22Å; F65-S404 WeakPolarHBondContact O-CB 3.35Å; F370-S404 VanDerWaalsContact CD2-CB 3.49Å; F370-S404 VanDerWaalsContact CE2-CB 3.41Å; L371-S404 PolarHBondContact N-O 3.48Å
405	W	98.5	Very high	85.7	Confident	1 Å²	1	28.6 Å²	28.6	0%	0.004	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	152.9	-175.2	55.9	-96	0	0	0	114.3	F65 H66 G67 F370 L371 F374 L395 F427	F65-W405 PolarHBondContact O-N 3.24Å; H66-W405 CarbonylContact C-O 3.5Å; H66-W405 HydrophobicContact CB-CD2 4.34Å; H66-W405 HydrophobicContact CB-CH2 3.88Å; H66-W405 HydrophobicContact CB-CZ2 3.51Å; H66-W405 HydrophobicContact CB-CZ3 4.42Å; H66-W405 AromaticContact CD2-CD1 3.51Å; H66-W405 AromaticContact CD2-CE2 3.48Å; H66-W405 VanDerWaalsContact CD2-CE2 3.48Å; H66-W405 AromaticContact CD2-CZ2 3.97Å; H66-W405 AromaticContact CD2-NE1 2.97Å; H66-W405 PolarHBondContact CD2-NE1 2.91Å; H66-W405 AromaticContact CE1-NE1 3.57Å; H66-W405 AromaticContact CG-CE2 3.44Å; H66-W405 VanDerWaalsContact CG-CE2 3.44Å; H66-W405 AromaticContact CG-CZ2 3.43Å; H66-W405 VanDerWaalsContact CG-CZ2 3.43Å; H66-W405 AromaticContact CG-NE1 3.42Å; H66-W405 AromaticContact ND1-CE2 3.86Å; H66-W405 AromaticContact ND1-CZ2 3.58Å; H66-W405 AromaticContact ND1-NE1 3.75Å; H66-W405 AromaticContact NE2-CD1 3.77Å; H66-W405 AromaticContact NE2-CE2 3.94Å; H66-W405 AromaticContact NE2-NE1 3.1Å; H66-W405 PolarHBondContact NE2-NE1 3.42Å; H66-W405 VanDerWaalsContact NE2-NE1 3.1Å; G67-W405 PolarHBondContact N-O 3.15Å; G67-W405 WeakPolarHBondContact O-CZ3 3.46Å; F370-W405 VanDerWaalsContact CE1-C 3.49Å; L371-W405 HydrophobicContact CB-CB 4.03Å; L371-W405 HydrophobicContact CD2-CB 4.12Å; L371-W405 HydrophobicContact CG-CB 4.25Å; L371-W405 CarbonylContact O-C 3.51Å; L371-W405 WeakPolarHBondContact O-CA 3.37Å; F374-W405 HydrophobicContact CD1-CB 4.42Å; F374-W405 HydrophobicContact CE1-CB 4.03Å; F374-W405 AromaticContact CE1-CD2 3.99Å; F374-W405 HydrophobicContact CE1-CD2 3.99Å; F374-W405 AromaticContact CE1-CE3 3.65Å; F374-W405 HydrophobicContact CE1-CE3 3.65Å; F374-W405 HydrophobicContact CE1-CG 4.19Å; F374-W405 HydrophobicContact CE1-CZ3 4.44Å; F374-W405 HydrophobicContact CZ-CD2 4.42Å; F374-W405 HydrophobicContact CZ-CE3 4.05Å; F374-W405 HydrophobicContact CZ-CZ3 4.46Å; L395-W405 HydrophobicContact CD2-CD2 3.96Å; L395-W405 VanDerWaalsContact CD2-CE2 3.5Å; L395-W405 HydrophobicContact CD2-CE3 4.38Å; L395-W405 HydrophobicContact CD2-CH2 4.01Å; L395-W405 HydrophobicContact CD2-CZ2 3.54Å; L395-W405 HydrophobicContact CD2-CZ3 4.4Å; W405-F427 HydrophobicContact CH2-CB 4.43Å; W405-F427 HydrophobicContact CH2-CD1 4.24Å; W405-F427 HydrophobicContact CZ3-CD1 4.32Å
406	T	97.5	Very high	83.4	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	124.3	166.7	37.6	0	0	0	0	110.3	G67 N69 V98 R100 F370 L371 T372 E373	G67-T406 WeakPolarHBondContact O-CA 3.46Å; N69-T406 PolarHBondContact ND2-O 3.05Å; V98-T406 HydrophobicContact CG1-CG2 3.86Å; R100-T406 HydrophobicContact CB-CG2 4.18Å; F370-T406 HydrophobicContact CE1-CG2 3.94Å; F370-T406 HydrophobicContact CZ-CG2 4.1Å; L371-T406 PolarHBondContact O-N 3.48Å; T372-T406 CarbonylContact C-O 3.52Å; T372-T406 VanDerWaalsContact CA-OG1 3.25Å; T372-T406 WeakPolarHBondContact CA-OG1 3.33Å; T372-T406 PolarHBondContact O-OG1 2.91Å; E373-T406 WeakPolarHBondContact CA-O 3.34Å
407	Y	95.2	Very high	81.2	Confident	1 Å²	1	31.8 Å²	31.8	0%	0.004	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	140.5	-179.4	171.8	-100	0	0	0	112	G67 N69 F374 C377 E412 L413 F427	G67-Y407 PolarHBondContact O-N 3.17Å; N69-Y407 PolarHBondContact N-O 2.82Å; N69-Y407 PolarHBondContact ND2-O 2.81Å; N69-Y407 VanDerWaalsContact ND2-O 3.08Å; F374-Y407 HydrophobicContact CD2-CD2 4.19Å; F374-Y407 HydrophobicContact CE1-CD2 4.42Å; F374-Y407 AromaticContact CE2-CD2 3.7Å; F374-Y407 HydrophobicContact CE2-CD2 3.7Å; F374-Y407 HydrophobicContact CE2-CE2 4.49Å; F374-Y407 AromaticContact CZ-CD2 3.83Å; F374-Y407 HydrophobicContact CZ-CD2 3.83Å; F374-Y407 HydrophobicContact CZ-CG 4.35Å; F374-Y407 WeakPolarHBondContact O-CD2 3.48Å; C377-Y407 VanDerWaalsContact O-CE2 3.26Å; C377-Y407 WeakPolarHBondContact O-CE2 3.41Å; C377-Y407 PolarHBondContact O-OH 3.22Å; Y407-E412 PolarHBondContact OH-OE2 3.43Å; Y407-L413 HydrophobicContact CD1-CD1 3.75Å; Y407-L413 HydrophobicContact CD1-CG 4.35Å; Y407-L413 HydrophobicContact CE1-CD1 4.24Å; Y407-L413 HydrophobicContact CE1-CG 4.35Å; Y407-F427 HydrophobicContact CD1-CE1 4.35Å; Y407-F427 HydrophobicContact CD1-CZ 4.25Å; Y407-F427 AromaticContact CD2-CE1 3.45Å; Y407-F427 HydrophobicContact CD2-CE1 3.45Å; Y407-F427 VanDerWaalsContact CD2-CE1 3.45Å; Y407-F427 AromaticContact CD2-CZ 3.63Å; Y407-F427 HydrophobicContact CD2-CZ 3.63Å; Y407-F427 HydrophobicContact CE1-CZ 4.25Å; Y407-F427 AromaticContact CE2-CE1 3.92Å; Y407-F427 HydrophobicContact CE2-CE1 3.92Å; Y407-F427 AromaticContact CE2-CZ 3.59Å; Y407-F427 HydrophobicContact CE2-CZ 3.59Å; Y407-F427 AromaticContact CG-CE1 3.69Å; Y407-F427 HydrophobicContact CG-CE1 3.69Å; Y407-F427 AromaticContact CG-CZ 3.96Å; Y407-F427 HydrophobicContact CG-CZ 3.96Å; Y407-F427 AromaticContact CZ-CZ 3.94Å
408	W	92.7	Very high	79	Confident	45 Å²	45	36.8 Å²	36.8	17%	0.17	18%	0.178	C	C	.	.	S	Bend	trans	-100.9	120.3	173.7	-175.8	-89.4	0	0	0	111	N69 V71 H142 Y325 E373 F374	N69-W408 HydrophobicContact CB-CE3 3.67Å; N69-W408 HydrophobicContact CB-CZ3 4.04Å; V71-W408 HydrophobicContact CB-CH2 3.94Å; V71-W408 HydrophobicContact CB-CZ3 4.13Å; V71-W408 HydrophobicContact CG1-CH2 4.16Å; V71-W408 HydrophobicContact CG2-CH2 4.02Å; V71-W408 HydrophobicContact CG2-CZ3 3.7Å; H142-W408 AromaticContact CE1-CH2 3.47Å; H142-W408 VanDerWaalsContact CE1-CH2 3.47Å; H142-W408 WeakPolarHBondContact CE1-CH2 3.37Å; H142-W408 AromaticContact CE1-CZ3 3.32Å; H142-W408 WeakPolarHBondContact CE1-CZ3 3.42Å; H142-W408 AromaticContact NE2-CH2 3.33Å; H142-W408 VanDerWaalsContact NE2-CH2 3.33Å; H142-W408 WeakPolarHBondContact NE2-CH2 3.35Å; H142-W408 AromaticContact NE2-CZ3 3.73Å; Y325-W408 VanDerWaalsContact OH-CB 3.31Å; Y325-W408 WeakPolarHBondContact OH-CB 3.49Å; E373-W408 HydrophobicContact CB-CB 4.35Å; E373-W408 HydrophobicContact CG-CE3 4.1Å; F374-W408 PolarHBondContact O-N 2.98Å
409	D	74.7	Confident	76.9	Confident	38 Å²	38	41 Å²	41	20%	0.203	20%	0.204	C	C	.	.			cis	-120.4	153.7	-7.2	83.3	19.6	0	0	0	112.4	Y411 E412	D409-Y411 PolarHBondContact O-N 3.12Å; D409-Y411 VanDerWaalsContact O-N 3.17Å; D409-Y411 WeakPolarHBondContact OD1-CA 3.5Å; D409-Y411 WeakPolarHBondContact OD1-CB 3.42Å; D409-Y411 PolarHBondContact OD1-N 3.45Å; D409-E412 PolarHBondContact O-N 3.5Å; D409-E412 PolarHBondContact OD1-N 2.76Å
410	G	61.6	Low	74.9	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-65.5	-13.7	179.9	0	0	0	0	0	113.3	N69 L413 F414	N69-G410 WeakPolarHBondContact O-CA 3.39Å; N69-G410 PolarHBondContact O-N 3.38Å; G410-L413 CarbonylContact O-C 3.54Å; G410-L413 WeakPolarHBondContact O-CB 3.19Å; G410-L413 PolarHBondContact O-N 3.13Å; G410-L413 VanDerWaalsContact O-N 3.12Å; G410-F414 WeakPolarHBondContact O-CB 3.21Å; G410-F414 WeakPolarHBondContact O-CD2 3.42Å; G410-F414 WeakPolarHBondContact O-CG 2.92Å; G410-F414 PolarHBondContact O-N 3.33Å
411	Y	63.3	Low	73.3	Confident	91 Å²	91	44.9 Å²	44.9	36%	0.357	23%	0.229	S	C	.	.	H	α-helix	trans	-68.4	-37.1	179.7	-118.4	-90.3	0	0	0	111.5	L72 P79 D409 L413 F414 S415	L72-Y411 HydrophobicContact CB-CE2 4.18Å; L72-Y411 HydrophobicContact CD1-CE2 3.71Å; L72-Y411 WeakPolarHBondContact CD1-OH 3.4Å; L72-Y411 HydrophobicContact CD2-CE2 4.47Å; L72-Y411 WeakPolarHBondContact CD2-OH 3.32Å; L72-Y411 HydrophobicContact CG-CE2 4.31Å; P79-Y411 HydrophobicContact CB-CE2 4.17Å; P79-Y411 HydrophobicContact CG-CE2 4.2Å; D409-Y411 PolarHBondContact O-N 3.12Å; D409-Y411 VanDerWaalsContact O-N 3.17Å; D409-Y411 WeakPolarHBondContact OD1-CA 3.5Å; D409-Y411 WeakPolarHBondContact OD1-CB 3.42Å; D409-Y411 PolarHBondContact OD1-N 3.45Å; Y411-L413 VanDerWaalsContact C-N 3.26Å; Y411-L413 PolarHBondContact O-N 2.91Å; Y411-F414 PolarHBondContact O-N 2.9Å; Y411-S415 WeakPolarHBondContact O-CB 3.39Å; Y411-S415 PolarHBondContact O-N 3.01Å; Y411-S415 PolarHBondContact O-OG 2.98Å; Y411-S415 VanDerWaalsContact O-OG 3.08Å
412	E	57.6	Low	72.2	Confident	89 Å²	89	48.4 Å²	48.4	42%	0.416	25%	0.247	S	C	.	.	H	α-helix	trans	-63.5	-31.9	169.7	-65.4	-170.5	162.6	0	0	112.6	Y407 D409 S415 N416	Y407-E412 PolarHBondContact OH-OE2 3.43Å; D409-E412 PolarHBondContact O-N 3.5Å; D409-E412 PolarHBondContact OD1-N 2.76Å; E412-S415 PolarHBondContact O-OG 3.06Å; E412-S415 VanDerWaalsContact O-OG 3.06Å; E412-N416 PolarHBondContact O-ND2 2.83Å
413	L	57.4	Low	71.3	Confident	12 Å²	12	47.9 Å²	47.9	6%	0.063	25%	0.245	C	C	.	.	H	α-helix	trans	-77.7	-40.5	175.3	-66.9	171	0	0	0	111.4	I68 Y407 G410 Y411 S415 N416 L417 F427	I68-L413 HydrophobicContact CB-CD1 4.41Å; I68-L413 HydrophobicContact CG2-CD1 3.4Å; I68-L413 VanDerWaalsContact CG2-CD1 3.4Å; Y407-L413 HydrophobicContact CD1-CD1 3.75Å; Y407-L413 HydrophobicContact CD1-CG 4.35Å; Y407-L413 HydrophobicContact CE1-CD1 4.24Å; Y407-L413 HydrophobicContact CE1-CG 4.35Å; G410-L413 CarbonylContact O-C 3.54Å; G410-L413 WeakPolarHBondContact O-CB 3.19Å; G410-L413 PolarHBondContact O-N 3.13Å; G410-L413 VanDerWaalsContact O-N 3.12Å; Y411-L413 VanDerWaalsContact C-N 3.26Å; Y411-L413 PolarHBondContact O-N 2.91Å; L413-S415 PolarHBondContact O-N 3.17Å; L413-N416 CarbonylContact O-C 3.31Å; L413-N416 VanDerWaalsContact O-C 3.31Å; L413-N416 PolarHBondContact O-N 3.19Å; L413-N416 VanDerWaalsContact O-N 3.13Å; L413-L417 VanDerWaalsContact O-CD2 3.31Å; L413-L417 WeakPolarHBondContact O-CD2 3.49Å; L413-L417 WeakPolarHBondContact O-CG 3.31Å; L413-L417 PolarHBondContact O-N 3.34Å; L413-F427 HydrophobicContact CD2-CD2 4.32Å; L413-F427 HydrophobicContact CD2-CE2 4.36Å
414	F	61.1	Low	70.7	Confident	8 Å²	8	48.2 Å²	48.2	4%	0.035	25%	0.247	C	C	.	.	H	α-helix	trans	-69.2	-32.1	179.7	-75.2	-59.6	0	0	0	113.4	I68 C70 K81 L82 T87 L91 G410 Y411 L417	I68-F414 HydrophobicContact CD1-CE1 4.49Å; I68-F414 HydrophobicContact CD1-CE2 3.76Å; I68-F414 HydrophobicContact CD1-CZ 3.61Å; C70-F414 VanDerWaalsContact SG-CE2 3.53Å; K81-F414 HydrophobicContact CD-CB 4.37Å; K81-F414 HydrophobicContact CD-CD1 4.41Å; K81-F414 PolarHBondContact NZ-O 3.47Å; L82-F414 HydrophobicContact CD2-CE1 4.24Å; L82-F414 HydrophobicContact CD2-CZ 3.78Å; T87-F414 HydrophobicContact CG2-CD1 4.4Å; T87-F414 HydrophobicContact CG2-CE1 3.65Å; T87-F414 HydrophobicContact CG2-CZ 4.5Å; L91-F414 HydrophobicContact CD1-CE1 4.25Å; L91-F414 HydrophobicContact CD1-CZ 4.16Å; L91-F414 HydrophobicContact CD2-CE1 4.26Å; L91-F414 HydrophobicContact CD2-CZ 4.47Å; G410-F414 WeakPolarHBondContact O-CB 3.21Å; G410-F414 WeakPolarHBondContact O-CD2 3.42Å; G410-F414 WeakPolarHBondContact O-CG 2.92Å; G410-F414 PolarHBondContact O-N 3.33Å; Y411-F414 PolarHBondContact O-N 2.9Å; F414-L417 HydrophobicContact CD1-CD1 3.71Å; F414-L417 HydrophobicContact CD1-CD2 3.95Å; F414-L417 HydrophobicContact CD1-CG 4.2Å; F414-L417 WeakPolarHBondContact O-CG 3.49Å
415	S	58.3	Low	70.3	Confident	83 Å²	83	51.4 Å²	51.4	58%	0.58	26%	0.26	S	S	*	.	H	α-helix	trans	-69.2	-25.1	173	58	0	0	0	0	111.7	Y411 E412 L413	Y411-S415 WeakPolarHBondContact O-CB 3.39Å; Y411-S415 PolarHBondContact O-N 3.01Å; Y411-S415 PolarHBondContact O-OG 2.98Å; Y411-S415 VanDerWaalsContact O-OG 3.08Å; E412-S415 PolarHBondContact O-OG 3.06Å; E412-S415 VanDerWaalsContact O-OG 3.06Å; L413-S415 PolarHBondContact O-N 3.17Å
416	N	49.7	Very low	70	Confident	66 Å²	66	51.6 Å²	51.6	35%	0.353	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.4	31.4	-175.2	-60.1	-49.1	0	0	0	114.4	E412 L413 I418 N421	E412-N416 PolarHBondContact O-ND2 2.83Å; L413-N416 CarbonylContact O-C 3.31Å; L413-N416 VanDerWaalsContact O-C 3.31Å; L413-N416 PolarHBondContact O-N 3.19Å; L413-N416 VanDerWaalsContact O-N 3.13Å; N416-I418 PolarHBondContact O-N 3.06Å; N416-N421 VanDerWaalsContact CB-ND2 3.27Å; N416-N421 WeakPolarHBondContact CB-ND2 3.49Å
417	L	51.9	Low	69.8	Low	53 Å²	53	52 Å²	52	28%	0.277	26%	0.264	S	S	.	.			trans	-68.5	48.5	178.4	-56.1	170	0	0	0	114.6	W94 L413 F414	W94-L417 HydrophobicContact CE3-CD2 4.31Å; W94-L417 HydrophobicContact CH2-CB 3.98Å; W94-L417 HydrophobicContact CH2-CD2 3.05Å; W94-L417 HydrophobicContact CH2-CG 4.04Å; W94-L417 HydrophobicContact CZ2-CB 4.26Å; W94-L417 HydrophobicContact CZ2-CD2 3.95Å; W94-L417 HydrophobicContact CZ3-CD2 3.22Å; L413-L417 VanDerWaalsContact O-CD2 3.31Å; L413-L417 WeakPolarHBondContact O-CD2 3.49Å; L413-L417 WeakPolarHBondContact O-CG 3.31Å; L413-L417 PolarHBondContact O-N 3.34Å; F414-L417 HydrophobicContact CD1-CD1 3.71Å; F414-L417 HydrophobicContact CD1-CD2 3.95Å; F414-L417 HydrophobicContact CD1-CG 4.2Å; F414-L417 WeakPolarHBondContact O-CG 3.49Å
418	I	53.6	Low	69.7	Low	106 Å²	106	52 Å²	52	54%	0.544	26%	0.264	S	S	.	.			trans	-107	127.7	169.2	-50.7	-179.9	0	0	0	106	N416 E420 N421	N416-I418 PolarHBondContact O-N 3.06Å; I418-E420 HydrophobicContact CG2-CB 3.81Å; I418-E420 HydrophobicContact CG2-CG 3.99Å; I418-E420 PolarHBondContact O-N 2.74Å; I418-N421 VanDerWaalsContact O-CB 3.23Å; I418-N421 WeakPolarHBondContact O-CB 3.43Å; I418-N421 PolarHBondContact O-N 3.08Å
419	V	54.1	Low	69.9	Low	89 Å²	89	49.9 Å²	49.9	54%	0.539	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-24.4	176.9	177.2	0	0	0	0	111.8	N421	V419-N421 PolarHBondContact O-N 3.02Å
420	E	55.4	Low	71	Confident	182 Å²	182	48.1 Å²	48.1	85%	0.85	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-1.8	175.7	-58	-179.4	176.2	0	0	113.8	I418 I422	I418-E420 HydrophobicContact CG2-CB 3.81Å; I418-E420 HydrophobicContact CG2-CG 3.99Å; I418-E420 PolarHBondContact O-N 2.74Å; E420-I422 PolarHBondContact O-N 2.81Å
421	N	65.5	Low	72.7	Confident	38 Å²	38	48.2 Å²	48.2	20%	0.203	25%	0.247	C	C	.	.			trans	-75.5	117.6	-180	-170	-3.2	0	0	0	111.7	N416 I418 V419 S423 L424	N416-N421 VanDerWaalsContact CB-ND2 3.27Å; N416-N421 WeakPolarHBondContact CB-ND2 3.49Å; I418-N421 VanDerWaalsContact O-CB 3.23Å; I418-N421 WeakPolarHBondContact O-CB 3.43Å; I418-N421 PolarHBondContact O-N 3.08Å; V419-N421 PolarHBondContact O-N 3.02Å; N421-S423 PolarHBondContact O-N 3.11Å; N421-S423 VanDerWaalsContact O-N 3.13Å; N421-S423 PolarHBondContact OD1-N 2.63Å; N421-S423 PolarHBondContact OD1-OG 3.35Å; N421-S423 VanDerWaalsContact OD1-OG 3.07Å; N421-L424 WeakPolarHBondContact O-CB 3.33Å; N421-L424 PolarHBondContact O-N 2.83Å
422	I	72.8	Confident	74.4	Confident	93 Å²	93	43.9 Å²	43.9	48%	0.477	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-27.1	176.3	-163.4	141	0	0	0	113.2	E420 L424 K425	E420-I422 PolarHBondContact O-N 2.81Å; I422-L424 VanDerWaalsContact C-N 3.31Å; I422-L424 PolarHBondContact O-N 2.87Å; I422-K425 WeakPolarHBondContact O-CB 3.32Å; I422-K425 PolarHBondContact O-N 3.23Å
423	S	80	Confident	76.3	Confident	6 Å²	6	40.9 Å²	40.9	4%	0.042	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-36.4	176.2	-47	0	0	0	0	112.8	P379 N421 K425 S426 F427	P379-S423 VanDerWaalsContact O-CA 3.26Å; P379-S423 WeakPolarHBondContact O-CA 3.46Å; P379-S423 VanDerWaalsContact O-CB 3.31Å; P379-S423 WeakPolarHBondContact O-CB 3.18Å; P379-S423 PolarHBondContact O-N 3.34Å; P379-S423 PolarHBondContact O-OG 2.79Å; N421-S423 PolarHBondContact O-N 3.11Å; N421-S423 VanDerWaalsContact O-N 3.13Å; N421-S423 PolarHBondContact OD1-N 2.63Å; N421-S423 PolarHBondContact OD1-OG 3.35Å; N421-S423 VanDerWaalsContact OD1-OG 3.07Å; S423-K425 PolarHBondContact O-N 3.22Å; S423-S426 PolarHBondContact O-N 3.24Å; S423-F427 VanDerWaalsContact O-CD2 3.29Å; S423-F427 WeakPolarHBondContact O-CD2 3.18Å
424	L	86.1	Confident	78.2	Confident	8 Å²	8	40.3 Å²	40.3	4%	0.042	21%	0.213	C	C	.	.	H	α-helix	trans	-63.4	-29.3	-175.2	-176.4	62.9	0	0	0	112.3	W94 N421 I422 S426 F427 S428 I480	W94-L424 HydrophobicContact CB-CD1 4.02Å; W94-L424 HydrophobicContact CD2-CD1 3.63Å; W94-L424 HydrophobicContact CD2-CD2 4.03Å; W94-L424 HydrophobicContact CE3-CD1 3.81Å; W94-L424 HydrophobicContact CG-CD1 3.77Å; W94-L424 HydrophobicContact CG-CD2 4.04Å; W94-L424 HydrophobicContact CH2-CD1 4.42Å; W94-L424 HydrophobicContact CZ2-CD1 4.45Å; W94-L424 HydrophobicContact CZ2-CD2 3.99Å; W94-L424 HydrophobicContact CZ3-CD1 4.2Å; N421-L424 WeakPolarHBondContact O-CB 3.33Å; N421-L424 PolarHBondContact O-N 2.83Å; I422-L424 VanDerWaalsContact C-N 3.31Å; I422-L424 PolarHBondContact O-N 2.87Å; L424-S426 PolarHBondContact O-N 3.05Å; L424-F427 PolarHBondContact O-N 3.15Å; L424-S428 WeakPolarHBondContact O-CB 3.27Å; L424-S428 PolarHBondContact O-N 3.08Å; L424-I480 HydrophobicContact CD2-CD1 3.61Å; L424-I480 HydrophobicContact CG-CD1 3.85Å
425	K	90	Very high	80	Confident	71 Å²	71	40 Å²	40	31%	0.309	21%	0.211	S	C	.	.	H	α-helix	trans	-55.5	-36.6	179	-168.4	-176.3	179.7	-162.4	0	112.3	I422 S423 V446 I480 H481	I422-K425 WeakPolarHBondContact O-CB 3.32Å; I422-K425 PolarHBondContact O-N 3.23Å; S423-K425 PolarHBondContact O-N 3.22Å; K425-V446 HydrophobicContact CD-CG2 4.46Å; K425-V446 WeakPolarHBondContact CE-O 3.35Å; K425-V446 HydrophobicContact CG-CG2 3.97Å; K425-V446 PolarHBondContact NZ-O 3.36Å; K425-V446 WeakPolarHBondContact O-CG2 3.25Å; K425-I480 HydrophobicContact CB-CG2 4.34Å; K425-I480 HydrophobicContact CG-CG2 4.27Å; K425-H481 VanDerWaalsContact CG-CE1 3.41Å; K425-H481 WeakPolarHBondContact CG-CE1 3.34Å; K425-H481 PolarHBondContact O-CE1 3.17Å; K425-H481 PolarHBondContact O-NE2 3.4Å
426	S	92	Very high	81.8	Confident	5 Å²	5	36.7 Å²	36.7	4%	0.035	19%	0.189	C	C	.	.	H	α-helix	trans	-76.9	-38.3	-178.9	-53.4	0	0	0	0	112.4	P379 N392 L395 S423 L424 R429	P379-S426 VanDerWaalsContact CG-OG 3.28Å; P379-S426 WeakPolarHBondContact CG-OG 3.22Å; N392-S426 WeakPolarHBondContact OD1-CB 3.47Å; N392-S426 PolarHBondContact OD1-OG 3.33Å; L395-S426 VanDerWaalsContact CD1-O 3.29Å; L395-S426 WeakPolarHBondContact CD1-O 3.39Å; S423-S426 PolarHBondContact O-N 3.24Å; L424-S426 PolarHBondContact O-N 3.05Å; S426-R429 WeakPolarHBondContact O-CD 3.36Å; S426-R429 WeakPolarHBondContact O-CG 3.34Å; S426-R429 PolarHBondContact O-NH1 2.99Å
427	F	92.4	Very high	83.9	Confident	9 Å²	9	33.6 Å²	33.6	4%	0.039	17%	0.173	C	C	.	.	H	α-helix	trans	-82.9	-34.9	-176.6	-61.8	-70.6	0	0	0	113.4	F374 L378 P379 L395 W405 Y407 L413 S423 L424 R429	F374-F427 HydrophobicContact CE2-CE1 4.23Å; F374-F427 HydrophobicContact CZ-CE1 4.06Å; L378-F427 HydrophobicContact CD1-CE2 4.17Å; P379-F427 HydrophobicContact CG-CE2 4.39Å; L395-F427 HydrophobicContact CD1-CD1 3.91Å; L395-F427 HydrophobicContact CD1-CE1 4.19Å; W405-F427 HydrophobicContact CH2-CB 4.43Å; W405-F427 HydrophobicContact CH2-CD1 4.24Å; W405-F427 HydrophobicContact CZ3-CD1 4.32Å; Y407-F427 HydrophobicContact CD1-CE1 4.35Å; Y407-F427 HydrophobicContact CD1-CZ 4.25Å; Y407-F427 AromaticContact CD2-CE1 3.45Å; Y407-F427 HydrophobicContact CD2-CE1 3.45Å; Y407-F427 VanDerWaalsContact CD2-CE1 3.45Å; Y407-F427 AromaticContact CD2-CZ 3.63Å; Y407-F427 HydrophobicContact CD2-CZ 3.63Å; Y407-F427 HydrophobicContact CE1-CZ 4.25Å; Y407-F427 AromaticContact CE2-CE1 3.92Å; Y407-F427 HydrophobicContact CE2-CE1 3.92Å; Y407-F427 AromaticContact CE2-CZ 3.59Å; Y407-F427 HydrophobicContact CE2-CZ 3.59Å; Y407-F427 AromaticContact CG-CE1 3.69Å; Y407-F427 HydrophobicContact CG-CE1 3.69Å; Y407-F427 AromaticContact CG-CZ 3.96Å; Y407-F427 HydrophobicContact CG-CZ 3.96Å; Y407-F427 AromaticContact CZ-CZ 3.94Å; L413-F427 HydrophobicContact CD2-CD2 4.32Å; L413-F427 HydrophobicContact CD2-CE2 4.36Å; S423-F427 VanDerWaalsContact O-CD2 3.29Å; S423-F427 WeakPolarHBondContact O-CD2 3.18Å; L424-F427 PolarHBondContact O-N 3.15Å; F427-R429 VanDerWaalsContact C-N 3.29Å; F427-R429 PolarHBondContact O-N 2.96Å
428	S	93.6	Very high	86	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.174	C	C	.	.	S	Bend	trans	-85.1	72	178.8	-160.5	0	0	0	0	110.4	W94 L424 P477 I480 H481	W94-S428 VanDerWaalsContact C-OG 3.31Å; W94-S428 WeakPolarHBondContact O-CA 3.44Å; W94-S428 WeakPolarHBondContact O-CB 3.3Å; W94-S428 PolarHBondContact O-OG 3.27Å; L424-S428 WeakPolarHBondContact O-CB 3.27Å; L424-S428 PolarHBondContact O-N 3.08Å; S428-P477 WeakPolarHBondContact O-CG 3.39Å; S428-I480 WeakPolarHBondContact OG-CD1 3.23Å; S428-H481 PolarHBondContact O-CD2 3.02Å; S428-H481 PolarHBondContact O-NE2 3.05Å; S428-H481 VanDerWaalsContact O-NE2 3.14Å
429	R	96	Very high	88.1	Confident	1 Å²	1	29.9 Å²	29.9	0%	0.004	15%	0.153	C	C	.	.			trans	-86.9	155.1	-176.7	-54.2	176.2	74.2	78.2	-2.6	110.8	N396 D399 S426 F427 Y431 F444 F475	N396-R429 PolarHBondContact OD1-NH2 3.04Å; D399-R429 IonicContact OD1-NE 3.68Å; D399-R429 IonicContact OD2-CZ 3.73Å; D399-R429 VanDerWaalsContact OD2-CZ 3.24Å; D399-R429 IonicContact OD2-NE 3.28Å; D399-R429 PolarHBondContact OD2-NE 3.26Å; D399-R429 IonicContact OD2-NH2 3.23Å; D399-R429 PolarHBondContact OD2-NH2 3.33Å; S426-R429 WeakPolarHBondContact O-CD 3.36Å; S426-R429 WeakPolarHBondContact O-CG 3.34Å; S426-R429 PolarHBondContact O-NH1 2.99Å; F427-R429 VanDerWaalsContact C-N 3.29Å; F427-R429 PolarHBondContact O-N 2.96Å; R429-Y431 WeakPolarHBondContact O-CD1 3.15Å; R429-Y431 PolarHBondContact O-N 3.49Å; R429-F444 HydrophobicContact CB-CD1 3.56Å; R429-F444 HydrophobicContact CB-CE1 3.85Å; R429-F444 HydrophobicContact CB-CG 4.2Å; R429-F444 HydrophobicContact CG-CD1 3.82Å; R429-F444 HydrophobicContact CG-CE1 4.05Å; R429-F444 PolarHBondContact NH2-O 2.89Å; R429-F475 VanDerWaalsContact O-CD1 3.26Å; R429-F475 WeakPolarHBondContact O-CD1 3.47Å
430	T	98.2	Very high	90.2	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.153	C	C	.	.			trans	-74.3	124.3	163.7	-56.7	0	0	0	0	109.3	F444 F451 I474 F475 V476 P477 Y482 I527	T430-F444 WeakPolarHBondContact OG1-CE2 3.24Å; T430-F451 HydrophobicContact CG2-CB 3.7Å; T430-F451 HydrophobicContact CG2-CD1 3.8Å; T430-F451 HydrophobicContact CG2-CD2 3.48Å; T430-F451 VanDerWaalsContact CG2-CD2 3.48Å; T430-F451 HydrophobicContact CG2-CE1 4.24Å; T430-F451 HydrophobicContact CG2-CE2 3.93Å; T430-F451 HydrophobicContact CG2-CG 3.36Å; T430-F451 HydrophobicContact CG2-CZ 4.26Å; T430-F451 WeakPolarHBondContact O-CD2 3.37Å; T430-F451 VanDerWaalsContact O-CE2 3.26Å; T430-F451 WeakPolarHBondContact O-CE2 3.04Å; T430-I474 HydrophobicContact CG2-CG2 3.82Å; T430-F475 VanDerWaalsContact CA-O 3.26Å; T430-F475 WeakPolarHBondContact CA-O 3.27Å; T430-F475 VanDerWaalsContact CG2-O 3.32Å; T430-F475 WeakPolarHBondContact CG2-O 3.28Å; T430-V476 HydrophobicContact CG2-CG2 4.08Å; T430-P477 WeakPolarHBondContact OG1-CD 3.12Å; T430-Y482 WeakPolarHBondContact OG1-CE2 2.85Å; T430-Y482 PolarHBondContact OG1-OH 3.47Å; T430-I527 HydrophobicContact CG2-CD1 4.29Å
431	Y	98.6	Very high	92.2	Very high	3 Å²	3	25.8 Å²	25.8	1%	0.012	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	152.4	-178.6	77.9	-82.2	0	0	0	113	L64 H66 G95 N97 R429 Q433 I474 F475	L64-Y431 HydrophobicContact CB-CD2 4.41Å; L64-Y431 HydrophobicContact CD2-CD2 4.02Å; L64-Y431 HydrophobicContact CG-CD2 4.33Å; H66-Y431 HydrophobicContact CB-CE1 4.25Å; H66-Y431 HydrophobicContact CB-CE2 4.4Å; H66-Y431 AromaticContact CE1-CD1 3.7Å; H66-Y431 AromaticContact CE1-CD2 3.55Å; H66-Y431 AromaticContact CE1-CG 3.35Å; H66-Y431 AromaticContact CG-CE2 3.88Å; H66-Y431 AromaticContact CG-CZ 3.79Å; H66-Y431 AromaticContact ND1-CD1 3.31Å; H66-Y431 VanDerWaalsContact ND1-CD1 3.31Å; H66-Y431 WeakPolarHBondContact ND1-CD1 3.21Å; H66-Y431 AromaticContact ND1-CD2 3.64Å; H66-Y431 AromaticContact ND1-CE1 3.39Å; H66-Y431 WeakPolarHBondContact ND1-CE1 3.29Å; H66-Y431 AromaticContact ND1-CE2 3.71Å; H66-Y431 AromaticContact ND1-CG 3.44Å; H66-Y431 AromaticContact ND1-CZ 3.58Å; G95-Y431 WeakPolarHBondContact O-CE1 3.46Å; G95-Y431 PolarHBondContact O-OH 3.42Å; N97-Y431 PolarHBondContact ND2-OH 3.46Å; R429-Y431 WeakPolarHBondContact O-CD1 3.15Å; R429-Y431 PolarHBondContact O-N 3.49Å; Y431-Q433 HydrophobicContact CD2-CG 4.22Å; Y431-Q433 HydrophobicContact CE1-CG 4.34Å; Y431-Q433 HydrophobicContact CE2-CB 4.36Å; Y431-Q433 HydrophobicContact CE2-CG 3.45Å; Y431-Q433 VanDerWaalsContact CE2-CG 3.45Å; Y431-Q433 PolarHBondContact O-N 3.25Å; Y431-Q433 WeakPolarHBondContact OH-CG 3.38Å; Y431-Q433 PolarHBondContact OH-NE2 3.3Å; Y431-I474 WeakPolarHBondContact O-CA 3.42Å; Y431-I474 WeakPolarHBondContact O-CG2 3.18Å; Y431-F475 HydrophobicContact CD1-CB 4.16Å; Y431-F475 HydrophobicContact CD1-CD1 4.05Å; Y431-F475 HydrophobicContact CE1-CB 3.95Å; Y431-F475 AromaticContact CE1-CD1 3.86Å; Y431-F475 HydrophobicContact CE1-CD1 3.86Å; Y431-F475 HydrophobicContact CE1-CG 4.17Å; Y431-F475 PolarHBondContact N-O 2.93Å; Y431-F475 PolarHBondContact O-N 3.06Å
432	P	98.4	Very high	93.8	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	116.3	173.9	30.8	-33.8	0	0	0	110.5	L64 F402 L442 Y453 E473 I474	L64-P432 WeakPolarHBondContact CB-O 3.15Å; F402-P432 HydrophobicContact CE2-CG 3.85Å; F402-P432 HydrophobicContact CZ-CG 4.32Å; P432-L442 HydrophobicContact CG-CD1 4.32Å; P432-Y453 HydrophobicContact CB-CD1 3.99Å; P432-Y453 HydrophobicContact CB-CE1 3.68Å; P432-Y453 HydrophobicContact CG-CD1 4.06Å; P432-Y453 HydrophobicContact CG-CD2 3.94Å; P432-Y453 HydrophobicContact CG-CE1 3.83Å; P432-Y453 HydrophobicContact CG-CE2 3.74Å; P432-Y453 HydrophobicContact CG-CG 4.11Å; P432-E473 CarbonylContact C-O 3.49Å; P432-E473 WeakPolarHBondContact CA-O 3.36Å; P432-I474 HydrophobicContact CB-CG1 4.36Å
433	Q	97.9	Very high	95	Very high	25 Å²	25	26.1 Å²	26.1	12%	0.117	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	-28.1	173.7	-73.8	-170.8	-11.2	0	0	112.5	K63 L64 Y431 E473 F475	K63-Q433 VanDerWaalsContact CE-O 3.3Å; K63-Q433 WeakPolarHBondContact CE-O 3.44Å; K63-Q433 PolarHBondContact NZ-O 2.85Å; L64-Q433 PolarHBondContact N-O 3.5Å; Y431-Q433 HydrophobicContact CD2-CG 4.22Å; Y431-Q433 HydrophobicContact CE1-CG 4.34Å; Y431-Q433 HydrophobicContact CE2-CB 4.36Å; Y431-Q433 HydrophobicContact CE2-CG 3.45Å; Y431-Q433 VanDerWaalsContact CE2-CG 3.45Å; Y431-Q433 PolarHBondContact O-N 3.25Å; Y431-Q433 WeakPolarHBondContact OH-CG 3.38Å; Y431-Q433 PolarHBondContact OH-NE2 3.3Å; Q433-E473 PolarHBondContact N-O 3.14Å; Q433-F475 HydrophobicContact CG-CB 4.07Å
434	S	97.7	Very high	95.9	Very high	1 Å²	1	26 Å²	26	1%	0.007	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	138.7	-179.7	-44.4	0	0	0	0	109.4	I62 K63 A472 E473	I62-S434 CarbonylContact O-C 3.42Å; I62-S434 VanDerWaalsContact O-CA 3.28Å; I62-S434 WeakPolarHBondContact O-CA 3.4Å; K63-S434 PolarHBondContact NZ-OG 2.64Å; S434-A472 CarbonylContact O-C 3.57Å; S434-A472 VanDerWaalsContact O-CA 3.32Å; S434-A472 WeakPolarHBondContact O-CA 3.28Å; S434-E473 WeakPolarHBondContact CB-OE2 3.45Å; S434-E473 PolarHBondContact N-O 3.44Å; S434-E473 PolarHBondContact O-N 3.02Å; S434-E473 PolarHBondContact OG-OE2 2.79Å
435	T	98.2	Very high	96.4	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	128.3	176	-56.9	0	0	0	0	112	F61 I62 G437 Y453 F455 V471	F61-T435 CarbonylContact C-O 3.58Å; F61-T435 WeakPolarHBondContact CA-O 3.34Å; I62-T435 PolarHBondContact N-O 3.16Å; I62-T435 PolarHBondContact O-N 2.73Å; T435-G437 PolarHBondContact O-N 2.85Å; T435-Y453 WeakPolarHBondContact CB-OH 3.33Å; T435-Y453 HydrophobicContact CG2-CE1 3.93Å; T435-Y453 WeakPolarHBondContact CG2-OH 3.4Å; T435-Y453 WeakPolarHBondContact OG1-CE1 3.45Å; T435-Y453 PolarHBondContact OG1-OH 3.33Å; T435-Y453 VanDerWaalsContact OG1-OH 3.1Å; T435-F455 HydrophobicContact CG2-CB 4.08Å; T435-F455 HydrophobicContact CG2-CD1 3.98Å; T435-F455 HydrophobicContact CG2-CD2 3.45Å; T435-F455 VanDerWaalsContact CG2-CD2 3.45Å; T435-F455 HydrophobicContact CG2-CE1 4.24Å; T435-F455 HydrophobicContact CG2-CE2 3.72Å; T435-F455 HydrophobicContact CG2-CG 3.57Å; T435-F455 HydrophobicContact CG2-CZ 4.11Å; T435-V471 WeakPolarHBondContact CA-O 3.41Å
436	A	95.6	Very high	96.6	Very high	14 Å²	14	25.2 Å²	25.2	12%	0.116	13%	0.125	C	C	.	.	S	Bend	trans	-83.9	55.3	174.2	0	0	0	0	0	111.3	F61 T458 V471	F61-A436 HydrophobicContact CD1-CB 4.11Å; F61-A436 HydrophobicContact CD2-CB 4.24Å; F61-A436 HydrophobicContact CE1-CB 3.78Å; F61-A436 HydrophobicContact CE2-CB 3.89Å; F61-A436 HydrophobicContact CG-CB 4.35Å; F61-A436 HydrophobicContact CZ-CB 3.66Å; A436-T458 PolarHBondContact O-N 2.82Å; A436-V471 PolarHBondContact N-O 3.39Å
437	G	94.1	Very high	96.7	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.01	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	174.5	162	-169.9	0	0	0	0	0	113.3	I62 T435 P439 V456 T458	I62-G437 WeakPolarHBondContact CD1-O 3.29Å; T435-G437 PolarHBondContact O-N 2.85Å; G437-P439 WeakPolarHBondContact O-CD 3.2Å; G437-V456 CarbonylContact C-O 3.56Å; G437-V456 WeakPolarHBondContact CA-O 3.46Å; G437-T458 VanDerWaalsContact CA-OG1 3.28Å; G437-T458 WeakPolarHBondContact CA-OG1 3.44Å; G437-T458 PolarHBondContact N-OG1 2.54Å
438	Q	95.4	Very high	96.9	Very high	65 Å²	65	33.2 Å²	33.2	30%	0.304	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	116.8	-179	-66.2	-62.9	-21.6	0	0	110.5	V440 F455 V456	Q438-V440 PolarHBondContact O-N 3.24Å; Q438-F455 CarbonylContact O-C 3.32Å; Q438-F455 WeakPolarHBondContact O-CA 3.47Å; Q438-F455 VanDerWaalsContact O-CB 3.32Å; Q438-F455 WeakPolarHBondContact O-CB 3.16Å; Q438-V456 HydrophobicContact CB-CB 4.47Å; Q438-V456 PolarHBondContact N-O 2.86Å; Q438-V456 PolarHBondContact O-N 2.99Å
439	P	97.7	Very high	97	Very high	17 Å²	17	33.3 Å²	33.3	11%	0.11	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.7	132.5	177.2	-21.2	31.3	0	0	0	111.5	Y54 I62 F402 G437 Y453	Y54-P439 HydrophobicContact CE2-CG 4.39Å; I62-P439 HydrophobicContact CG2-CG 4.17Å; F402-P439 HydrophobicContact CD1-CB 4.28Å; F402-P439 HydrophobicContact CD1-CG 3.82Å; F402-P439 HydrophobicContact CD2-CB 3.63Å; F402-P439 HydrophobicContact CD2-CG 3.91Å; F402-P439 HydrophobicContact CE1-CB 4.34Å; F402-P439 HydrophobicContact CE1-CG 3.54Å; F402-P439 HydrophobicContact CE2-CB 3.68Å; F402-P439 HydrophobicContact CE2-CG 3.62Å; F402-P439 HydrophobicContact CG-CB 3.93Å; F402-P439 HydrophobicContact CG-CG 4Å; F402-P439 HydrophobicContact CZ-CB 4.05Å; F402-P439 HydrophobicContact CZ-CG 3.42Å; F402-P439 VanDerWaalsContact CZ-CG 3.42Å; G437-P439 WeakPolarHBondContact O-CD 3.2Å; P439-Y453 HydrophobicContact CB-CE2 4.14Å
440	V	97.8	Very high	97.1	Very high	88 Å²	88	34.9 Å²	34.9	53%	0.533	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	-45.3	175.1	175.4	0	0	0	0	110.2	Q438 A454 V456 L522	Q438-V440 PolarHBondContact O-N 3.24Å; V440-A454 WeakPolarHBondContact CA-O 3.43Å; V440-A454 HydrophobicContact CB-CB 4.42Å; V440-A454 WeakPolarHBondContact CB-O 3.37Å; V440-A454 PolarHBondContact N-O 3.08Å; V440-V456 HydrophobicContact CG2-CG2 3.75Å; V440-L522 HydrophobicContact CB-CD1 4.35Å; V440-L522 HydrophobicContact CG2-CD1 3.94Å
441	Q	98.3	Very high	97.1	Very high	97 Å²	97	34.9 Å²	34.9	45%	0.453	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	135.5	-177.1	-173.9	173.7	9.9	0	0	110.8	Y452 Y453 A454	Q441-Y452 HydrophobicContact CB-CE1 4.05Å; Q441-Y452 HydrophobicContact CG-CD1 4.18Å; Q441-Y452 HydrophobicContact CG-CE1 3.94Å; Q441-Y453 CarbonylContact O-C 3.52Å; Q441-Y453 WeakPolarHBondContact O-CA 3.26Å; Q441-Y453 WeakPolarHBondContact O-CD2 3.18Å; Q441-A454 HydrophobicContact CB-CB 4.41Å; Q441-A454 PolarHBondContact N-O 2.74Å; Q441-A454 VanDerWaalsContact N-O 3.12Å; Q441-A454 PolarHBondContact O-N 3.32Å
442	L	98.7	Very high	97.1	Very high	7 Å²	7	36.9 Å²	36.9	4%	0.037	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	130.1	172.6	171.2	61.4	0	0	0	108.4	L64 D399 F402 P432 F451 Y453	L64-L442 HydrophobicContact CD2-CD2 3.73Å; D399-L442 HydrophobicContact CB-CD2 4.24Å; D399-L442 HydrophobicContact CB-CG 4.08Å; F402-L442 HydrophobicContact CD2-CB 4.29Å; F402-L442 HydrophobicContact CD2-CD2 3.98Å; F402-L442 HydrophobicContact CE2-CD2 4.27Å; P432-L442 HydrophobicContact CG-CD1 4.32Å; L442-F451 HydrophobicContact CD1-CD2 4.37Å; L442-F451 HydrophobicContact CD1-CE2 3.51Å; L442-F451 HydrophobicContact CD1-CZ 4.21Å; L442-Y453 HydrophobicContact CB-CD2 4.09Å; L442-Y453 HydrophobicContact CB-CE2 4.49Å; L442-Y453 HydrophobicContact CD1-CD2 4.13Å
443	R	98.4	Very high	97.1	Very high	130 Å²	130	36.9 Å²	36.9	49%	0.491	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	132	173.7	-171	177.3	76	130.3	2	110.3	Y452	R443-Y452 PolarHBondContact N-O 3.06Å; R443-Y452 PolarHBondContact O-N 3.04Å
444	F	98.5	Very high	97.2	Very high	3 Å²	3	35.7 Å²	35.7	1%	0.013	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	133.1	166.4	-179.9	-112.1	0	0	0	109.4	R429 T430 V446 F451 H481	R429-F444 HydrophobicContact CB-CD1 3.56Å; R429-F444 HydrophobicContact CB-CE1 3.85Å; R429-F444 HydrophobicContact CB-CG 4.2Å; R429-F444 HydrophobicContact CG-CD1 3.82Å; R429-F444 HydrophobicContact CG-CE1 4.05Å; R429-F444 PolarHBondContact NH2-O 2.89Å; T430-F444 WeakPolarHBondContact OG1-CE2 3.24Å; F444-V446 HydrophobicContact CE1-CB 4.29Å; F444-F451 HydrophobicContact CD2-CB 4.06Å; F444-F451 HydrophobicContact CD2-CD2 4.44Å; F444-H481 AromaticContact CE1-CE1 3.84Å; F444-H481 AromaticContact CE1-NE2 3.91Å; F444-H481 HydrophobicContact CZ-CB 4.49Å; F444-H481 AromaticContact CZ-CD2 3.79Å; F444-H481 AromaticContact CZ-CE1 3.57Å; F444-H481 AromaticContact CZ-CG 3.73Å; F444-H481 AromaticContact CZ-ND1 3.61Å; F444-H481 AromaticContact CZ-NE2 3.69Å
445	D	97.5	Very high	97.2	Very high	56 Å²	56	35.7 Å²	35.7	30%	0.299	19%	0.185	S	C	.	.			trans	-104.2	108.9	174.3	-177	-63.7	0	0	0	108.2	D447 S448 G449 V450	D445-D447 VanDerWaalsContact C-N 3.26Å; D445-D447 PolarHBondContact O-N 3.19Å; D445-D447 PolarHBondContact OD1-N 2.86Å; D445-S448 VanDerWaalsContact CB-OG 3.29Å; D445-S448 WeakPolarHBondContact CB-OG 3.49Å; D445-S448 WeakPolarHBondContact OD1-CB 3.42Å; D445-S448 PolarHBondContact OD1-N 2.97Å; D445-S448 PolarHBondContact OD1-OG 3.33Å; D445-G449 VanDerWaalsContact O-CA 3.23Å; D445-G449 WeakPolarHBondContact O-CA 3.49Å; D445-G449 PolarHBondContact O-N 3.38Å; D445-V450 PolarHBondContact N-O 3.42Å
446	V	94.7	Very high	97	Very high	8 Å²	8	38.2 Å²	38.2	5%	0.048	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-32.8	-173.8	65.5	0	0	0	0	112.3	K425 F444 H481	K425-V446 HydrophobicContact CD-CG2 4.46Å; K425-V446 WeakPolarHBondContact CE-O 3.35Å; K425-V446 HydrophobicContact CG-CG2 3.97Å; K425-V446 PolarHBondContact NZ-O 3.36Å; K425-V446 WeakPolarHBondContact O-CG2 3.25Å; F444-V446 HydrophobicContact CE1-CB 4.29Å; V446-H481 PolarHBondContact O-CE1 3.22Å
447	D	93	Very high	96.9	Very high	124 Å²	124	37.8 Å²	37.8	66%	0.663	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-47.1	-174.5	-68	-39.1	0	0	0	111.4	D445	D445-D447 VanDerWaalsContact C-N 3.26Å; D445-D447 PolarHBondContact O-N 3.19Å; D445-D447 PolarHBondContact OD1-N 2.86Å
448	S	95.6	Very high	96.7	Very high	57 Å²	57	42 Å²	42	40%	0.399	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-15.1	-179.7	65.5	0	0	0	0	114.2	D445 V450 P529	D445-S448 VanDerWaalsContact CB-OG 3.29Å; D445-S448 WeakPolarHBondContact CB-OG 3.49Å; D445-S448 WeakPolarHBondContact OD1-CB 3.42Å; D445-S448 PolarHBondContact OD1-N 2.97Å; D445-S448 PolarHBondContact OD1-OG 3.33Å; S448-V450 PolarHBondContact O-N 2.88Å; S448-V450 WeakPolarHBondContact OG-CG2 3.36Å; S448-V450 PolarHBondContact OG-N 3.04Å; S448-P529 VanDerWaalsContact O-CG 3.29Å; S448-P529 WeakPolarHBondContact O-CG 3.33Å
449	G	96.2	Very high	96	Very high	2 Å²	2	43.4 Å²	43.4	2%	0.021	23%	0.229	C	C	.	.			trans	68.1	10.4	-172.6	0	0	0	0	0	114	D445 F451 Y482	D445-G449 VanDerWaalsContact O-CA 3.23Å; D445-G449 WeakPolarHBondContact O-CA 3.49Å; D445-G449 PolarHBondContact O-N 3.38Å; G449-F451 PolarHBondContact O-N 3.06Å; G449-Y482 VanDerWaalsContact O-CE1 3.27Å; G449-Y482 WeakPolarHBondContact O-CE1 3.39Å; G449-Y482 VanDerWaalsContact O-CZ 3.27Å; G449-Y482 PolarHBondContact O-OH 3Å
450	V	98.4	Very high	95	Very high	35 Å²	35	48.2 Å²	48.2	21%	0.212	25%	0.248	C	C	.	.			trans	-75.8	124.6	-179.6	177.2	0	0	0	0	109.8	D445 S448 I528	D445-V450 PolarHBondContact N-O 3.42Å; S448-V450 PolarHBondContact O-N 2.88Å; S448-V450 WeakPolarHBondContact OG-CG2 3.36Å; S448-V450 PolarHBondContact OG-N 3.04Å; V450-I528 HydrophobicContact CG2-CG2 4.33Å
451	F	98.8	Very high	94	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	139.2	177	170.8	-99.7	0	0	0	110.8	T430 L442 F444 G449 Y453 I474 I525 T526 I527	T430-F451 HydrophobicContact CG2-CB 3.7Å; T430-F451 HydrophobicContact CG2-CD1 3.8Å; T430-F451 HydrophobicContact CG2-CD2 3.48Å; T430-F451 VanDerWaalsContact CG2-CD2 3.48Å; T430-F451 HydrophobicContact CG2-CE1 4.24Å; T430-F451 HydrophobicContact CG2-CE2 3.93Å; T430-F451 HydrophobicContact CG2-CG 3.36Å; T430-F451 HydrophobicContact CG2-CZ 4.26Å; T430-F451 WeakPolarHBondContact O-CD2 3.37Å; T430-F451 VanDerWaalsContact O-CE2 3.26Å; T430-F451 WeakPolarHBondContact O-CE2 3.04Å; L442-F451 HydrophobicContact CD1-CD2 4.37Å; L442-F451 HydrophobicContact CD1-CE2 3.51Å; L442-F451 HydrophobicContact CD1-CZ 4.21Å; F444-F451 HydrophobicContact CD2-CB 4.06Å; F444-F451 HydrophobicContact CD2-CD2 4.44Å; G449-F451 PolarHBondContact O-N 3.06Å; F451-Y453 HydrophobicContact CZ-CG 4.19Å; F451-I474 HydrophobicContact CE1-CD1 3.82Å; F451-I474 HydrophobicContact CE1-CG2 3.99Å; F451-I474 HydrophobicContact CZ-CD1 4.06Å; F451-I474 HydrophobicContact CZ-CG2 3.87Å; F451-I525 HydrophobicContact CE1-CG2 4.29Å; F451-T526 WeakPolarHBondContact O-CA 3.45Å; F451-I527 HydrophobicContact CB-CB 4.18Å; F451-I527 HydrophobicContact CD1-CB 4.12Å; F451-I527 HydrophobicContact CD1-CD1 3.88Å; F451-I527 HydrophobicContact CD1-CG1 3.91Å; F451-I527 HydrophobicContact CE1-CD1 4.24Å; F451-I527 PolarHBondContact N-O 3.37Å; F451-I527 PolarHBondContact O-N 3.07Å
452	Y	98.8	Very high	93.2	Very high	44 Å²	44	45.3 Å²	45.3	17%	0.173	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	130.3	172.2	175.3	-91.6	0	0	0	110.2	Q441 R443 A454 E524 I525	Q441-Y452 HydrophobicContact CB-CE1 4.05Å; Q441-Y452 HydrophobicContact CG-CD1 4.18Å; Q441-Y452 HydrophobicContact CG-CE1 3.94Å; R443-Y452 PolarHBondContact N-O 3.06Å; R443-Y452 PolarHBondContact O-N 3.04Å; Y452-A454 HydrophobicContact CE1-CB 3.93Å; Y452-E524 HydrophobicContact CE2-CB 4.25Å; Y452-E524 HydrophobicContact CE2-CG 4.44Å; Y452-E524 PolarHBondContact OH-OE2 2.89Å; Y452-I525 WeakPolarHBondContact CA-O 3.45Å
453	Y	98.8	Very high	92.4	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	133	174.5	-178.1	-127.5	0	0	0	111.2	F402 P432 T435 P439 Q441 L442 F451 F455 I474 E524 I525	F402-Y453 HydrophobicContact CD2-CE2 4.43Å; F402-Y453 AromaticContact CE2-CE2 3.81Å; F402-Y453 HydrophobicContact CE2-CE2 3.81Å; P432-Y453 HydrophobicContact CB-CD1 3.99Å; P432-Y453 HydrophobicContact CB-CE1 3.68Å; P432-Y453 HydrophobicContact CG-CD1 4.06Å; P432-Y453 HydrophobicContact CG-CD2 3.94Å; P432-Y453 HydrophobicContact CG-CE1 3.83Å; P432-Y453 HydrophobicContact CG-CE2 3.74Å; P432-Y453 HydrophobicContact CG-CG 4.11Å; T435-Y453 WeakPolarHBondContact CB-OH 3.33Å; T435-Y453 HydrophobicContact CG2-CE1 3.93Å; T435-Y453 WeakPolarHBondContact CG2-OH 3.4Å; T435-Y453 WeakPolarHBondContact OG1-CE1 3.45Å; T435-Y453 PolarHBondContact OG1-OH 3.33Å; T435-Y453 VanDerWaalsContact OG1-OH 3.1Å; P439-Y453 HydrophobicContact CB-CE2 4.14Å; Q441-Y453 CarbonylContact O-C 3.52Å; Q441-Y453 WeakPolarHBondContact O-CA 3.26Å; Q441-Y453 WeakPolarHBondContact O-CD2 3.18Å; L442-Y453 HydrophobicContact CB-CD2 4.09Å; L442-Y453 HydrophobicContact CB-CE2 4.49Å; L442-Y453 HydrophobicContact CD1-CD2 4.13Å; F451-Y453 HydrophobicContact CZ-CG 4.19Å; Y453-F455 AromaticContact CD1-CD1 3.66Å; Y453-F455 HydrophobicContact CD1-CD1 3.66Å; Y453-F455 HydrophobicContact CD1-CE1 4.07Å; Y453-F455 HydrophobicContact CE1-CB 4.21Å; Y453-F455 AromaticContact CE1-CD1 3.29Å; Y453-F455 HydrophobicContact CE1-CD1 3.29Å; Y453-F455 AromaticContact CE1-CE1 3.87Å; Y453-F455 HydrophobicContact CE1-CE1 3.87Å; Y453-F455 AromaticContact CE1-CG 3.99Å; Y453-F455 HydrophobicContact CE1-CG 3.99Å; Y453-F455 AromaticContact CZ-CD1 3.96Å; Y453-I474 HydrophobicContact CD1-CD1 4.45Å; Y453-E524 CarbonylContact O-C 3.52Å; Y453-E524 WeakPolarHBondContact O-CA 3.27Å; Y453-I525 PolarHBondContact N-O 2.97Å; Y453-I525 PolarHBondContact O-N 3.03Å
454	A	98.6	Very high	91.7	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.008	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	138.6	176.4	0	0	0	0	0	110.9	V440 Q441 Y452 L522 I523 E524	V440-A454 WeakPolarHBondContact CA-O 3.43Å; V440-A454 HydrophobicContact CB-CB 4.42Å; V440-A454 WeakPolarHBondContact CB-O 3.37Å; V440-A454 PolarHBondContact N-O 3.08Å; Q441-A454 HydrophobicContact CB-CB 4.41Å; Q441-A454 PolarHBondContact N-O 2.74Å; Q441-A454 VanDerWaalsContact N-O 3.12Å; Q441-A454 PolarHBondContact O-N 3.32Å; Y452-A454 HydrophobicContact CE1-CB 3.93Å; A454-L522 HydrophobicContact CB-CD1 4.24Å; A454-I523 CarbonylContact C-O 3.33Å; A454-I523 WeakPolarHBondContact CA-O 3.26Å; A454-E524 HydrophobicContact CB-CG 4.08Å
455	F	97.7	Very high	90.8	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	154.4	-179.8	64.9	-84.3	0	0	0	112.2	T435 Q438 Y453 V471 A472 I523 I525	T435-F455 HydrophobicContact CG2-CB 4.08Å; T435-F455 HydrophobicContact CG2-CD1 3.98Å; T435-F455 HydrophobicContact CG2-CD2 3.45Å; T435-F455 VanDerWaalsContact CG2-CD2 3.45Å; T435-F455 HydrophobicContact CG2-CE1 4.24Å; T435-F455 HydrophobicContact CG2-CE2 3.72Å; T435-F455 HydrophobicContact CG2-CG 3.57Å; T435-F455 HydrophobicContact CG2-CZ 4.11Å; Q438-F455 CarbonylContact O-C 3.32Å; Q438-F455 WeakPolarHBondContact O-CA 3.47Å; Q438-F455 VanDerWaalsContact O-CB 3.32Å; Q438-F455 WeakPolarHBondContact O-CB 3.16Å; Y453-F455 AromaticContact CD1-CD1 3.66Å; Y453-F455 HydrophobicContact CD1-CD1 3.66Å; Y453-F455 HydrophobicContact CD1-CE1 4.07Å; Y453-F455 HydrophobicContact CE1-CB 4.21Å; Y453-F455 AromaticContact CE1-CD1 3.29Å; Y453-F455 HydrophobicContact CE1-CD1 3.29Å; Y453-F455 AromaticContact CE1-CE1 3.87Å; Y453-F455 HydrophobicContact CE1-CE1 3.87Å; Y453-F455 AromaticContact CE1-CG 3.99Å; Y453-F455 HydrophobicContact CE1-CG 3.99Å; Y453-F455 AromaticContact CZ-CD1 3.96Å; F455-V471 HydrophobicContact CE2-CB 4.15Å; F455-V471 HydrophobicContact CZ-CB 3.97Å; F455-V471 HydrophobicContact CZ-CG2 4.05Å; F455-A472 HydrophobicContact CE1-CB 4.3Å; F455-A472 HydrophobicContact CZ-CB 4.26Å; F455-I523 HydrophobicContact CD1-CB 4.31Å; F455-I523 HydrophobicContact CD1-CG2 4.41Å; F455-I523 HydrophobicContact CE1-CB 3.88Å; F455-I523 HydrophobicContact CE1-CG2 3.62Å; F455-I523 HydrophobicContact CE2-CB 4.13Å; F455-I523 HydrophobicContact CE2-CD1 3.76Å; F455-I523 HydrophobicContact CE2-CG1 4.45Å; F455-I523 HydrophobicContact CE2-CG2 4.48Å; F455-I523 HydrophobicContact CZ-CB 3.79Å; F455-I523 HydrophobicContact CZ-CD1 3.81Å; F455-I523 HydrophobicContact CZ-CG1 4.39Å; F455-I523 HydrophobicContact CZ-CG2 3.67Å; F455-I523 PolarHBondContact N-O 3.07Å; F455-I523 PolarHBondContact O-N 2.95Å; F455-I525 HydrophobicContact CE1-CD1 4.06Å
456	V	95.2	Very high	90.1	Very high	54 Å²	54	58.6 Å²	58.6	33%	0.327	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	117.4	173.8	-178.2	0	0	0	0	108.5	G437 Q438 V440 T458 E521 L522	G437-V456 CarbonylContact C-O 3.56Å; G437-V456 WeakPolarHBondContact CA-O 3.46Å; Q438-V456 HydrophobicContact CB-CB 4.47Å; Q438-V456 PolarHBondContact N-O 2.86Å; Q438-V456 PolarHBondContact O-N 2.99Å; V440-V456 HydrophobicContact CG2-CG2 3.75Å; V456-T458 PolarHBondContact O-N 3.14Å; V456-E521 WeakPolarHBondContact CG2-O 3.15Å; V456-L522 HydrophobicContact CG2-CD1 4.45Å
457	P	93.4	Very high	89.8	Confident	5 Å²	5	60.1 Å²	60.1	3%	0.032	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	136.2	-178.5	25.6	-33.2	0	0	0	111.8	I516 I520 I523	P457-I516 HydrophobicContact CB-CD1 4.33Å; P457-I516 HydrophobicContact CG-CD1 4.43Å; P457-I520 HydrophobicContact CG-CB 4.43Å; P457-I520 HydrophobicContact CG-CG2 4.48Å; P457-I523 HydrophobicContact CB-CD1 4.04Å; P457-I523 HydrophobicContact CG-CD1 4.08Å; P457-I523 HydrophobicContact CG-CG1 4.38Å
458	T	88.7	Confident	89.7	Confident	90 Å²	90	55.7 Å²	55.7	55%	0.552	31%	0.314	S	S	*	.	S	Bend	trans	-74.7	-41.2	178.5	-54.5	0	0	0	0	111	A436 G437 V456 K460	A436-T458 PolarHBondContact O-N 2.82Å; G437-T458 VanDerWaalsContact CA-OG1 3.28Å; G437-T458 WeakPolarHBondContact CA-OG1 3.44Å; G437-T458 PolarHBondContact N-OG1 2.54Å; V456-T458 PolarHBondContact O-N 3.14Å; T458-K460 PolarHBondContact O-N 3.19Å
459	Q	81.6	Confident	89.5	Confident	94 Å²	94	54.4 Å²	54.4	44%	0.439	30%	0.303	S	S	.	.			trans	-82.2	119.5	179.7	-173.4	168.8	5.3	0	0	110.3	N461 L469 I516	Q459-N461 VanDerWaalsContact CG-O 3.29Å; Q459-N461 WeakPolarHBondContact CG-O 3.45Å; Q459-N461 PolarHBondContact NE2-O 2.81Å; Q459-L469 VanDerWaalsContact CD-CD1 3.4Å; Q459-L469 HydrophobicContact CG-CD1 3.99Å; Q459-I516 WeakPolarHBondContact O-CD1 3.42Å; Q459-I516 WeakPolarHBondContact O-CG1 3.07Å
460	K	76.9	Confident	89.4	Confident	118 Å²	118	56.5 Å²	56.5	51%	0.513	31%	0.313	S	S	.	.			trans	-102.3	-11.2	179.5	-62.2	-168.8	176.8	-171.9	0	114.5	T458 I516	T458-K460 PolarHBondContact O-N 3.19Å; K460-I516 CarbonylContact O-C 3.51Å
461	N	76.6	Confident	89.3	Confident	114 Å²	114	55 Å²	55	61%	0.61	31%	0.305	S	S	*	.			trans	-133.4	141.4	-177.2	-74.7	-20.4	0	0	0	111.1	Q459 N517	Q459-N461 VanDerWaalsContact CG-O 3.29Å; Q459-N461 WeakPolarHBondContact CG-O 3.45Å; Q459-N461 PolarHBondContact NE2-O 2.81Å; N461-N517 WeakPolarHBondContact CA-OD1 3.39Å
462	C	81.2	Confident	89.2	Confident	10 Å²	10	55 Å²	55	7%	0.068	31%	0.305	C	S	.	.			trans	-130	130.8	169.5	177.8	0	0	0	0	110.6	N464 S467 L469 C513 I516 N517	C462-N464 PolarHBondContact SG-O 3.07Å; C462-S467 PolarHBondContact SG-OG 3.35Å; C462-L469 HydrophobicContact CB-CD1 3.91Å; C462-L469 HydrophobicContact CB-CG 4.38Å; C462-C513 HydrophobicContact CB-CB 3.4Å; C462-C513 VanDerWaalsContact CB-CB 3.4Å; C462-C513 WeakPolarHBondContact CB-SG 3.3Å; C462-C513 WeakPolarHBondContact SG-CB 3.11Å; C462-C513 CovalentContact SG-SG 2.01Å; C462-C513 PolarHBondContact SG-SG 3.32Å; C462-I516 HydrophobicContact CB-CG2 3.46Å; C462-I516 VanDerWaalsContact CB-CG2 3.46Å; C462-N517 PolarHBondContact N-OD1 3.04Å; C462-N517 PolarHBondContact O-ND2 3.06Å; C462-N517 PolarHBondContact O-OD1 2.89Å
463	T	81.9	Confident	89.1	Confident	151 Å²	151	55 Å²	55	93%	0.926	31%	0.306	S	S	*	.	S	Bend	trans	-81.8	-31.9	-174.3	52.5	0	0	0	0	113.3
464	N	84.1	Confident	89.1	Confident	87 Å²	87	55 Å²	55	47%	0.465	31%	0.306	S	S	.	.			trans	-99.9	98	177.8	-177.3	3	0	0	0	110.6	C462 N466 S467 C513	C462-N464 PolarHBondContact SG-O 3.07Å; N464-N466 PolarHBondContact O-N 2.74Å; N464-N466 VanDerWaalsContact O-N 3.09Å; N464-N466 PolarHBondContact OD1-N 3.14Å; N464-S467 WeakPolarHBondContact CB-OG 3.47Å; N464-S467 WeakPolarHBondContact O-CB 3.49Å; N464-S467 PolarHBondContact O-N 3.31Å; N464-S467 PolarHBondContact O-OG 3.15Å; N464-C513 VanDerWaalsContact O-CB 3.29Å; N464-C513 WeakPolarHBondContact O-CB 3.12Å; N464-C513 PolarHBondContact O-SG 3.39Å
465	V	78.5	Confident	89.1	Confident	82 Å²	82	55 Å²	55	50%	0.497	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-24.3	-179.7	-75.2	0	0	0	0	114.8	S467 T514	V465-S467 VanDerWaalsContact C-N 3.31Å; V465-T514 HydrophobicContact CB-CG2 4.48Å
466	N	83.4	Confident	89	Confident	154 Å²	154	55 Å²	55	82%	0.824	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	1.6	178	-66.9	-25.5	0	0	0	113.3	N464	N464-N466 PolarHBondContact O-N 2.74Å; N464-N466 VanDerWaalsContact O-N 3.09Å; N464-N466 PolarHBondContact OD1-N 3.14Å
467	S	88.9	Confident	89	Confident	40 Å²	40	52.4 Å²	52.4	28%	0.28	29%	0.29	S	S	.	.			trans	-100.1	169.4	177.8	67.3	0	0	0	0	111.9	C462 N464 V465 C513	C462-S467 PolarHBondContact SG-OG 3.35Å; N464-S467 WeakPolarHBondContact CB-OG 3.47Å; N464-S467 WeakPolarHBondContact O-CB 3.49Å; N464-S467 PolarHBondContact O-N 3.31Å; N464-S467 PolarHBondContact O-OG 3.15Å; V465-S467 VanDerWaalsContact C-N 3.31Å; S467-C513 VanDerWaalsContact C-SG 3.59Å; S467-C513 VanDerWaalsContact O-CB 3.24Å; S467-C513 WeakPolarHBondContact O-CB 3.36Å; S467-C513 PolarHBondContact O-N 3.46Å; S467-C513 PolarHBondContact O-SG 3.19Å; S467-C513 PolarHBondContact OG-SG 2.68Å
468	A	90.3	Very high	88.9	Confident	31 Å²	31	54.4 Å²	54.4	26%	0.256	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	150.6	168.2	0	0	0	0	0	109	Y496 I511	A468-Y496 HydrophobicContact CB-CE1 3.97Å; A468-Y496 WeakPolarHBondContact CB-OH 3.41Å; A468-I511 CarbonylContact C-O 3.52Å; A468-I511 VanDerWaalsContact CA-O 3.26Å; A468-I511 WeakPolarHBondContact CA-O 3.46Å; A468-I511 WeakPolarHBondContact CB-O 3.38Å
469	L	92.1	Very high	89	Confident	30 Å²	30	53.8 Å²	53.8	16%	0.157	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	133.1	179.5	-61.2	172.1	0	0	0	109.6	Q459 C462 V471 Y510 I511 I516	Q459-L469 VanDerWaalsContact CD-CD1 3.4Å; Q459-L469 HydrophobicContact CG-CD1 3.99Å; C462-L469 HydrophobicContact CB-CD1 3.91Å; C462-L469 HydrophobicContact CB-CG 4.38Å; L469-V471 PolarHBondContact O-N 2.96Å; L469-Y510 CarbonylContact O-C 3.57Å; L469-Y510 VanDerWaalsContact O-CA 3.24Å; L469-Y510 WeakPolarHBondContact O-CA 3.34Å; L469-I511 HydrophobicContact CB-CG2 4.08Å; L469-I511 PolarHBondContact N-O 3.43Å; L469-I511 PolarHBondContact O-N 3.11Å; L469-I516 HydrophobicContact CD1-CG1 4.23Å; L469-I516 HydrophobicContact CD1-CG2 4.17Å
470	L	94	Very high	89.4	Confident	46 Å²	46	51.1 Å²	51.1	24%	0.241	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	124.7	167.8	179.9	67.4	0	0	0	108.4	F61 E473 F508 Y510	F61-L470 HydrophobicContact CE1-CD2 4.08Å; F61-L470 HydrophobicContact CE1-CG 4.04Å; F61-L470 HydrophobicContact CZ-CB 4.36Å; F61-L470 HydrophobicContact CZ-CD2 4.21Å; F61-L470 HydrophobicContact CZ-CG 4.2Å; F61-L470 WeakPolarHBondContact CZ-O 3.38Å; L470-E473 HydrophobicContact CD1-CG 4.46Å; L470-E473 HydrophobicContact CD2-CG 4.21Å; L470-F508 HydrophobicContact CD1-CB 3.88Å; L470-F508 HydrophobicContact CD1-CD1 3.82Å; L470-F508 HydrophobicContact CD1-CG 4.34Å; L470-F508 HydrophobicContact CD2-CD1 4.25Å; L470-Y510 HydrophobicContact CB-CD1 4.1Å; L470-Y510 HydrophobicContact CB-CE1 3.83Å; L470-Y510 HydrophobicContact CD1-CD1 4.4Å; L470-Y510 HydrophobicContact CD1-CE1 3.97Å; L470-Y510 HydrophobicContact CD1-CE2 4.49Å; L470-Y510 HydrophobicContact CG-CE1 4.49Å
471	V	95.4	Very high	90.2	Very high	5 Å²	5	46.1 Å²	46.1	3%	0.03	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	-26.4	-178.7	-67.8	0	0	0	0	113.6	T435 A436 F455 L469 L495 F509 I511 I523	T435-V471 WeakPolarHBondContact CA-O 3.41Å; A436-V471 PolarHBondContact N-O 3.39Å; F455-V471 HydrophobicContact CE2-CB 4.15Å; F455-V471 HydrophobicContact CZ-CB 3.97Å; F455-V471 HydrophobicContact CZ-CG2 4.05Å; L469-V471 PolarHBondContact O-N 2.96Å; V471-L495 HydrophobicContact CG2-CD1 3.78Å; V471-F509 HydrophobicContact CG2-CB 4.14Å; V471-F509 VanDerWaalsContact CG2-O 3.3Å; V471-F509 WeakPolarHBondContact CG2-O 3.49Å; V471-F509 PolarHBondContact N-O 3.39Å; V471-I511 HydrophobicContact CG1-CB 4.03Å; V471-I511 HydrophobicContact CG1-CG2 3.44Å; V471-I511 VanDerWaalsContact CG1-CG2 3.44Å; V471-I523 HydrophobicContact CB-CD1 4.39Å; V471-I523 HydrophobicContact CG1-CD1 4.31Å; V471-I523 HydrophobicContact CG2-CD1 4.35Å
472	A	97.4	Very high	91	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	147.3	176.4	0	0	0	0	0	112.1	S434 F455 I474 F509 I525	S434-A472 CarbonylContact O-C 3.57Å; S434-A472 VanDerWaalsContact O-CA 3.32Å; S434-A472 WeakPolarHBondContact O-CA 3.28Å; F455-A472 HydrophobicContact CE1-CB 4.3Å; F455-A472 HydrophobicContact CZ-CB 4.26Å; A472-I474 HydrophobicContact CB-CD1 4.45Å; A472-I474 HydrophobicContact CB-CG1 4.2Å; A472-F509 HydrophobicContact CB-CB 4.28Å; A472-F509 PolarHBondContact O-N 2.76Å; A472-I525 HydrophobicContact CB-CD1 4.4Å
473	E	97.1	Very high	91.5	Very high	42 Å²	42	44.4 Å²	44.4	20%	0.196	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	117.3	166.6	-59.7	174.9	172.4	0	0	107.3	P432 Q433 S434 L470 L506 M507 F508	P432-E473 CarbonylContact C-O 3.49Å; P432-E473 WeakPolarHBondContact CA-O 3.36Å; Q433-E473 PolarHBondContact N-O 3.14Å; S434-E473 WeakPolarHBondContact CB-OE2 3.45Å; S434-E473 PolarHBondContact N-O 3.44Å; S434-E473 PolarHBondContact O-N 3.02Å; S434-E473 PolarHBondContact OG-OE2 2.79Å; L470-E473 HydrophobicContact CD1-CG 4.46Å; L470-E473 HydrophobicContact CD2-CG 4.21Å; E473-L506 HydrophobicContact CB-CD1 4.38Å; E473-M507 WeakPolarHBondContact CA-O 3.37Å; E473-F508 HydrophobicContact CG-CD1 3.89Å; E473-F508 HydrophobicContact CG-CE1 3.8Å; E473-F508 WeakPolarHBondContact OE1-CE1 3.17Å
474	I	98.3	Very high	92.1	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	123.1	-174.6	-54.3	-174	0	0	0	108.8	T430 Y431 P432 F451 Y453 A472 V476 M507 F509 I525 I527	T430-I474 HydrophobicContact CG2-CG2 3.82Å; Y431-I474 WeakPolarHBondContact O-CA 3.42Å; Y431-I474 WeakPolarHBondContact O-CG2 3.18Å; P432-I474 HydrophobicContact CB-CG1 4.36Å; F451-I474 HydrophobicContact CE1-CD1 3.82Å; F451-I474 HydrophobicContact CE1-CG2 3.99Å; F451-I474 HydrophobicContact CZ-CD1 4.06Å; F451-I474 HydrophobicContact CZ-CG2 3.87Å; Y453-I474 HydrophobicContact CD1-CD1 4.45Å; A472-I474 HydrophobicContact CB-CD1 4.45Å; A472-I474 HydrophobicContact CB-CG1 4.2Å; I474-V476 HydrophobicContact CG2-CG2 4.05Å; I474-M507 PolarHBondContact N-O 3.32Å; I474-M507 PolarHBondContact O-N 2.89Å; I474-F509 HydrophobicContact CB-CD2 4.39Å; I474-F509 HydrophobicContact CB-CE2 3.84Å; I474-F509 HydrophobicContact CD1-CD2 3.86Å; I474-F509 HydrophobicContact CD1-CE2 3.57Å; I474-F509 HydrophobicContact CD1-CZ 4.18Å; I474-F509 HydrophobicContact CG1-CD2 3.88Å; I474-F509 HydrophobicContact CG1-CE2 3.72Å; I474-I525 HydrophobicContact CD1-CB 4.45Å; I474-I525 HydrophobicContact CD1-CD1 3.79Å; I474-I525 HydrophobicContact CD1-CG2 3.99Å; I474-I527 HydrophobicContact CG2-CD1 4.35Å
475	F	97.7	Very high	92.6	Very high	1 Å²	1	38.5 Å²	38.5	0%	0.004	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	126.4	170.3	173.9	-100.7	0	0	0	109	D93 G95 R429 T430 Y431 Q433 P477 N505	D93-F475 WeakPolarHBondContact O-CZ 3.45Å; G95-F475 VanDerWaalsContact CA-CE2 3.45Å; G95-F475 VanDerWaalsContact N-CE2 3.34Å; R429-F475 VanDerWaalsContact O-CD1 3.26Å; R429-F475 WeakPolarHBondContact O-CD1 3.47Å; T430-F475 VanDerWaalsContact CA-O 3.26Å; T430-F475 WeakPolarHBondContact CA-O 3.27Å; T430-F475 VanDerWaalsContact CG2-O 3.32Å; T430-F475 WeakPolarHBondContact CG2-O 3.28Å; Y431-F475 HydrophobicContact CD1-CB 4.16Å; Y431-F475 HydrophobicContact CD1-CD1 4.05Å; Y431-F475 HydrophobicContact CE1-CB 3.95Å; Y431-F475 AromaticContact CE1-CD1 3.86Å; Y431-F475 HydrophobicContact CE1-CD1 3.86Å; Y431-F475 HydrophobicContact CE1-CG 4.17Å; Y431-F475 PolarHBondContact N-O 2.93Å; Y431-F475 PolarHBondContact O-N 3.06Å; Q433-F475 HydrophobicContact CG-CB 4.07Å; F475-P477 HydrophobicContact CE1-CB 3.66Å; F475-P477 HydrophobicContact CE1-CG 3.9Å; F475-P477 HydrophobicContact CZ-CB 3.74Å; F475-P477 HydrophobicContact CZ-CG 4.46Å; F475-N505 CarbonylContact C-O 3.57Å; F475-N505 VanDerWaalsContact CA-O 3.32Å; F475-N505 WeakPolarHBondContact CA-O 3.47Å; F475-N505 HydrophobicContact CD2-CB 3.99Å; F475-N505 VanDerWaalsContact CD2-O 3.26Å; F475-N505 WeakPolarHBondContact CD2-O 3.31Å; F475-N505 HydrophobicContact CE2-CB 3.51Å; F475-N505 HydrophobicContact CZ-CB 4.29Å
476	V	97.2	Very high	93.4	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.204	C	C	.	.			trans	-130.1	98.1	-176.6	-175.2	0	0	0	0	107.9	T430 I474 M478 Y482 V486 N505 M507 I527	T430-V476 HydrophobicContact CG2-CG2 4.08Å; I474-V476 HydrophobicContact CG2-CG2 4.05Å; V476-M478 HydrophobicContact CG1-SD 3.92Å; V476-M478 PolarHBondContact O-N 3.09Å; V476-Y482 HydrophobicContact CG1-CD2 3.47Å; V476-Y482 VanDerWaalsContact CG1-CD2 3.47Å; V476-Y482 HydrophobicContact CG1-CE2 3.5Å; V476-Y482 HydrophobicContact CG1-CG 4.2Å; V476-V486 HydrophobicContact CG1-CG1 4.18Å; V476-N505 PolarHBondContact N-O 2.79Å; V476-N505 WeakPolarHBondContact O-CA 3.35Å; V476-N505 WeakPolarHBondContact O-CB 3.07Å; V476-M507 HydrophobicContact CB-CE 4.09Å; V476-M507 HydrophobicContact CB-CG 4.44Å; V476-M507 HydrophobicContact CB-SD 4.41Å; V476-M507 HydrophobicContact CG1-CE 3.88Å; V476-M507 HydrophobicContact CG2-CB 4.31Å; V476-M507 HydrophobicContact CG2-CE 4.11Å; V476-M507 HydrophobicContact CG2-CG 3.88Å; V476-M507 HydrophobicContact CG2-SD 3.77Å; V476-I527 HydrophobicContact CG2-CD1 3.8Å
477	P	94.1	Very high	94.1	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.191	C	C	.	.			trans	-70.7	86.1	-175.9	28.6	-37.1	0	0	0	111.8	S428 T430 F475 S479 I480 H481 Y482	S428-P477 WeakPolarHBondContact O-CG 3.39Å; T430-P477 WeakPolarHBondContact OG1-CD 3.12Å; F475-P477 HydrophobicContact CE1-CB 3.66Å; F475-P477 HydrophobicContact CE1-CG 3.9Å; F475-P477 HydrophobicContact CZ-CB 3.74Å; F475-P477 HydrophobicContact CZ-CG 4.46Å; P477-S479 PolarHBondContact O-N 3.27Å; P477-I480 HydrophobicContact CB-CB 4.21Å; P477-I480 HydrophobicContact CB-CD1 4.21Å; P477-I480 PolarHBondContact O-N 3.07Å; P477-H481 HydrophobicContact CG-CB 4.29Å; P477-H481 PolarHBondContact O-N 2.74Å; P477-Y482 HydrophobicContact CG-CE2 4.38Å
478	M	92.4	Very high	94.5	Very high	47 Å²	47	34.3 Å²	34.3	23%	0.232	19%	0.192	C	C	.	.	H	α-helix	trans	-60.6	-42.7	-170	-67.5	-63.6	-66.3	0	0	112.6	V476 I480 Y482 P483 V486 T504 N505 M507	V476-M478 HydrophobicContact CG1-SD 3.92Å; V476-M478 PolarHBondContact O-N 3.09Å; M478-I480 VanDerWaalsContact C-N 3.29Å; M478-I480 PolarHBondContact O-N 2.91Å; M478-Y482 CarbonylContact O-C 3.6Å; M478-Y482 WeakPolarHBondContact O-CA 3.28Å; M478-Y482 PolarHBondContact O-N 2.88Å; M478-Y482 VanDerWaalsContact O-O 3.1Å; M478-P483 WeakPolarHBondContact O-CA 3.27Å; M478-V486 HydrophobicContact SD-CG1 4.22Å; M478-T504 VanDerWaalsContact CG-O 3.29Å; M478-T504 WeakPolarHBondContact CG-O 3.35Å; M478-N505 WeakPolarHBondContact CB-OD1 3.47Å; M478-N505 PolarHBondContact N-OD1 2.71Å; M478-N505 VanDerWaalsContact N-OD1 3.14Å; M478-M507 HydrophobicContact SD-CE 4.04Å
479	S	89.3	Confident	94.8	Very high	78 Å²	78	41.2 Å²	41.2	55%	0.545	21%	0.211	S	C	.	.	H	α-helix	trans	-72.7	-19.4	-178.6	52.6	0	0	0	0	114.2	P477	P477-S479 PolarHBondContact O-N 3.27Å
480	I	90.3	Very high	95.1	Very high	38 Å²	38	40.9 Å²	40.9	20%	0.195	21%	0.208	C	C	.	.	H	α-helix	trans	-102	-50.4	-171.9	-57.3	170	0	0	0	110.6	L424 K425 S428 P477 M478	L424-I480 HydrophobicContact CD2-CD1 3.61Å; L424-I480 HydrophobicContact CG-CD1 3.85Å; K425-I480 HydrophobicContact CB-CG2 4.34Å; K425-I480 HydrophobicContact CG-CG2 4.27Å; S428-I480 WeakPolarHBondContact OG-CD1 3.23Å; P477-I480 HydrophobicContact CB-CB 4.21Å; P477-I480 HydrophobicContact CB-CD1 4.21Å; P477-I480 PolarHBondContact O-N 3.07Å; M478-I480 VanDerWaalsContact C-N 3.29Å; M478-I480 PolarHBondContact O-N 2.91Å
481	H	93.6	Very high	95.2	Very high	12 Å²	12	42 Å²	42	6%	0.056	21%	0.214	C	C	.	.	H	α-helix	trans	-110	-16.9	-173.5	-70.1	-78.7	0	0	0	113.9	K425 S428 F444 V446 P477 P483 P529	K425-H481 VanDerWaalsContact CG-CE1 3.41Å; K425-H481 WeakPolarHBondContact CG-CE1 3.34Å; K425-H481 PolarHBondContact O-CE1 3.17Å; K425-H481 PolarHBondContact O-NE2 3.4Å; S428-H481 PolarHBondContact O-CD2 3.02Å; S428-H481 PolarHBondContact O-NE2 3.05Å; S428-H481 VanDerWaalsContact O-NE2 3.14Å; F444-H481 AromaticContact CE1-CE1 3.84Å; F444-H481 AromaticContact CE1-NE2 3.91Å; F444-H481 HydrophobicContact CZ-CB 4.49Å; F444-H481 AromaticContact CZ-CD2 3.79Å; F444-H481 AromaticContact CZ-CE1 3.57Å; F444-H481 AromaticContact CZ-CG 3.73Å; F444-H481 AromaticContact CZ-ND1 3.61Å; F444-H481 AromaticContact CZ-NE2 3.69Å; V446-H481 PolarHBondContact O-CE1 3.22Å; P477-H481 HydrophobicContact CG-CB 4.29Å; P477-H481 PolarHBondContact O-N 2.74Å; H481-P483 VanDerWaalsContact C-CD 3.46Å; H481-P529 WeakPolarHBondContact O-CG 3.36Å
482	Y	94.6	Very high	95.1	Very high	1 Å²	1	42.8 Å²	42.8	0%	0.004	22%	0.219	C	C	.	.			trans	-134.4	47.2	-173.8	-47.2	-83.5	0	0	0	113.5	T430 G449 V476 P477 M478 H484 G485 V486 I527 P529	T430-Y482 WeakPolarHBondContact OG1-CE2 2.85Å; T430-Y482 PolarHBondContact OG1-OH 3.47Å; G449-Y482 VanDerWaalsContact O-CE1 3.27Å; G449-Y482 WeakPolarHBondContact O-CE1 3.39Å; G449-Y482 VanDerWaalsContact O-CZ 3.27Å; G449-Y482 PolarHBondContact O-OH 3Å; V476-Y482 HydrophobicContact CG1-CD2 3.47Å; V476-Y482 VanDerWaalsContact CG1-CD2 3.47Å; V476-Y482 HydrophobicContact CG1-CE2 3.5Å; V476-Y482 HydrophobicContact CG1-CG 4.2Å; P477-Y482 HydrophobicContact CG-CE2 4.38Å; M478-Y482 CarbonylContact O-C 3.6Å; M478-Y482 WeakPolarHBondContact O-CA 3.28Å; M478-Y482 PolarHBondContact O-N 2.88Å; M478-Y482 VanDerWaalsContact O-O 3.1Å; Y482-H484 PolarHBondContact O-N 2.81Å; Y482-G485 WeakPolarHBondContact O-CA 3.29Å; Y482-G485 PolarHBondContact O-N 3.32Å; Y482-V486 HydrophobicContact CD1-CG1 3.58Å; Y482-V486 HydrophobicContact CD2-CG1 4.44Å; Y482-V486 HydrophobicContact CE1-CG1 4.23Å; Y482-V486 HydrophobicContact CG-CG1 3.69Å; Y482-I527 HydrophobicContact CD1-CG2 4.44Å; Y482-I527 HydrophobicContact CE1-CG2 3.86Å; Y482-P529 HydrophobicContact CD1-CB 4.01Å; Y482-P529 HydrophobicContact CD1-CG 3.68Å; Y482-P529 HydrophobicContact CE1-CB 4.46Å; Y482-P529 HydrophobicContact CE1-CG 3.67Å
483	P	91.5	Very high	94.9	Very high	87 Å²	87	51 Å²	51	57%	0.565	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-23.2	-172.3	25.1	-35.4	0	0	0	113.6	M478 H481	M478-P483 WeakPolarHBondContact O-CA 3.27Å; H481-P483 VanDerWaalsContact C-CD 3.46Å
484	H	93.7	Very high	94.7	Very high	99 Å²	99	54.1 Å²	54.1	46%	0.458	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.8	11.6	177.3	-53.4	-56.5	0	0	0	113	Y482 K530 N532	Y482-H484 PolarHBondContact O-N 2.81Å; H484-K530 HydrophobicContact CB-CB 4.33Å; H484-K530 WeakPolarHBondContact O-CB 3.2Å; H484-K530 WeakPolarHBondContact O-CD 3.17Å; H484-N532 PolarHBondContact CD2-OD1 3.26Å; H484-N532 PolarHBondContact CE1-ND2 3.21Å; H484-N532 VanDerWaalsContact CE1-ND2 3.33Å; H484-N532 PolarHBondContact CE1-OD1 2.98Å; H484-N532 PolarHBondContact ND1-OD1 3.18Å; H484-N532 PolarHBondContact NE2-ND2 2.98Å; H484-N532 PolarHBondContact NE2-OD1 2.83Å
485	G	94.3	Very high	94.5	Very high	15 Å²	15	54.4 Å²	54.4	16%	0.155	27%	0.273	C	S	.	.			trans	87.4	-174.7	-176.9	0	0	0	0	0	114.1	Y482 K530	Y482-G485 WeakPolarHBondContact O-CA 3.29Å; Y482-G485 PolarHBondContact O-N 3.32Å; G485-K530 PolarHBondContact O-N 3.21Å
486	V	96.1	Very high	94.4	Very high	14 Å²	14	58.9 Å²	58.9	9%	0.085	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	149.5	-173.1	-59.6	0	0	0	0	112.4	V476 M478 Y482 T488 M507 I527 I528 K530	V476-V486 HydrophobicContact CG1-CG1 4.18Å; M478-V486 HydrophobicContact SD-CG1 4.22Å; Y482-V486 HydrophobicContact CD1-CG1 3.58Å; Y482-V486 HydrophobicContact CD2-CG1 4.44Å; Y482-V486 HydrophobicContact CE1-CG1 4.23Å; Y482-V486 HydrophobicContact CG-CG1 3.69Å; V486-T488 HydrophobicContact CG2-CG2 4.05Å; V486-M507 HydrophobicContact CG1-CE 4.11Å; V486-M507 HydrophobicContact CG2-CE 3.8Å; V486-I527 HydrophobicContact CB-CG2 3.8Å; V486-I527 HydrophobicContact CG1-CG2 3.58Å; V486-I528 CarbonylContact C-O 3.55Å; V486-I528 WeakPolarHBondContact CA-O 3.43Å; V486-K530 WeakPolarHBondContact O-CE 3.4Å
487	K	97	Very high	94.4	Very high	125 Å²	125	62.3 Å²	62.3	54%	0.543	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	137	155.7	-65.5	-179.6	-178.7	174.7	0	107.4	I528 K530	K487-I528 HydrophobicContact CB-CB 4.47Å; K487-I528 PolarHBondContact N-O 2.83Å; K487-I528 PolarHBondContact O-N 3.22Å; K487-K530 HydrophobicContact CD-CG 4.47Å; K487-K530 HydrophobicContact CG-CG 3.7Å
488	T	97.4	Very high	94.4	Very high	49 Å²	49	67.3 Å²	67.3	30%	0.301	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	149.5	-179.7	59.6	0	0	0	0	111.4	V486 F490 Y497 T526 I527	V486-T488 HydrophobicContact CG2-CG2 4.05Å; T488-F490 VanDerWaalsContact CB-CE1 3.5Å; T488-F490 HydrophobicContact CG2-CE1 4.13Å; T488-F490 HydrophobicContact CG2-CZ 3.88Å; T488-F490 WeakPolarHBondContact OG1-CZ 3.11Å; T488-Y497 HydrophobicContact CG2-CE1 3.79Å; T488-T526 VanDerWaalsContact CA-O 3.3Å; T488-T526 WeakPolarHBondContact CA-O 3.42Å; T488-I527 HydrophobicContact CG2-CG1 4.34Å
489	R	97.8	Very high	94.3	Very high	176 Å²	176	68.2 Å²	68.2	66%	0.664	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.5	133.2	169.9	178.7	-177.2	179	-170.6	-1.4	108.3	T526	R489-T526 PolarHBondContact N-O 2.86Å; R489-T526 PolarHBondContact O-N 3.36Å
490	F	97.6	Very high	93.7	Very high	23 Å²	23	70.2 Å²	70.2	10%	0.101	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	145.3	-176.1	-49.5	-45.1	0	0	0	111.6	T488 P492 L495 Y497 F509 E524 I525	T488-F490 VanDerWaalsContact CB-CE1 3.5Å; T488-F490 HydrophobicContact CG2-CE1 4.13Å; T488-F490 HydrophobicContact CG2-CZ 3.88Å; T488-F490 WeakPolarHBondContact OG1-CZ 3.11Å; F490-P492 WeakPolarHBondContact CB-O 3.37Å; F490-L495 HydrophobicContact CB-CB 3.84Å; F490-L495 HydrophobicContact CB-CD2 4.1Å; F490-L495 HydrophobicContact CD1-CD2 3.88Å; F490-L495 HydrophobicContact CD2-CB 4.08Å; F490-L495 HydrophobicContact CD2-CD2 4.49Å; F490-L495 WeakPolarHBondContact CD2-O 3.2Å; F490-L495 HydrophobicContact CE1-CD2 4.48Å; F490-L495 HydrophobicContact CG-CB 4Å; F490-L495 HydrophobicContact CG-CD2 3.9Å; F490-L495 HydrophobicContact CG-CG 4.42Å; F490-Y497 HydrophobicContact CE2-CD1 4.08Å; F490-Y497 HydrophobicContact CE2-CE1 4.46Å; F490-Y497 AromaticContact CZ-CD1 3.59Å; F490-Y497 HydrophobicContact CZ-CD1 3.59Å; F490-Y497 AromaticContact CZ-CE1 3.95Å; F490-Y497 HydrophobicContact CZ-CE1 3.95Å; F490-F509 HydrophobicContact CD1-CE1 4.45Å; F490-F509 HydrophobicContact CE1-CD1 4.2Å; F490-F509 AromaticContact CE1-CE1 3.55Å; F490-F509 HydrophobicContact CE1-CE1 3.55Å; F490-F509 HydrophobicContact CZ-CD1 4.39Å; F490-F509 AromaticContact CZ-CE1 3.79Å; F490-F509 HydrophobicContact CZ-CE1 3.79Å; F490-E524 WeakPolarHBondContact CA-O 3.46Å; F490-I525 HydrophobicContact CD1-CG1 4.36Å; F490-I525 HydrophobicContact CD1-CG2 4.32Å; F490-I525 HydrophobicContact CE1-CG2 4.11Å
491	I	95.7	Very high	92.9	Very high	70 Å²	70	77.3 Å²	77.3	36%	0.359	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	120.4	160.9	-56.6	-175.3	0	0	0	105.8	I523 E524	I491-I523 CarbonylContact O-C 3.52Å; I491-I523 VanDerWaalsContact O-CA 3.25Å; I491-I523 WeakPolarHBondContact O-CA 3.14Å; I491-E524 HydrophobicContact CB-CB 4.02Å; I491-E524 HydrophobicContact CB-CG 4.29Å; I491-E524 HydrophobicContact CG1-CB 4.4Å; I491-E524 PolarHBondContact N-O 2.93Å; I491-E524 PolarHBondContact O-N 2.99Å
492	P	93.9	Very high	91.8	Very high	21 Å²	21	82.5 Å²	82.5	14%	0.136	39%	0.393	C	S	.	.	S	Bend	cis	-70.2	156	-7.1	33.4	-37	0	0	0	112.6	F490 Q494 L495 I511 L515 I520	F490-P492 WeakPolarHBondContact CB-O 3.37Å; P492-Q494 PolarHBondContact O-N 3.4Å; P492-Q494 VanDerWaalsContact O-N 3.16Å; P492-L495 WeakPolarHBondContact O-CB 3.28Å; P492-L495 PolarHBondContact O-N 3.23Å; P492-I511 HydrophobicContact CG-CD1 4.24Å; P492-L515 HydrophobicContact CB-CD2 3.68Å; P492-L515 HydrophobicContact CG-CD2 3.24Å; P492-L515 HydrophobicContact CG-CG 4.34Å; P492-I520 HydrophobicContact CG-CD1 4.25Å
493	E	94.1	Very high	91	Very high	172 Å²	172	83.1 Å²	83.1	80%	0.804	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-20.5	-174	-66.9	-175.5	169.2	0	0	114.1	L495	E493-L495 PolarHBondContact O-N 3.38Å
494	Q	92.6	Very high	90.6	Very high	109 Å²	109	83.1 Å²	83.1	51%	0.509	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-4.9	-179.9	-56.2	86	-18.7	0	0	113.3	P492 P512 L515	P492-Q494 PolarHBondContact O-N 3.4Å; P492-Q494 VanDerWaalsContact O-N 3.16Å; Q494-P512 HydrophobicContact CB-CG 4.47Å; Q494-P512 WeakPolarHBondContact O-CD 3.47Å; Q494-L515 HydrophobicContact CB-CD2 4.02Å
495	L	94.7	Very high	90.5	Very high	5 Å²	5	79 Å²	79	3%	0.026	38%	0.376	C	S	.	.			trans	-59.3	140.3	167.1	-168.8	79	0	0	0	108.8	V471 F490 P492 E493 F509 Y510 I511 I523 I525	V471-L495 HydrophobicContact CG2-CD1 3.78Å; F490-L495 HydrophobicContact CB-CB 3.84Å; F490-L495 HydrophobicContact CB-CD2 4.1Å; F490-L495 HydrophobicContact CD1-CD2 3.88Å; F490-L495 HydrophobicContact CD2-CB 4.08Å; F490-L495 HydrophobicContact CD2-CD2 4.49Å; F490-L495 WeakPolarHBondContact CD2-O 3.2Å; F490-L495 HydrophobicContact CE1-CD2 4.48Å; F490-L495 HydrophobicContact CG-CB 4Å; F490-L495 HydrophobicContact CG-CD2 3.9Å; F490-L495 HydrophobicContact CG-CG 4.42Å; P492-L495 WeakPolarHBondContact O-CB 3.28Å; P492-L495 PolarHBondContact O-N 3.23Å; E493-L495 PolarHBondContact O-N 3.38Å; L495-F509 HydrophobicContact CD2-CB 4.45Å; L495-F509 HydrophobicContact CD2-CD1 3.79Å; L495-F509 HydrophobicContact CG-CD1 4.38Å; L495-Y510 WeakPolarHBondContact CD1-O 3.44Å; L495-I511 HydrophobicContact CD1-CB 4.11Å; L495-I511 HydrophobicContact CD1-CG1 4.48Å; L495-I523 HydrophobicContact CD2-CG2 4.14Å; L495-I525 HydrophobicContact CD2-CD1 3.91Å; L495-I525 HydrophobicContact CD2-CG1 3.62Å
496	Y	95.5	Very high	90.6	Very high	96 Å²	96	79.1 Å²	79.1	38%	0.376	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	168.9	172.8	68.3	-85.9	0	0	0	109.8	A468 F509 Y510 P512	A468-Y496 HydrophobicContact CB-CE1 3.97Å; A468-Y496 WeakPolarHBondContact CB-OH 3.41Å; Y496-F509 WeakPolarHBondContact O-CA 3.11Å; Y496-Y510 HydrophobicContact CD2-CD2 4.43Å; Y496-Y510 AromaticContact CE2-CD2 3.92Å; Y496-Y510 HydrophobicContact CE2-CD2 3.92Å; Y496-Y510 HydrophobicContact CE2-CG 4.1Å; Y496-Y510 VanDerWaalsContact CZ-CB 3.47Å; Y496-Y510 PolarHBondContact N-O 3.32Å; Y496-Y510 VanDerWaalsContact N-O 3.12Å; Y496-Y510 PolarHBondContact O-N 3.22Å; Y496-P512 HydrophobicContact CD1-CG 4.45Å; Y496-P512 HydrophobicContact CE1-CG 4.29Å
497	Y	96.1	Very high	90.6	Very high	72 Å²	72	78.6 Å²	78.6	28%	0.282	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	155.1	177.8	71	-83.5	0	0	0	111.8	T488 F490 V499 M507 F508 F509	T488-Y497 HydrophobicContact CG2-CE1 3.79Å; F490-Y497 HydrophobicContact CE2-CD1 4.08Å; F490-Y497 HydrophobicContact CE2-CE1 4.46Å; F490-Y497 AromaticContact CZ-CD1 3.59Å; F490-Y497 HydrophobicContact CZ-CD1 3.59Å; F490-Y497 AromaticContact CZ-CE1 3.95Å; F490-Y497 HydrophobicContact CZ-CE1 3.95Å; Y497-V499 HydrophobicContact CD2-CG2 4.29Å; Y497-V499 HydrophobicContact CE2-CG2 4.01Å; Y497-M507 HydrophobicContact CD2-CB 4.21Å; Y497-M507 HydrophobicContact CD2-CG 4.04Å; Y497-M507 HydrophobicContact CD2-SD 3.83Å; Y497-M507 HydrophobicContact CE2-CE 4.22Å; Y497-M507 HydrophobicContact CE2-CG 4.32Å; Y497-M507 HydrophobicContact CE2-SD 3.71Å; Y497-F508 CarbonylContact C-O 3.53Å; Y497-F508 WeakPolarHBondContact CA-O 3.42Å; Y497-F508 WeakPolarHBondContact CB-O 3.39Å; Y497-F509 HydrophobicContact CD1-CE1 4.14Å; Y497-F509 HydrophobicContact CG-CE1 4.09Å; Y497-F509 HydrophobicContact CG-CZ 4.33Å
498	E	94.5	Very high	90.5	Very high	104 Å²	104	74 Å²	74	49%	0.486	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	148.5	169.9	-61.9	178.5	176.5	0	0	109	F508 Y510	E498-F508 PolarHBondContact N-O 3.18Å; E498-F508 PolarHBondContact O-N 3.3Å; E498-Y510 HydrophobicContact CB-CE2 4.13Å; E498-Y510 HydrophobicContact CG-CD2 4.35Å; E498-Y510 HydrophobicContact CG-CE2 4.02Å
499	V	89.8	Confident	90.5	Very high	67 Å²	67	71.6 Å²	71.6	41%	0.406	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	136	173.7	-178.7	0	0	0	0	108	Y497 E501 M507	Y497-V499 HydrophobicContact CD2-CG2 4.29Å; Y497-V499 HydrophobicContact CE2-CG2 4.01Å; V499-E501 PolarHBondContact O-N 3.45Å; V499-M507 HydrophobicContact CG2-CG 4.36Å
500	Y	78.1	Confident	90.4	Very high	119 Å²	119	65.5 Å²	65.5	47%	0.467	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	128.6	-179.2	-159.9	-119.3	0	0	0	112	N502 N503 L506 F508	Y500-N502 HydrophobicContact CD1-CB 4.05Å; Y500-N502 HydrophobicContact CE1-CB 3.87Å; Y500-N502 PolarHBondContact O-N 3.1Å; Y500-N502 VanDerWaalsContact O-N 3.1Å; Y500-N503 HydrophobicContact CD1-CB 4.04Å; Y500-N503 CarbonylContact O-C 3.53Å; Y500-N503 VanDerWaalsContact O-C 3.27Å; Y500-N503 PolarHBondContact O-N 2.84Å; Y500-L506 PolarHBondContact N-O 3.07Å; Y500-F508 HydrophobicContact CD2-CD2 4.5Å; Y500-F508 AromaticContact CD2-CE2 3.8Å; Y500-F508 HydrophobicContact CD2-CE2 3.8Å; Y500-F508 HydrophobicContact CD2-CZ 4.02Å; Y500-F508 AromaticContact CG-CE2 3.91Å; Y500-F508 HydrophobicContact CG-CE2 3.91Å; Y500-F508 HydrophobicContact CG-CZ 4.38Å
501	E	72.7	Confident	90.2	Very high	187 Å²	187	64.4 Å²	64.4	87%	0.874	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-35.9	-176.3	-66.2	-176.4	167.9	0	0	113	V499	V499-E501 PolarHBondContact O-N 3.45Å
502	N	70.9	Confident	90	Very high	121 Å²	121	62.5 Å²	62.5	65%	0.647	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98	-3.6	-176.7	-67.8	-31.2	0	0	0	114.4	Y500	Y500-N502 HydrophobicContact CD1-CB 4.05Å; Y500-N502 HydrophobicContact CE1-CB 3.87Å; Y500-N502 PolarHBondContact O-N 3.1Å; Y500-N502 VanDerWaalsContact O-N 3.1Å
503	N	77.5	Confident	89.7	Confident	14 Å²	14	61.5 Å²	61.5	8%	0.075	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	96.6	177.2	-173.5	-1	0	0	0	110.3	Y500 N505 L506	Y500-N503 HydrophobicContact CD1-CB 4.04Å; Y500-N503 CarbonylContact O-C 3.53Å; Y500-N503 VanDerWaalsContact O-C 3.27Å; Y500-N503 PolarHBondContact O-N 2.84Å; N503-N505 PolarHBondContact O-N 2.88Å; N503-N505 WeakPolarHBondContact OD1-CB 3.49Å; N503-N505 PolarHBondContact OD1-N 3.33Å; N503-L506 PolarHBondContact O-N 3.13Å; N503-L506 VanDerWaalsContact O-N 3.15Å
504	T	82.5	Confident	89.3	Confident	88 Å²	88	57.7 Å²	57.7	54%	0.54	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	-12.7	178.4	54.9	0	0	0	0	113.5	M478 L506	M478-T504 VanDerWaalsContact CG-O 3.29Å; M478-T504 WeakPolarHBondContact CG-O 3.35Å; T504-L506 VanDerWaalsContact C-N 3.34Å
505	N	92.9	Very high	88.8	Confident	11 Å²	11	53.7 Å²	53.7	6%	0.059	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	10	178.7	-56.8	-27	0	0	0	113.2	D93 F475 V476 M478 N503	D93-N505 PolarHBondContact O-ND2 2.76Å; F475-N505 CarbonylContact C-O 3.57Å; F475-N505 VanDerWaalsContact CA-O 3.32Å; F475-N505 WeakPolarHBondContact CA-O 3.47Å; F475-N505 HydrophobicContact CD2-CB 3.99Å; F475-N505 VanDerWaalsContact CD2-O 3.26Å; F475-N505 WeakPolarHBondContact CD2-O 3.31Å; F475-N505 HydrophobicContact CE2-CB 3.51Å; F475-N505 HydrophobicContact CZ-CB 4.29Å; V476-N505 PolarHBondContact N-O 2.79Å; V476-N505 WeakPolarHBondContact O-CA 3.35Å; V476-N505 WeakPolarHBondContact O-CB 3.07Å; M478-N505 WeakPolarHBondContact CB-OD1 3.47Å; M478-N505 PolarHBondContact N-OD1 2.71Å; M478-N505 VanDerWaalsContact N-OD1 3.14Å; N503-N505 PolarHBondContact O-N 2.88Å; N503-N505 WeakPolarHBondContact OD1-CB 3.49Å; N503-N505 PolarHBondContact OD1-N 3.33Å
506	L	94.5	Very high	88.2	Confident	19 Å²	19	53.6 Å²	53.6	10%	0.099	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	122.4	177.3	-165.6	65	0	0	0	110.4	E473 Y500 N503 T504 F508	E473-L506 HydrophobicContact CB-CD1 4.38Å; Y500-L506 PolarHBondContact N-O 3.07Å; N503-L506 PolarHBondContact O-N 3.13Å; N503-L506 VanDerWaalsContact O-N 3.15Å; T504-L506 VanDerWaalsContact C-N 3.34Å; L506-F508 HydrophobicContact CB-CE2 4.1Å; L506-F508 HydrophobicContact CD2-CE2 3.44Å; L506-F508 VanDerWaalsContact CD2-CE2 3.44Å; L506-F508 HydrophobicContact CD2-CZ 3.41Å; L506-F508 VanDerWaalsContact CD2-CZ 3.41Å; L506-F508 HydrophobicContact CG-CD2 4.31Å; L506-F508 HydrophobicContact CG-CE2 3.53Å; L506-F508 HydrophobicContact CG-CZ 3.97Å
507	M	96	Very high	87.3	Confident	3 Å²	3	52.1 Å²	52.1	2%	0.015	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	129	176.7	-66.1	-172.2	-174.2	0	0	110.2	E473 I474 V476 M478 V486 Y497 V499 F509 I527	E473-M507 WeakPolarHBondContact CA-O 3.37Å; I474-M507 PolarHBondContact N-O 3.32Å; I474-M507 PolarHBondContact O-N 2.89Å; V476-M507 HydrophobicContact CB-CE 4.09Å; V476-M507 HydrophobicContact CB-CG 4.44Å; V476-M507 HydrophobicContact CB-SD 4.41Å; V476-M507 HydrophobicContact CG1-CE 3.88Å; V476-M507 HydrophobicContact CG2-CB 4.31Å; V476-M507 HydrophobicContact CG2-CE 4.11Å; V476-M507 HydrophobicContact CG2-CG 3.88Å; V476-M507 HydrophobicContact CG2-SD 3.77Å; M478-M507 HydrophobicContact SD-CE 4.04Å; V486-M507 HydrophobicContact CG1-CE 4.11Å; V486-M507 HydrophobicContact CG2-CE 3.8Å; Y497-M507 HydrophobicContact CD2-CB 4.21Å; Y497-M507 HydrophobicContact CD2-CG 4.04Å; Y497-M507 HydrophobicContact CD2-SD 3.83Å; Y497-M507 HydrophobicContact CE2-CE 4.22Å; Y497-M507 HydrophobicContact CE2-CG 4.32Å; Y497-M507 HydrophobicContact CE2-SD 3.71Å; V499-M507 HydrophobicContact CG2-CG 4.36Å; M507-F509 HydrophobicContact CB-CD2 4.33Å; M507-F509 HydrophobicContact CB-CE2 3.51Å; M507-F509 HydrophobicContact CB-CZ 4.01Å; M507-F509 HydrophobicContact SD-CZ 4.37Å; M507-I527 HydrophobicContact SD-CD1 4.42Å
508	F	96.4	Very high	86.5	Confident	27 Å²	27	53 Å²	53	12%	0.118	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	114	-179.6	-70.6	-102.8	0	0	0	108.5	L470 E473 Y497 E498 Y500 L506 Y510	L470-F508 HydrophobicContact CD1-CB 3.88Å; L470-F508 HydrophobicContact CD1-CD1 3.82Å; L470-F508 HydrophobicContact CD1-CG 4.34Å; L470-F508 HydrophobicContact CD2-CD1 4.25Å; E473-F508 HydrophobicContact CG-CD1 3.89Å; E473-F508 HydrophobicContact CG-CE1 3.8Å; E473-F508 WeakPolarHBondContact OE1-CE1 3.17Å; Y497-F508 CarbonylContact C-O 3.53Å; Y497-F508 WeakPolarHBondContact CA-O 3.42Å; Y497-F508 WeakPolarHBondContact CB-O 3.39Å; E498-F508 PolarHBondContact N-O 3.18Å; E498-F508 PolarHBondContact O-N 3.3Å; Y500-F508 HydrophobicContact CD2-CD2 4.5Å; Y500-F508 AromaticContact CD2-CE2 3.8Å; Y500-F508 HydrophobicContact CD2-CE2 3.8Å; Y500-F508 HydrophobicContact CD2-CZ 4.02Å; Y500-F508 AromaticContact CG-CE2 3.91Å; Y500-F508 HydrophobicContact CG-CE2 3.91Å; Y500-F508 HydrophobicContact CG-CZ 4.38Å; L506-F508 HydrophobicContact CB-CE2 4.1Å; L506-F508 HydrophobicContact CD2-CE2 3.44Å; L506-F508 VanDerWaalsContact CD2-CE2 3.44Å; L506-F508 HydrophobicContact CD2-CZ 3.41Å; L506-F508 VanDerWaalsContact CD2-CZ 3.41Å; L506-F508 HydrophobicContact CG-CD2 4.31Å; L506-F508 HydrophobicContact CG-CE2 3.53Å; L506-F508 HydrophobicContact CG-CZ 3.97Å; F508-Y510 HydrophobicContact CB-CE2 3.66Å; F508-Y510 WeakPolarHBondContact O-CD2 3.06Å; F508-Y510 WeakPolarHBondContact O-CE2 3.26Å
509	F	96.7	Very high	85.6	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	129.2	-175.6	-69.9	-95.2	0	0	0	110.7	V471 A472 I474 F490 L495 Y496 Y497 M507 I525 I527	V471-F509 HydrophobicContact CG2-CB 4.14Å; V471-F509 VanDerWaalsContact CG2-O 3.3Å; V471-F509 WeakPolarHBondContact CG2-O 3.49Å; V471-F509 PolarHBondContact N-O 3.39Å; A472-F509 HydrophobicContact CB-CB 4.28Å; A472-F509 PolarHBondContact O-N 2.76Å; I474-F509 HydrophobicContact CB-CD2 4.39Å; I474-F509 HydrophobicContact CB-CE2 3.84Å; I474-F509 HydrophobicContact CD1-CD2 3.86Å; I474-F509 HydrophobicContact CD1-CE2 3.57Å; I474-F509 HydrophobicContact CD1-CZ 4.18Å; I474-F509 HydrophobicContact CG1-CD2 3.88Å; I474-F509 HydrophobicContact CG1-CE2 3.72Å; F490-F509 HydrophobicContact CD1-CE1 4.45Å; F490-F509 HydrophobicContact CE1-CD1 4.2Å; F490-F509 AromaticContact CE1-CE1 3.55Å; F490-F509 HydrophobicContact CE1-CE1 3.55Å; F490-F509 HydrophobicContact CZ-CD1 4.39Å; F490-F509 AromaticContact CZ-CE1 3.79Å; F490-F509 HydrophobicContact CZ-CE1 3.79Å; L495-F509 HydrophobicContact CD2-CB 4.45Å; L495-F509 HydrophobicContact CD2-CD1 3.79Å; L495-F509 HydrophobicContact CG-CD1 4.38Å; Y496-F509 WeakPolarHBondContact O-CA 3.11Å; Y497-F509 HydrophobicContact CD1-CE1 4.14Å; Y497-F509 HydrophobicContact CG-CE1 4.09Å; Y497-F509 HydrophobicContact CG-CZ 4.33Å; M507-F509 HydrophobicContact CB-CD2 4.33Å; M507-F509 HydrophobicContact CB-CE2 3.51Å; M507-F509 HydrophobicContact CB-CZ 4.01Å; M507-F509 HydrophobicContact SD-CZ 4.37Å; F509-I525 HydrophobicContact CB-CD1 4.21Å; F509-I525 HydrophobicContact CD1-CD1 3.74Å; F509-I525 HydrophobicContact CD1-CG1 4.26Å; F509-I525 HydrophobicContact CD1-CG2 4.41Å; F509-I525 HydrophobicContact CD2-CD1 4.22Å; F509-I525 HydrophobicContact CE1-CD1 4.17Å; F509-I525 HydrophobicContact CE1-CG1 4.43Å; F509-I525 HydrophobicContact CE1-CG2 3.77Å; F509-I525 HydrophobicContact CG-CD1 3.77Å; F509-I525 HydrophobicContact CZ-CG2 3.89Å; F509-I527 HydrophobicContact CZ-CD1 4.12Å
510	Y	95.3	Very high	85.2	Confident	48 Å²	48	51.2 Å²	51.2	19%	0.188	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	140.9	-175.8	-63.7	-86.4	0	0	0	111.5	L469 L470 L495 Y496 E498 F508	L469-Y510 CarbonylContact O-C 3.57Å; L469-Y510 VanDerWaalsContact O-CA 3.24Å; L469-Y510 WeakPolarHBondContact O-CA 3.34Å; L470-Y510 HydrophobicContact CB-CD1 4.1Å; L470-Y510 HydrophobicContact CB-CE1 3.83Å; L470-Y510 HydrophobicContact CD1-CD1 4.4Å; L470-Y510 HydrophobicContact CD1-CE1 3.97Å; L470-Y510 HydrophobicContact CD1-CE2 4.49Å; L470-Y510 HydrophobicContact CG-CE1 4.49Å; L495-Y510 WeakPolarHBondContact CD1-O 3.44Å; Y496-Y510 HydrophobicContact CD2-CD2 4.43Å; Y496-Y510 AromaticContact CE2-CD2 3.92Å; Y496-Y510 HydrophobicContact CE2-CD2 3.92Å; Y496-Y510 HydrophobicContact CE2-CG 4.1Å; Y496-Y510 VanDerWaalsContact CZ-CB 3.47Å; Y496-Y510 PolarHBondContact N-O 3.32Å; Y496-Y510 VanDerWaalsContact N-O 3.12Å; Y496-Y510 PolarHBondContact O-N 3.22Å; E498-Y510 HydrophobicContact CB-CE2 4.13Å; E498-Y510 HydrophobicContact CG-CD2 4.35Å; E498-Y510 HydrophobicContact CG-CE2 4.02Å; F508-Y510 HydrophobicContact CB-CE2 3.66Å; F508-Y510 WeakPolarHBondContact O-CD2 3.06Å; F508-Y510 WeakPolarHBondContact O-CE2 3.26Å
511	I	93	Very high	85.7	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	127.8	173.4	-160.2	153.8	0	0	0	110.9	A468 L469 V471 P492 L495 C513 L515 I516 I520 I523	A468-I511 CarbonylContact C-O 3.52Å; A468-I511 VanDerWaalsContact CA-O 3.26Å; A468-I511 WeakPolarHBondContact CA-O 3.46Å; A468-I511 WeakPolarHBondContact CB-O 3.38Å; L469-I511 HydrophobicContact CB-CG2 4.08Å; L469-I511 PolarHBondContact N-O 3.43Å; L469-I511 PolarHBondContact O-N 3.11Å; V471-I511 HydrophobicContact CG1-CB 4.03Å; V471-I511 HydrophobicContact CG1-CG2 3.44Å; V471-I511 VanDerWaalsContact CG1-CG2 3.44Å; P492-I511 HydrophobicContact CG-CD1 4.24Å; L495-I511 HydrophobicContact CD1-CB 4.11Å; L495-I511 HydrophobicContact CD1-CG1 4.48Å; I511-C513 PolarHBondContact O-N 3.45Å; I511-L515 HydrophobicContact CD1-CD2 4.33Å; I511-L515 HydrophobicContact CG1-CD2 4.21Å; I511-I516 HydrophobicContact CD1-CD1 4.37Å; I511-I516 HydrophobicContact CG2-CB 4.49Å; I511-I516 HydrophobicContact CG2-CD1 4.04Å; I511-I520 HydrophobicContact CD1-CD1 3.23Å; I511-I520 HydrophobicContact CG1-CD1 4.13Å; I511-I523 HydrophobicContact CD1-CD1 3.71Å; I511-I523 HydrophobicContact CD1-CG1 4.25Å
512	P	91.7	Very high	86.8	Confident	30 Å²	30	47.3 Å²	47.3	20%	0.195	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60	136.4	175.5	-24.9	34.4	0	0	0	111.8	Q494 Y496 T514 L515 I516	Q494-P512 HydrophobicContact CB-CG 4.47Å; Q494-P512 WeakPolarHBondContact O-CD 3.47Å; Y496-P512 HydrophobicContact CD1-CG 4.45Å; Y496-P512 HydrophobicContact CE1-CG 4.29Å; P512-T514 PolarHBondContact O-N 2.95Å; P512-L515 WeakPolarHBondContact O-CB 3.5Å; P512-L515 PolarHBondContact O-N 2.99Å; P512-I516 PolarHBondContact O-N 3.19Å
513	C	88	Confident	88	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-63.1	-23.8	-180	-76	0	0	0	0	114.1	C462 N464 S467 I511 L515 I516 N517	C462-C513 HydrophobicContact CB-CB 3.4Å; C462-C513 VanDerWaalsContact CB-CB 3.4Å; C462-C513 WeakPolarHBondContact CB-SG 3.3Å; C462-C513 WeakPolarHBondContact SG-CB 3.11Å; C462-C513 CovalentContact SG-SG 2.01Å; C462-C513 PolarHBondContact SG-SG 3.32Å; N464-C513 VanDerWaalsContact O-CB 3.29Å; N464-C513 WeakPolarHBondContact O-CB 3.12Å; N464-C513 PolarHBondContact O-SG 3.39Å; S467-C513 VanDerWaalsContact C-SG 3.59Å; S467-C513 VanDerWaalsContact O-CB 3.24Å; S467-C513 WeakPolarHBondContact O-CB 3.36Å; S467-C513 PolarHBondContact O-N 3.46Å; S467-C513 PolarHBondContact O-SG 3.19Å; S467-C513 PolarHBondContact OG-SG 2.68Å; I511-C513 PolarHBondContact O-N 3.45Å; C513-L515 PolarHBondContact O-N 2.99Å; C513-I516 WeakPolarHBondContact O-CG2 3.39Å; C513-N517 PolarHBondContact O-ND2 2.53Å
514	T	85.6	Confident	89	Confident	91 Å²	91	43 Å²	43	56%	0.558	23%	0.229	S	C	*	.	H	α-helix	trans	-62.3	-29	172.6	49.7	0	0	0	0	112.8	V465 P512	V465-T514 HydrophobicContact CB-CG2 4.48Å; P512-T514 PolarHBondContact O-N 2.95Å
515	L	83	Confident	89.8	Confident	26 Å²	26	38.8 Å²	38.8	14%	0.136	20%	0.204	C	C	.	.	H	α-helix	trans	-92.8	-36.1	-178.2	-165.4	68.4	0	0	0	112.4	P492 Q494 I511 P512 C513 N517 T518 I520	P492-L515 HydrophobicContact CB-CD2 3.68Å; P492-L515 HydrophobicContact CG-CD2 3.24Å; P492-L515 HydrophobicContact CG-CG 4.34Å; Q494-L515 HydrophobicContact CB-CD2 4.02Å; I511-L515 HydrophobicContact CD1-CD2 4.33Å; I511-L515 HydrophobicContact CG1-CD2 4.21Å; P512-L515 WeakPolarHBondContact O-CB 3.5Å; P512-L515 PolarHBondContact O-N 2.99Å; C513-L515 PolarHBondContact O-N 2.99Å; L515-N517 PolarHBondContact O-N 3.09Å; L515-T518 PolarHBondContact O-N 2.87Å; L515-T518 PolarHBondContact O-OG1 3.26Å; L515-I520 HydrophobicContact CB-CD1 4.27Å; L515-I520 HydrophobicContact CD2-CD1 3.93Å; L515-I520 HydrophobicContact CG-CD1 3.64Å; L515-I520 HydrophobicContact CG-CG1 4.25Å; L515-I520 WeakPolarHBondContact O-CG1 3.28Å
516	I	80.7	Confident	90	Very high	3 Å²	3	39.4 Å²	39.4	2%	0.015	21%	0.208	C	C	.	.	H	α-helix	trans	-59.3	-34.8	-179	-157.5	63.3	0	0	0	111.7	P457 Q459 K460 C462 L469 I511 P512 C513 T518 N519 I520	P457-I516 HydrophobicContact CB-CD1 4.33Å; P457-I516 HydrophobicContact CG-CD1 4.43Å; Q459-I516 WeakPolarHBondContact O-CD1 3.42Å; Q459-I516 WeakPolarHBondContact O-CG1 3.07Å; K460-I516 CarbonylContact O-C 3.51Å; C462-I516 HydrophobicContact CB-CG2 3.46Å; C462-I516 VanDerWaalsContact CB-CG2 3.46Å; L469-I516 HydrophobicContact CD1-CG1 4.23Å; L469-I516 HydrophobicContact CD1-CG2 4.17Å; I511-I516 HydrophobicContact CD1-CD1 4.37Å; I511-I516 HydrophobicContact CG2-CB 4.49Å; I511-I516 HydrophobicContact CG2-CD1 4.04Å; P512-I516 PolarHBondContact O-N 3.19Å; C513-I516 WeakPolarHBondContact O-CG2 3.39Å; I516-T518 PolarHBondContact O-N 3.33Å; I516-T518 VanDerWaalsContact O-N 3.13Å; I516-N519 PolarHBondContact O-N 3.29Å; I516-I520 HydrophobicContact CD1-CD1 4.16Å
517	N	77.3	Confident	90.2	Very high	64 Å²	64	38.5 Å²	38.5	34%	0.342	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-4.8	177.6	-66.5	-16.7	0	0	0	113.9	N461 C462 C513 L515	N461-N517 WeakPolarHBondContact CA-OD1 3.39Å; C462-N517 PolarHBondContact N-OD1 3.04Å; C462-N517 PolarHBondContact O-ND2 3.06Å; C462-N517 PolarHBondContact O-OD1 2.89Å; C513-N517 PolarHBondContact O-ND2 2.53Å; L515-N517 PolarHBondContact O-N 3.09Å
518	T	79.6	Confident	90.3	Very high	91 Å²	91	41.6 Å²	41.6	56%	0.558	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.8	19.3	177.9	71.7	0	0	0	0	113.6	L515 I516	L515-T518 PolarHBondContact O-N 2.87Å; L515-T518 PolarHBondContact O-OG1 3.26Å; I516-T518 PolarHBondContact O-N 3.33Å; I516-T518 VanDerWaalsContact O-N 3.13Å
519	N	76.3	Confident	90.4	Very high	111 Å²	111	41.6 Å²	41.6	59%	0.594	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.4	59.9	-179.6	-73.6	-28.5	0	0	0	113.6	I516 E521	I516-N519 PolarHBondContact O-N 3.29Å; N519-E521 PolarHBondContact O-N 2.87Å
520	I	81.5	Confident	90.3	Very high	23 Å²	23	46.3 Å²	46.3	12%	0.118	24%	0.242	C	C	.	.			trans	-64.3	121.3	173.6	-53.5	172.8	0	0	0	109.4	P457 P492 I511 L515 I516 L522 I523	P457-I520 HydrophobicContact CG-CB 4.43Å; P457-I520 HydrophobicContact CG-CG2 4.48Å; P492-I520 HydrophobicContact CG-CD1 4.25Å; I511-I520 HydrophobicContact CD1-CD1 3.23Å; I511-I520 HydrophobicContact CG1-CD1 4.13Å; L515-I520 HydrophobicContact CB-CD1 4.27Å; L515-I520 HydrophobicContact CD2-CD1 3.93Å; L515-I520 HydrophobicContact CG-CD1 3.64Å; L515-I520 HydrophobicContact CG-CG1 4.25Å; L515-I520 WeakPolarHBondContact O-CG1 3.28Å; I516-I520 HydrophobicContact CD1-CD1 4.16Å; I520-L522 WeakPolarHBondContact CG2-O 3.02Å; I520-I523 HydrophobicContact CG2-CG1 4.12Å
521	E	88.2	Confident	89.9	Confident	166 Å²	166	52.6 Å²	52.6	78%	0.776	27%	0.274	S	S	*	.			trans	-87.5	-25.5	-179.7	-62.9	-171.5	159.6	0	0	112.9	V456 N519	V456-E521 WeakPolarHBondContact CG2-O 3.15Å; N519-E521 PolarHBondContact O-N 2.87Å
522	L	94.7	Very high	88.9	Confident	57 Å²	57	61.5 Å²	61.5	30%	0.298	32%	0.321	S	S	.	.			trans	-151	136	-175.6	-166.8	68.3	0	0	0	111	V440 A454 V456 I520 E524	V440-L522 HydrophobicContact CB-CD1 4.35Å; V440-L522 HydrophobicContact CG2-CD1 3.94Å; A454-L522 HydrophobicContact CB-CD1 4.24Å; V456-L522 HydrophobicContact CG2-CD1 4.45Å; I520-L522 WeakPolarHBondContact CG2-O 3.02Å; L522-E524 HydrophobicContact CD2-CG 3.93Å; L522-E524 WeakPolarHBondContact CD2-OE1 3.2Å; L522-E524 HydrophobicContact CG-CG 4.15Å
523	I	96.5	Very high	88.8	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	129.8	166.4	-64.1	172.8	0	0	0	107.7	A454 F455 P457 V471 I491 L495 I511 I520 I525	A454-I523 CarbonylContact C-O 3.33Å; A454-I523 WeakPolarHBondContact CA-O 3.26Å; F455-I523 HydrophobicContact CD1-CB 4.31Å; F455-I523 HydrophobicContact CD1-CG2 4.41Å; F455-I523 HydrophobicContact CE1-CB 3.88Å; F455-I523 HydrophobicContact CE1-CG2 3.62Å; F455-I523 HydrophobicContact CE2-CB 4.13Å; F455-I523 HydrophobicContact CE2-CD1 3.76Å; F455-I523 HydrophobicContact CE2-CG1 4.45Å; F455-I523 HydrophobicContact CE2-CG2 4.48Å; F455-I523 HydrophobicContact CZ-CB 3.79Å; F455-I523 HydrophobicContact CZ-CD1 3.81Å; F455-I523 HydrophobicContact CZ-CG1 4.39Å; F455-I523 HydrophobicContact CZ-CG2 3.67Å; F455-I523 PolarHBondContact N-O 3.07Å; F455-I523 PolarHBondContact O-N 2.95Å; P457-I523 HydrophobicContact CB-CD1 4.04Å; P457-I523 HydrophobicContact CG-CD1 4.08Å; P457-I523 HydrophobicContact CG-CG1 4.38Å; V471-I523 HydrophobicContact CB-CD1 4.39Å; V471-I523 HydrophobicContact CG1-CD1 4.31Å; V471-I523 HydrophobicContact CG2-CD1 4.35Å; I491-I523 CarbonylContact O-C 3.52Å; I491-I523 VanDerWaalsContact O-CA 3.25Å; I491-I523 WeakPolarHBondContact O-CA 3.14Å; L495-I523 HydrophobicContact CD2-CG2 4.14Å; I511-I523 HydrophobicContact CD1-CD1 3.71Å; I511-I523 HydrophobicContact CD1-CG1 4.25Å; I520-I523 HydrophobicContact CG2-CG1 4.12Å; I523-I525 HydrophobicContact CG2-CD1 4.48Å; I523-I525 HydrophobicContact CG2-CG1 4.26Å
524	E	98.4	Very high	88.8	Confident	44 Å²	44	66.4 Å²	66.4	21%	0.206	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	131.5	174.2	-56.1	177.5	-150.3	0	0	110.2	Y452 Y453 A454 F490 I491 L522	Y452-E524 HydrophobicContact CE2-CB 4.25Å; Y452-E524 HydrophobicContact CE2-CG 4.44Å; Y452-E524 PolarHBondContact OH-OE2 2.89Å; Y453-E524 CarbonylContact O-C 3.52Å; Y453-E524 WeakPolarHBondContact O-CA 3.27Å; A454-E524 HydrophobicContact CB-CG 4.08Å; F490-E524 WeakPolarHBondContact CA-O 3.46Å; I491-E524 HydrophobicContact CB-CB 4.02Å; I491-E524 HydrophobicContact CB-CG 4.29Å; I491-E524 HydrophobicContact CG1-CB 4.4Å; I491-E524 PolarHBondContact N-O 2.93Å; I491-E524 PolarHBondContact O-N 2.99Å; L522-E524 HydrophobicContact CD2-CG 3.93Å; L522-E524 WeakPolarHBondContact CD2-OE1 3.2Å; L522-E524 HydrophobicContact CG-CG 4.15Å
525	I	98.7	Very high	89	Confident	0 Å²	0	65 Å²	65	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	118.9	178.1	-63.3	169.4	0	0	0	107.9	F451 Y452 Y453 F455 A472 I474 F490 L495 F509 I523 I527	F451-I525 HydrophobicContact CE1-CG2 4.29Å; Y452-I525 WeakPolarHBondContact CA-O 3.45Å; Y453-I525 PolarHBondContact N-O 2.97Å; Y453-I525 PolarHBondContact O-N 3.03Å; F455-I525 HydrophobicContact CE1-CD1 4.06Å; A472-I525 HydrophobicContact CB-CD1 4.4Å; I474-I525 HydrophobicContact CD1-CB 4.45Å; I474-I525 HydrophobicContact CD1-CD1 3.79Å; I474-I525 HydrophobicContact CD1-CG2 3.99Å; F490-I525 HydrophobicContact CD1-CG1 4.36Å; F490-I525 HydrophobicContact CD1-CG2 4.32Å; F490-I525 HydrophobicContact CE1-CG2 4.11Å; L495-I525 HydrophobicContact CD2-CD1 3.91Å; L495-I525 HydrophobicContact CD2-CG1 3.62Å; F509-I525 HydrophobicContact CB-CD1 4.21Å; F509-I525 HydrophobicContact CD1-CD1 3.74Å; F509-I525 HydrophobicContact CD1-CG1 4.26Å; F509-I525 HydrophobicContact CD1-CG2 4.41Å; F509-I525 HydrophobicContact CD2-CD1 4.22Å; F509-I525 HydrophobicContact CE1-CD1 4.17Å; F509-I525 HydrophobicContact CE1-CG1 4.43Å; F509-I525 HydrophobicContact CE1-CG2 3.77Å; F509-I525 HydrophobicContact CG-CD1 3.77Å; F509-I525 HydrophobicContact CZ-CG2 3.89Å; I523-I525 HydrophobicContact CG2-CD1 4.48Å; I523-I525 HydrophobicContact CG2-CG1 4.26Å; I525-I527 HydrophobicContact CG2-CD1 4.36Å; I525-I527 HydrophobicContact CG2-CG1 4.08Å
526	T	98.7	Very high	89.3	Confident	24 Å²	24	67.3 Å²	67.3	15%	0.147	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	129.8	171.3	-51.8	0	0	0	0	109.6	F451 T488 R489 I528	F451-T526 WeakPolarHBondContact O-CA 3.45Å; T488-T526 VanDerWaalsContact CA-O 3.3Å; T488-T526 WeakPolarHBondContact CA-O 3.42Å; R489-T526 PolarHBondContact N-O 2.86Å; R489-T526 PolarHBondContact O-N 3.36Å; T526-I528 HydrophobicContact CG2-CD1 4.07Å; T526-I528 HydrophobicContact CG2-CG1 3.88Å
527	I	98.5	Very high	89.9	Confident	0 Å²	0	71.3 Å²	71.3	0%	0	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	126.3	176	-54.4	175.1	0	0	0	108	T430 F451 I474 V476 Y482 V486 T488 M507 F509 I525	T430-I527 HydrophobicContact CG2-CD1 4.29Å; F451-I527 HydrophobicContact CB-CB 4.18Å; F451-I527 HydrophobicContact CD1-CB 4.12Å; F451-I527 HydrophobicContact CD1-CD1 3.88Å; F451-I527 HydrophobicContact CD1-CG1 3.91Å; F451-I527 HydrophobicContact CE1-CD1 4.24Å; F451-I527 PolarHBondContact N-O 3.37Å; F451-I527 PolarHBondContact O-N 3.07Å; I474-I527 HydrophobicContact CG2-CD1 4.35Å; V476-I527 HydrophobicContact CG2-CD1 3.8Å; Y482-I527 HydrophobicContact CD1-CG2 4.44Å; Y482-I527 HydrophobicContact CE1-CG2 3.86Å; V486-I527 HydrophobicContact CB-CG2 3.8Å; V486-I527 HydrophobicContact CG1-CG2 3.58Å; T488-I527 HydrophobicContact CG2-CG1 4.34Å; M507-I527 HydrophobicContact SD-CD1 4.42Å; F509-I527 HydrophobicContact CZ-CD1 4.12Å; I525-I527 HydrophobicContact CG2-CD1 4.36Å; I525-I527 HydrophobicContact CG2-CG1 4.08Å
528	I	98	Very high	90.7	Very high	69 Å²	69	71.8 Å²	71.8	35%	0.354	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	136.8	-174.1	-54	174.6	0	0	0	108.4	V450 V486 K487 T526	V450-I528 HydrophobicContact CG2-CG2 4.33Å; V486-I528 CarbonylContact C-O 3.55Å; V486-I528 WeakPolarHBondContact CA-O 3.43Å; K487-I528 HydrophobicContact CB-CB 4.47Å; K487-I528 PolarHBondContact N-O 2.83Å; K487-I528 PolarHBondContact O-N 3.22Å; T526-I528 HydrophobicContact CG2-CD1 4.07Å; T526-I528 HydrophobicContact CG2-CG1 3.88Å
529	P	97.2	Very high	91.5	Very high	27 Å²	27	70.4 Å²	70.4	18%	0.175	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	137.9	172.5	-22.5	34.6	0	0	0	112.9	S448 H481 Y482 Q531	S448-P529 VanDerWaalsContact O-CG 3.29Å; S448-P529 WeakPolarHBondContact O-CG 3.33Å; H481-P529 WeakPolarHBondContact O-CG 3.36Å; Y482-P529 HydrophobicContact CD1-CB 4.01Å; Y482-P529 HydrophobicContact CD1-CG 3.68Å; Y482-P529 HydrophobicContact CE1-CB 4.46Å; Y482-P529 HydrophobicContact CE1-CG 3.67Å; P529-Q531 PolarHBondContact O-N 3.19Å
530	K	95.5	Very high	92.7	Very high	99 Å²	99	67.3 Å²	67.3	43%	0.43	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-68.8	129.4	165.2	-79.4	176.7	171.2	170	0	108.8	H484 G485 V486 K487	H484-K530 HydrophobicContact CB-CB 4.33Å; H484-K530 WeakPolarHBondContact O-CB 3.2Å; H484-K530 WeakPolarHBondContact O-CD 3.17Å; G485-K530 PolarHBondContact O-N 3.21Å; V486-K530 WeakPolarHBondContact O-CE 3.4Å; K487-K530 HydrophobicContact CD-CG 4.47Å; K487-K530 HydrophobicContact CG-CG 3.7Å
531	Q	86.1	Confident	93.6	Very high	180 Å²	180	71 Å²	71	84%	0.841	35%	0.352	S	S	*	.	P	Polyproline II helix	trans	-78	146.5	167.4	-65.1	-177.3	-17	0	0	109.1	P529	P529-Q531 PolarHBondContact O-N 3.19Å
532	N	73.2	Confident	94.1	Very high	186 Å²	186	62.4 Å²	62.4	100%	0.995	31%	0.313	S	S	*	.			trans	-62.3	0	171.9	-81.9	-30.4	0	0	0	112.7	H484	H484-N532 PolarHBondContact CD2-OD1 3.26Å; H484-N532 PolarHBondContact CE1-ND2 3.21Å; H484-N532 VanDerWaalsContact CE1-ND2 3.33Å; H484-N532 PolarHBondContact CE1-OD1 2.98Å; H484-N532 PolarHBondContact ND1-OD1 3.18Å; H484-N532 PolarHBondContact NE2-ND2 2.98Å; H484-N532 PolarHBondContact NE2-OD1 2.83Å

Retrieved 532 of 532 residues in 137.9 ms (Link to these results)

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